date Fri Jun 10 12:06:50 CEST 2011
master hostname n001.leo1
master system Linux n001.leo1 2.6.18-238.9.1.el5 #1 SMP Tue Apr 12 18:10:13 EDT 2011 x86_64 x86_64 x86_64 GNU/Linux
user c71460
output data in /mnt/x4540/hpc-scratch/c71460/leo1/Kilchoanite/Pavlovskyite-FREQ.out
mpirun executable in /usr/site/hpc/x86_64/glibc-2.5/italy/openmpi/1.3.3/intel-11.0/bin
Pcrystal executable in /usr/site/hpc/x86_64/glibc-2.5/italy/crystal/09/intel-11.0/bin/Linux-ifort-11.1_amd64/v1_0_1
input data in /mnt/x4540/hpc-scratch/c71460/leo1/Kilchoanite/tmp_p21551_c71460/Pavlovskyite-FREQ.d12
creating temporary directories /mnt/x4540/hpc-scratch/c71460/leo1/Kilchoanite/tmp_p21551_c71460
copying input file to file INPUT
CRYSTAL data /mnt/x4540/hpc-scratch/c71460/leo1/Kilchoanite/tmp_p21551_c71460/Pavlovskyite-FREQ.f9 not found or empty
Pavlovskyite Ca8Si5O18, PBE(n=6) optimized
CRYSTAL
1 0 0
 P b c n
     5.11714370    11.47758720    28.82579308    
17
 14     -0.42843406469020   0.40486136305720   0.44246770640880
 14      0.44080501991100  -0.40628378827460   0.32735841486850
 14     -0.50000000000000  -0.23965746656240   0.25000000000000
 20      0.49731297084830  -0.28294303515560   0.44227031509640
 20      0.00000000000000  -0.50000000000000  -0.50000000000000
 20     -0.00544532300715   0.48922657391460   0.37821704761160
 20     -0.49455626447390   0.28357488730270   0.33058462344510
 20      0.00000000000000  -0.48646992733310   0.25000000000000
  8     -0.29404874983260  -0.46318155055050   0.44035394653010
  8     -0.29534366741420   0.33621295939980   0.39792638653380
  8     -0.29690580031740   0.34208589611430   0.48854865330980
  8      0.25183879904310   0.40513895543720   0.44094108485090
  8      0.29791566323260  -0.34409346758490   0.37184718677600
  8      0.30752043933210   0.46597107897540   0.32088276274010
  8      0.31116725500400  -0.32958428319390   0.28154331936490
  8     -0.24331065832810  -0.40141129684490   0.32400190383360
  8     -0.32337861505530  -0.15816964690000   0.28240205445970
FREQCALC
RESTART
ANALYSIS
ENDFREQ
END      
20 7                     ! Ca(2+) 86-511G(21), optimized in Ca6Si4O14 with PBE(n=6)
0  0  8  2.0  1.0
  191300.0       0.0002204
   26970.0       0.001925
    5696.0       0.01109
    1489.4       0.04995
     448.3       0.17014
     154.62      0.3685
      60.37      0.4034
      25.09      0.1452
0  1  6  8.0  1.0
     448.6      -0.00575  0.00847
     105.7      -0.0767   0.06027
      34.69     -0.1122   0.2124
      13.50      0.2537   0.3771
       5.820     0.688    0.401
       1.819     0.349    0.198
0  1  5  8.0  1.0
      20.75     -0.0020  -0.0365
       8.40     -0.1255  -0.0685
       3.597    -0.6960   0.1570
       1.408     1.029    1.482
       0.726     0.944    1.025
0  1  1  0.0  1.0
       0.463     1.0000   1.0000
0  1  1  0.0  1.0
       0.279     1.0000   1.0000
0  3  2  0.0  1.0
       3.922     0.139
       1.095     0.326
0  3  1  0.0  1.0
       0.343     0.427
14  6            ! Si(4+)  86-311G(1), optimized in Ca6Si4O14 with PBE(n=6)
 0 0 8  2.0  1.0
 87645.8        0.000237
 12851.8        0.00192
 2786.28        0.0109
  728.043       0.0496
  219.516       0.1668
   75.9006      0.363
   29.4602      0.4051
   11.9891      0.1504
 0 1 6  8.0  1.0
  165.958      -0.00884     0.00909
   39.3727     -0.0859      0.0601
   12.7112     -0.0712      0.1952
    4.7177      0.4147      0.3384
    1.8482      0.6168      0.3006
    0.7365      0.1154      0.0648
 0 1 3  0.0  1.0
    4.1752     -0.0199     -0.0087
    1.4472     -0.1864     -0.00438
    0.5023      0.0967      0.2207
 0 1 1  0.0  1.0
    0.333       1.0000      1.0000
 0 1 1  0.0  1.0
    0.13        1.0000      1.0000
 0 3 1  0.0  1.0
    0.682       1.0000
8   5            ! O(2-)  84-11G(1), optimized in Ca6Si4O14 with PBE(n=6)
 0 0 8  2.0  1.0
 8020.0         0.00108
 1338.0         0.00804
  255.4         0.05324
   69.22        0.1681
   23.90        0.3581
    9.264       0.3855
    3.851       0.1468
    1.212       0.0728
 0 1 4  8.0  1.0
   49.43       -0.00883     0.00958
   10.47       -0.0915      0.0696
    3.235      -0.0402      0.2065
    1.217       0.379       0.347
 0 1 1  0.0  1.0
    0.460       1.0000      1.0000
 0 1 1  0.0  1.0
    0.170       1.0000      1.0000
 0 3 1  0.0  1.0
    0.556       1.0000
99 0
ENDBASIS
DFT
XLGRID
EXCHANGE 
PBE  
CORRELAT
PBE  
HYBRID 
16.667  
ENDDFT
SCFDIR
SHRINK
4 4    
TOLINTEG
7 7 7 7 15 
TOLDEE
10
FMIXING
80
BROYDEN
0.0001 50 2
MAXCYCLE 
200
BIPOSIZE 
6818200
EXCHSIZE 
6992232
ENDRUN
END Fri Jun 10 12:06:50 CEST 2011
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/bin/bash: error importing function definition for `module'
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 *******************************************************************************
 *                                                                             *
 *                                CRYSTAL09                                    *
 *                              public : 1.0                                   *
 *                      March 5th, 2010 - parallel executable                  *
 *                                                                             *
 *                                                                             *
 *                                                                             *
 *                              MAIN AUTHORS                                   *
 *                                                                             *
 *    R. DOVESI(1,10), V.R. SAUNDERS(2), C. ROETTI(1,10), R. ORLANDO (1,3),    *
 *  C.M. ZICOVICH-WILSON(1,4), F. PASCALE(5), B. CIVALLERI(1,10), K. DOLL(6),  *
 *       N.M. HARRISON(2,7), I. J. BUSH(2), Ph. D'ARCO(8), M. LLUNELL(9)       *
 *                                                                             *
 * (1) THEORETICAL CHEMISTRY GROUP - UNIVERSITA' DI TORINO - TORINO (ITALY)    *
 *      http://www.crystal.unito.it                                            *
 * (2) COMPUTATIONAL SCIENCE & ENGINEERING DEPARTMENT - CCLRC DARESBURY (UK)   *
 *     http://www.cse.clrc.ac.uk/cmg/CRYSTAL/                                  *
 * (3) UNIVERSITA' DEL PIEMONTE ORIENTALE - ALESSANDRIA (ITALY)                *
 * (4) UNIVERSIDAD AUTONOMA DEL ESTADO DE MORELOS - CUERNAVACA (MEXICO)        *
 * (5) UNIVERSITE' HENRI POINCARE' - NANCY (FRANCE)                            *
 * (6) MPI FUER FESTKOERPERFORSCHUNG - STUTTGART (GERMANY)                     *
 * (7) IMPERIAL COLLEGE - LONDON (UK)                                          *
 * (8) UNIVERSITE' PIERRE ET MARIE CURIE - PARIS (FRANCE)                      *
 * (9) UNIVERSIDAD DE BARCELONA - BARCELONA (SPAIN)                            *
 *(10) NIS - NANOSTRUCTURED INTERFACES AND SURFACES - TORINO (ITALY)           *
 *     http://www.crystal.unito.it                                             *
 *******************************************************************************
 EEEEEEEEEE STARTING  DATE 10 06 2011 TIME 12:06:52.0
 Pavlovskyite Ca8Si5O18, PBE(n=6) optimized                                      

 CRYSTAL CALCULATION
 (INPUT ACCORDING TO THE INTERNATIONAL TABLES FOR X-RAY CRYSTALLOGRAPHY)
 CRYSTAL FAMILY                       :  ORTHORHOMBIC
 CRYSTAL CLASS  (GROTH - 1921)        :  ORTHORHOMBIC BIPYRAMIDAL             

 SPACE GROUP (CENTROSYMMETRIC)        :  P B C N         

 LATTICE PARAMETERS  (ANGSTROMS AND DEGREES) - CONVENTIONAL CELL
        A           B           C        ALPHA        BETA       GAMMA
     5.11714    11.47759    28.82579    90.00000    90.00000    90.00000


 NUMBER OF IRREDUCIBLE ATOMS IN THE CONVENTIONAL CELL:   17

 INPUT COORDINATES

 ATOM AT. N.              COORDINATES
   1  14    -4.284340646902E-01  4.048613630572E-01  4.424677064088E-01
   2  14     4.408050199110E-01 -4.062837882746E-01  3.273584148685E-01
   3  14    -5.000000000000E-01 -2.396574665624E-01  2.500000000000E-01
   4  20     4.973129708483E-01 -2.829430351556E-01  4.422703150964E-01
   5  20     0.000000000000E+00 -5.000000000000E-01 -5.000000000000E-01
   6  20    -5.445323007150E-03  4.892265739146E-01  3.782170476116E-01
   7  20    -4.945562644739E-01  2.835748873027E-01  3.305846234451E-01
   8  20     0.000000000000E+00 -4.864699273331E-01  2.500000000000E-01
   9   8    -2.940487498326E-01 -4.631815505505E-01  4.403539465301E-01
  10   8    -2.953436674142E-01  3.362129593998E-01  3.979263865338E-01
  11   8    -2.969058003174E-01  3.420858961143E-01  4.885486533098E-01
  12   8     2.518387990431E-01  4.051389554372E-01  4.409410848509E-01
  13   8     2.979156632326E-01 -3.440934675849E-01  3.718471867760E-01
  14   8     3.075204393321E-01  4.659710789754E-01  3.208827627401E-01
  15   8     3.111672550040E-01 -3.295842831939E-01  2.815433193649E-01
  16   8    -2.433106583281E-01 -4.014112968449E-01  3.240019038336E-01
  17   8    -3.233786150553E-01 -1.581696469000E-01  2.824020544597E-01

 *******************************************************************************

 << INFORMATION >>: FROM NOW ON, ALL COORDINATES REFER TO THE PRIMITIVE CELL

 *******************************************************************************

 LATTICE PARAMETERS  (ANGSTROMS AND DEGREES) - PRIMITIVE CELL
       A          B          C         ALPHA     BETA     GAMMA        VOLUME
    5.11714   11.47759   28.82579    90.00000  90.00000  90.00000   1693.009826

 COORDINATES OF THE EQUIVALENT ATOMS (FRACTIONAL UNITS)

 N. ATOM EQUIV AT. N.          X                  Y                  Z

   1   1   1   14 SI   -4.28434064690E-01  4.04861363057E-01  4.42467706409E-01
   2   1   2   14 SI   -7.15659353098E-02  9.51386369428E-02 -5.75322935912E-02
   3   1   3   14 SI    7.15659353098E-02  9.51386369428E-02 -4.42467706409E-01
   4   1   4   14 SI    4.28434064690E-01  4.04861363057E-01  5.75322935912E-02
   5   1   5   14 SI    4.28434064690E-01 -4.04861363057E-01 -4.42467706409E-01
   6   1   6   14 SI    7.15659353098E-02 -9.51386369428E-02  5.75322935912E-02
   7   1   7   14 SI   -7.15659353098E-02 -9.51386369428E-02  4.42467706409E-01
   8   1   8   14 SI   -4.28434064690E-01 -4.04861363057E-01 -5.75322935912E-02

   9   2   1   14 SI    4.40805019911E-01 -4.06283788275E-01  3.27358414868E-01
  10   2   2   14 SI    5.91949800890E-02 -9.37162117254E-02 -1.72641585131E-01
  11   2   3   14 SI   -5.91949800890E-02 -9.37162117254E-02 -3.27358414868E-01
  12   2   4   14 SI   -4.40805019911E-01 -4.06283788275E-01  1.72641585132E-01
  13   2   5   14 SI   -4.40805019911E-01  4.06283788275E-01 -3.27358414868E-01
  14   2   6   14 SI   -5.91949800890E-02  9.37162117254E-02  1.72641585132E-01
  15   2   7   14 SI    5.91949800890E-02  9.37162117254E-02  3.27358414868E-01
  16   2   8   14 SI    4.40805019911E-01  4.06283788275E-01 -1.72641585131E-01

  17   3   1   14 SI    5.00000000000E-01 -2.39657466562E-01  2.50000000000E-01
  18   3   2   14 SI    0.00000000000E+00 -2.60342533438E-01 -2.50000000000E-01
  19   3   3   14 SI   -5.00000000000E-01  2.39657466562E-01 -2.50000000000E-01
  20   3   4   14 SI    0.00000000000E+00  2.60342533438E-01  2.50000000000E-01

  21   4   1   20 CA    4.97312970848E-01 -2.82943035156E-01  4.42270315096E-01
  22   4   2   20 CA    2.68702915170E-03 -2.17056964844E-01 -5.77296849036E-02
  23   4   3   20 CA   -2.68702915170E-03 -2.17056964844E-01 -4.42270315096E-01
  24   4   4   20 CA   -4.97312970848E-01 -2.82943035156E-01  5.77296849036E-02
  25   4   5   20 CA   -4.97312970848E-01  2.82943035156E-01 -4.42270315096E-01
  26   4   6   20 CA   -2.68702915170E-03  2.17056964844E-01  5.77296849036E-02
  27   4   7   20 CA    2.68702915170E-03  2.17056964844E-01  4.42270315096E-01
  28   4   8   20 CA    4.97312970848E-01  2.82943035156E-01 -5.77296849036E-02

  29   5   1   20 CA    0.00000000000E+00  5.00000000000E-01  5.00000000000E-01
  30   5   2   20 CA   -5.00000000000E-01  0.00000000000E+00  0.00000000000E+00
  31   5   3   20 CA   -5.00000000000E-01  0.00000000000E+00 -5.00000000000E-01
  32   5   4   20 CA    0.00000000000E+00  5.00000000000E-01  0.00000000000E+00

  33   6   1   20 CA   -5.44532300715E-03  4.89226573915E-01  3.78217047612E-01
  34   6   2   20 CA   -4.94554676993E-01  1.07734260854E-02 -1.21782952388E-01
  35   6   3   20 CA    4.94554676993E-01  1.07734260854E-02 -3.78217047612E-01
  36   6   4   20 CA    5.44532300715E-03  4.89226573915E-01  1.21782952388E-01
  37   6   5   20 CA    5.44532300715E-03 -4.89226573915E-01 -3.78217047612E-01
  38   6   6   20 CA    4.94554676993E-01 -1.07734260854E-02  1.21782952388E-01
  39   6   7   20 CA   -4.94554676993E-01 -1.07734260854E-02  3.78217047612E-01
  40   6   8   20 CA   -5.44532300715E-03 -4.89226573915E-01 -1.21782952388E-01

  41   7   1   20 CA   -4.94556264474E-01  2.83574887303E-01  3.30584623445E-01
  42   7   2   20 CA   -5.44373552610E-03  2.16425112697E-01 -1.69415376555E-01
  43   7   3   20 CA    5.44373552610E-03  2.16425112697E-01 -3.30584623445E-01
  44   7   4   20 CA    4.94556264474E-01  2.83574887303E-01  1.69415376555E-01
  45   7   5   20 CA    4.94556264474E-01 -2.83574887303E-01 -3.30584623445E-01
  46   7   6   20 CA    5.44373552610E-03 -2.16425112697E-01  1.69415376555E-01
  47   7   7   20 CA   -5.44373552610E-03 -2.16425112697E-01  3.30584623445E-01
  48   7   8   20 CA   -4.94556264474E-01 -2.83574887303E-01 -1.69415376555E-01

  49   8   1   20 CA    0.00000000000E+00 -4.86469927333E-01  2.50000000000E-01
  50   8   2   20 CA   -5.00000000000E-01 -1.35300726669E-02 -2.50000000000E-01
  51   8   3   20 CA    0.00000000000E+00  4.86469927333E-01 -2.50000000000E-01
  52   8   4   20 CA   -5.00000000000E-01  1.35300726669E-02  2.50000000000E-01

  53   9   1    8 O    -2.94048749833E-01 -4.63181550550E-01  4.40353946530E-01
  54   9   2    8 O    -2.05951250167E-01 -3.68184494495E-02 -5.96460534699E-02
  55   9   3    8 O     2.05951250167E-01 -3.68184494495E-02 -4.40353946530E-01
  56   9   4    8 O     2.94048749833E-01 -4.63181550550E-01  5.96460534699E-02
  57   9   5    8 O     2.94048749833E-01  4.63181550550E-01 -4.40353946530E-01
  58   9   6    8 O     2.05951250167E-01  3.68184494495E-02  5.96460534699E-02
  59   9   7    8 O    -2.05951250167E-01  3.68184494495E-02  4.40353946530E-01
  60   9   8    8 O    -2.94048749833E-01  4.63181550550E-01 -5.96460534699E-02

  61  10   1    8 O    -2.95343667414E-01  3.36212959400E-01  3.97926386534E-01
  62  10   2    8 O    -2.04656332586E-01  1.63787040600E-01 -1.02073613466E-01
  63  10   3    8 O     2.04656332586E-01  1.63787040600E-01 -3.97926386534E-01
  64  10   4    8 O     2.95343667414E-01  3.36212959400E-01  1.02073613466E-01
  65  10   5    8 O     2.95343667414E-01 -3.36212959400E-01 -3.97926386534E-01
  66  10   6    8 O     2.04656332586E-01 -1.63787040600E-01  1.02073613466E-01
  67  10   7    8 O    -2.04656332586E-01 -1.63787040600E-01  3.97926386534E-01
  68  10   8    8 O    -2.95343667414E-01 -3.36212959400E-01 -1.02073613466E-01

  69  11   1    8 O    -2.96905800317E-01  3.42085896114E-01  4.88548653310E-01
  70  11   2    8 O    -2.03094199683E-01  1.57914103886E-01 -1.14513466902E-02
  71  11   3    8 O     2.03094199683E-01  1.57914103886E-01 -4.88548653310E-01
  72  11   4    8 O     2.96905800317E-01  3.42085896114E-01  1.14513466902E-02
  73  11   5    8 O     2.96905800317E-01 -3.42085896114E-01 -4.88548653310E-01
  74  11   6    8 O     2.03094199683E-01 -1.57914103886E-01  1.14513466902E-02
  75  11   7    8 O    -2.03094199683E-01 -1.57914103886E-01  4.88548653310E-01
  76  11   8    8 O    -2.96905800317E-01 -3.42085896114E-01 -1.14513466902E-02

  77  12   1    8 O     2.51838799043E-01  4.05138955437E-01  4.40941084851E-01
  78  12   2    8 O     2.48161200957E-01  9.48610445628E-02 -5.90589151491E-02
  79  12   3    8 O    -2.48161200957E-01  9.48610445628E-02 -4.40941084851E-01
  80  12   4    8 O    -2.51838799043E-01  4.05138955437E-01  5.90589151491E-02
  81  12   5    8 O    -2.51838799043E-01 -4.05138955437E-01 -4.40941084851E-01
  82  12   6    8 O    -2.48161200957E-01 -9.48610445628E-02  5.90589151491E-02
  83  12   7    8 O     2.48161200957E-01 -9.48610445628E-02  4.40941084851E-01
  84  12   8    8 O     2.51838799043E-01 -4.05138955437E-01 -5.90589151491E-02

  85  13   1    8 O     2.97915663233E-01 -3.44093467585E-01  3.71847186776E-01
  86  13   2    8 O     2.02084336767E-01 -1.55906532415E-01 -1.28152813224E-01
  87  13   3    8 O    -2.02084336767E-01 -1.55906532415E-01 -3.71847186776E-01
  88  13   4    8 O    -2.97915663233E-01 -3.44093467585E-01  1.28152813224E-01
  89  13   5    8 O    -2.97915663233E-01  3.44093467585E-01 -3.71847186776E-01
  90  13   6    8 O    -2.02084336767E-01  1.55906532415E-01  1.28152813224E-01
  91  13   7    8 O     2.02084336767E-01  1.55906532415E-01  3.71847186776E-01
  92  13   8    8 O     2.97915663233E-01  3.44093467585E-01 -1.28152813224E-01

  93  14   1    8 O     3.07520439332E-01  4.65971078975E-01  3.20882762740E-01
  94  14   2    8 O     1.92479560668E-01  3.40289210246E-02 -1.79117237260E-01
  95  14   3    8 O    -1.92479560668E-01  3.40289210246E-02 -3.20882762740E-01
  96  14   4    8 O    -3.07520439332E-01  4.65971078975E-01  1.79117237260E-01
  97  14   5    8 O    -3.07520439332E-01 -4.65971078975E-01 -3.20882762740E-01
  98  14   6    8 O    -1.92479560668E-01 -3.40289210246E-02  1.79117237260E-01
  99  14   7    8 O     1.92479560668E-01 -3.40289210246E-02  3.20882762740E-01
 100  14   8    8 O     3.07520439332E-01 -4.65971078975E-01 -1.79117237260E-01

 101  15   1    8 O     3.11167255004E-01 -3.29584283194E-01  2.81543319365E-01
 102  15   2    8 O     1.88832744996E-01 -1.70415716806E-01 -2.18456680635E-01
 103  15   3    8 O    -1.88832744996E-01 -1.70415716806E-01 -2.81543319365E-01
 104  15   4    8 O    -3.11167255004E-01 -3.29584283194E-01  2.18456680635E-01
 105  15   5    8 O    -3.11167255004E-01  3.29584283194E-01 -2.81543319365E-01
 106  15   6    8 O    -1.88832744996E-01  1.70415716806E-01  2.18456680635E-01
 107  15   7    8 O     1.88832744996E-01  1.70415716806E-01  2.81543319365E-01
 108  15   8    8 O     3.11167255004E-01  3.29584283194E-01 -2.18456680635E-01

 109  16   1    8 O    -2.43310658328E-01 -4.01411296845E-01  3.24001903834E-01
 110  16   2    8 O    -2.56689341672E-01 -9.85887031551E-02 -1.75998096166E-01
 111  16   3    8 O     2.56689341672E-01 -9.85887031551E-02 -3.24001903834E-01
 112  16   4    8 O     2.43310658328E-01 -4.01411296845E-01  1.75998096166E-01
 113  16   5    8 O     2.43310658328E-01  4.01411296845E-01 -3.24001903834E-01
 114  16   6    8 O     2.56689341672E-01  9.85887031551E-02  1.75998096166E-01
 115  16   7    8 O    -2.56689341672E-01  9.85887031551E-02  3.24001903834E-01
 116  16   8    8 O    -2.43310658328E-01  4.01411296845E-01 -1.75998096166E-01

 117  17   1    8 O    -3.23378615055E-01 -1.58169646900E-01  2.82402054460E-01
 118  17   2    8 O    -1.76621384945E-01 -3.41830353100E-01 -2.17597945540E-01
 119  17   3    8 O     1.76621384945E-01 -3.41830353100E-01 -2.82402054460E-01
 120  17   4    8 O     3.23378615055E-01 -1.58169646900E-01  2.17597945540E-01
 121  17   5    8 O     3.23378615055E-01  1.58169646900E-01 -2.82402054460E-01
 122  17   6    8 O     1.76621384945E-01  3.41830353100E-01  2.17597945540E-01
 123  17   7    8 O    -1.76621384945E-01  3.41830353100E-01  2.82402054460E-01
 124  17   8    8 O    -3.23378615055E-01  1.58169646900E-01 -2.17597945540E-01

 NUMBER OF SYMMETRY OPERATORS         :    8
 *******************************************************************************
 * GEOMETRY EDITING - INPUT COORDINATES ARE GIVEN IN ANGSTROM         
 *******************************************************************************

 GEOMETRY NOW FULLY CONSISTENT WITH THE GROUP

 FRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQFRQ

                       FREQUENCY CALCULATION

 INFORMATION **** INPFREQ **** FREQUENCY CALCULATION RESTART(DATA FROM FREQINFO.DAT)
 INFORMATION **** INPFREQ ****  ANALYSIS OF THE VIBRATIONAL MODES

 GCALCO - MAX INDICES DIRECT LATTICE VECTOR    34    15     6
 NO.OF VECTORS CREATED 6999 STARS 1097 RMAX   267.49094 BOHR

 GEOMETRY FOR WAVE FUNCTION - DIMENSIONALITY OF THE SYSTEM    3
 (NON PERIODIC DIRECTION: LATTICE PARAMETER FORMALLY SET TO 500)
 *******************************************************************************
 LATTICE PARAMETERS (ANGSTROMS AND DEGREES) - BOHR = 0.5291772083 ANGSTROM
 PRIMITIVE CELL - CENTRING CODE 1/0 VOLUME=  1693.009826 - DENSITY  2.933 g/cm^3
         A              B              C           ALPHA      BETA       GAMMA 
     5.11714370    11.47758720    28.82579308    90.000000  90.000000  90.000000
 *******************************************************************************
 ATOMS IN THE ASYMMETRIC UNIT   17 - ATOMS IN THE UNIT CELL:  124
     ATOM              X/A                 Y/B                 Z/C    
 *******************************************************************************
   1 T  14 SI   -4.284340646902E-01  4.048613630572E-01  4.424677064088E-01
   2 F  14 SI   -7.156593530980E-02  9.513863694280E-02 -5.753229359120E-02
   3 F  14 SI    7.156593530980E-02  9.513863694280E-02 -4.424677064088E-01
   4 F  14 SI    4.284340646902E-01  4.048613630572E-01  5.753229359120E-02
   5 F  14 SI    4.284340646902E-01 -4.048613630572E-01 -4.424677064088E-01
   6 F  14 SI    7.156593530980E-02 -9.513863694280E-02  5.753229359120E-02
   7 F  14 SI   -7.156593530980E-02 -9.513863694280E-02  4.424677064088E-01
   8 F  14 SI   -4.284340646902E-01 -4.048613630572E-01 -5.753229359120E-02
   9 T  14 SI    4.408050199110E-01 -4.062837882746E-01  3.273584148685E-01
  10 F  14 SI    5.919498008900E-02 -9.371621172540E-02 -1.726415851315E-01
  11 F  14 SI   -5.919498008900E-02 -9.371621172540E-02 -3.273584148685E-01
  12 F  14 SI   -4.408050199110E-01 -4.062837882746E-01  1.726415851315E-01
  13 F  14 SI   -4.408050199110E-01  4.062837882746E-01 -3.273584148685E-01
  14 F  14 SI   -5.919498008900E-02  9.371621172540E-02  1.726415851315E-01
  15 F  14 SI    5.919498008900E-02  9.371621172540E-02  3.273584148685E-01
  16 F  14 SI    4.408050199110E-01  4.062837882746E-01 -1.726415851315E-01
  17 T  14 SI    5.000000000000E-01 -2.396574665624E-01  2.500000000000E-01
  18 F  14 SI    0.000000000000E+00 -2.603425334376E-01 -2.500000000000E-01
  19 F  14 SI    5.000000000000E-01  2.396574665624E-01 -2.500000000000E-01
  20 F  14 SI    0.000000000000E+00  2.603425334376E-01  2.500000000000E-01
  21 T  20 CA    4.973129708483E-01 -2.829430351556E-01  4.422703150964E-01
  22 F  20 CA    2.687029151700E-03 -2.170569648444E-01 -5.772968490360E-02
  23 F  20 CA   -2.687029151700E-03 -2.170569648444E-01 -4.422703150964E-01
  24 F  20 CA   -4.973129708483E-01 -2.829430351556E-01  5.772968490360E-02
  25 F  20 CA   -4.973129708483E-01  2.829430351556E-01 -4.422703150964E-01
  26 F  20 CA   -2.687029151700E-03  2.170569648444E-01  5.772968490360E-02
  27 F  20 CA    2.687029151700E-03  2.170569648444E-01  4.422703150964E-01
  28 F  20 CA    4.973129708483E-01  2.829430351556E-01 -5.772968490360E-02
  29 T  20 CA    0.000000000000E+00 -5.000000000000E-01 -5.000000000000E-01
  30 F  20 CA    5.000000000000E-01  0.000000000000E+00 -6.162386701626E-17
  31 F  20 CA    5.000000000000E-01  0.000000000000E+00 -5.000000000000E-01
  32 F  20 CA    0.000000000000E+00 -5.000000000000E-01 -1.110223024625E-16
  33 T  20 CA   -5.445323007150E-03  4.892265739146E-01  3.782170476116E-01
  34 F  20 CA   -4.945546769928E-01  1.077342608540E-02 -1.217829523884E-01
  35 F  20 CA    4.945546769928E-01  1.077342608540E-02 -3.782170476116E-01
  36 F  20 CA    5.445323007150E-03  4.892265739146E-01  1.217829523884E-01
  37 F  20 CA    5.445323007150E-03 -4.892265739146E-01 -3.782170476116E-01
  38 F  20 CA    4.945546769928E-01 -1.077342608540E-02  1.217829523884E-01
  39 F  20 CA   -4.945546769928E-01 -1.077342608540E-02  3.782170476116E-01
  40 F  20 CA   -5.445323007150E-03 -4.892265739146E-01 -1.217829523884E-01
  41 T  20 CA   -4.945562644739E-01  2.835748873027E-01  3.305846234451E-01
  42 F  20 CA   -5.443735526100E-03  2.164251126973E-01 -1.694153765549E-01
  43 F  20 CA    5.443735526100E-03  2.164251126973E-01 -3.305846234451E-01
  44 F  20 CA    4.945562644739E-01  2.835748873027E-01  1.694153765549E-01
  45 F  20 CA    4.945562644739E-01 -2.835748873027E-01 -3.305846234451E-01
  46 F  20 CA    5.443735526100E-03 -2.164251126973E-01  1.694153765549E-01
  47 F  20 CA   -5.443735526100E-03 -2.164251126973E-01  3.305846234451E-01
  48 F  20 CA   -4.945562644739E-01 -2.835748873027E-01 -1.694153765549E-01
  49 T  20 CA    0.000000000000E+00 -4.864699273331E-01  2.500000000000E-01
  50 F  20 CA    5.000000000000E-01 -1.353007266690E-02 -2.500000000000E-01
  51 F  20 CA    0.000000000000E+00  4.864699273331E-01 -2.500000000000E-01
  52 F  20 CA    5.000000000000E-01  1.353007266690E-02  2.500000000000E-01
  53 T   8 O    -2.940487498326E-01 -4.631815505505E-01  4.403539465301E-01
  54 F   8 O    -2.059512501674E-01 -3.681844944950E-02 -5.964605346990E-02
  55 F   8 O     2.059512501674E-01 -3.681844944950E-02 -4.403539465301E-01
  56 F   8 O     2.940487498326E-01 -4.631815505505E-01  5.964605346990E-02
  57 F   8 O     2.940487498326E-01  4.631815505505E-01 -4.403539465301E-01
  58 F   8 O     2.059512501674E-01  3.681844944950E-02  5.964605346990E-02
  59 F   8 O    -2.059512501674E-01  3.681844944950E-02  4.403539465301E-01
  60 F   8 O    -2.940487498326E-01  4.631815505505E-01 -5.964605346990E-02
  61 T   8 O    -2.953436674142E-01  3.362129593998E-01  3.979263865338E-01
  62 F   8 O    -2.046563325858E-01  1.637870406002E-01 -1.020736134662E-01
  63 F   8 O     2.046563325858E-01  1.637870406002E-01 -3.979263865338E-01
  64 F   8 O     2.953436674142E-01  3.362129593998E-01  1.020736134662E-01
  65 F   8 O     2.953436674142E-01 -3.362129593998E-01 -3.979263865338E-01
  66 F   8 O     2.046563325858E-01 -1.637870406002E-01  1.020736134662E-01
  67 F   8 O    -2.046563325858E-01 -1.637870406002E-01  3.979263865338E-01
  68 F   8 O    -2.953436674142E-01 -3.362129593998E-01 -1.020736134662E-01
  69 T   8 O    -2.969058003174E-01  3.420858961143E-01  4.885486533098E-01
  70 F   8 O    -2.030941996826E-01  1.579141038857E-01 -1.145134669020E-02
  71 F   8 O     2.030941996826E-01  1.579141038857E-01 -4.885486533098E-01
  72 F   8 O     2.969058003174E-01  3.420858961143E-01  1.145134669020E-02
  73 F   8 O     2.969058003174E-01 -3.420858961143E-01 -4.885486533098E-01
  74 F   8 O     2.030941996826E-01 -1.579141038857E-01  1.145134669020E-02
  75 F   8 O    -2.030941996826E-01 -1.579141038857E-01  4.885486533098E-01
  76 F   8 O    -2.969058003174E-01 -3.420858961143E-01 -1.145134669020E-02
  77 T   8 O     2.518387990431E-01  4.051389554372E-01  4.409410848509E-01
  78 F   8 O     2.481612009569E-01  9.486104456280E-02 -5.905891514910E-02
  79 F   8 O    -2.481612009569E-01  9.486104456280E-02 -4.409410848509E-01
  80 F   8 O    -2.518387990431E-01  4.051389554372E-01  5.905891514910E-02
  81 F   8 O    -2.518387990431E-01 -4.051389554372E-01 -4.409410848509E-01
  82 F   8 O    -2.481612009569E-01 -9.486104456280E-02  5.905891514910E-02
  83 F   8 O     2.481612009569E-01 -9.486104456280E-02  4.409410848509E-01
  84 F   8 O     2.518387990431E-01 -4.051389554372E-01 -5.905891514910E-02
  85 T   8 O     2.979156632326E-01 -3.440934675849E-01  3.718471867760E-01
  86 F   8 O     2.020843367674E-01 -1.559065324151E-01 -1.281528132240E-01
  87 F   8 O    -2.020843367674E-01 -1.559065324151E-01 -3.718471867760E-01
  88 F   8 O    -2.979156632326E-01 -3.440934675849E-01  1.281528132240E-01
  89 F   8 O    -2.979156632326E-01  3.440934675849E-01 -3.718471867760E-01
  90 F   8 O    -2.020843367674E-01  1.559065324151E-01  1.281528132240E-01
  91 F   8 O     2.020843367674E-01  1.559065324151E-01  3.718471867760E-01
  92 F   8 O     2.979156632326E-01  3.440934675849E-01 -1.281528132240E-01
  93 T   8 O     3.075204393321E-01  4.659710789754E-01  3.208827627401E-01
  94 F   8 O     1.924795606679E-01  3.402892102460E-02 -1.791172372599E-01
  95 F   8 O    -1.924795606679E-01  3.402892102460E-02 -3.208827627401E-01
  96 F   8 O    -3.075204393321E-01  4.659710789754E-01  1.791172372599E-01
  97 F   8 O    -3.075204393321E-01 -4.659710789754E-01 -3.208827627401E-01
  98 F   8 O    -1.924795606679E-01 -3.402892102460E-02  1.791172372599E-01
  99 F   8 O     1.924795606679E-01 -3.402892102460E-02  3.208827627401E-01
 100 F   8 O     3.075204393321E-01 -4.659710789754E-01 -1.791172372599E-01
 101 T   8 O     3.111672550040E-01 -3.295842831939E-01  2.815433193649E-01
 102 F   8 O     1.888327449960E-01 -1.704157168061E-01 -2.184566806351E-01
 103 F   8 O    -1.888327449960E-01 -1.704157168061E-01 -2.815433193649E-01
 104 F   8 O    -3.111672550040E-01 -3.295842831939E-01  2.184566806351E-01
 105 F   8 O    -3.111672550040E-01  3.295842831939E-01 -2.815433193649E-01
 106 F   8 O    -1.888327449960E-01  1.704157168061E-01  2.184566806351E-01
 107 F   8 O     1.888327449960E-01  1.704157168061E-01  2.815433193649E-01
 108 F   8 O     3.111672550040E-01  3.295842831939E-01 -2.184566806351E-01
 109 T   8 O    -2.433106583281E-01 -4.014112968449E-01  3.240019038336E-01
 110 F   8 O    -2.566893416719E-01 -9.858870315510E-02 -1.759980961664E-01
 111 F   8 O     2.566893416719E-01 -9.858870315510E-02 -3.240019038336E-01
 112 F   8 O     2.433106583281E-01 -4.014112968449E-01  1.759980961664E-01
 113 F   8 O     2.433106583281E-01  4.014112968449E-01 -3.240019038336E-01
 114 F   8 O     2.566893416719E-01  9.858870315510E-02  1.759980961664E-01
 115 F   8 O    -2.566893416719E-01  9.858870315510E-02  3.240019038336E-01
 116 F   8 O    -2.433106583281E-01  4.014112968449E-01 -1.759980961664E-01
 117 T   8 O    -3.233786150553E-01 -1.581696469000E-01  2.824020544597E-01
 118 F   8 O    -1.766213849447E-01 -3.418303531000E-01 -2.175979455403E-01
 119 F   8 O     1.766213849447E-01 -3.418303531000E-01 -2.824020544597E-01
 120 F   8 O     3.233786150553E-01 -1.581696469000E-01  2.175979455403E-01
 121 F   8 O     3.233786150553E-01  1.581696469000E-01 -2.824020544597E-01
 122 F   8 O     1.766213849447E-01  3.418303531000E-01  2.175979455403E-01
 123 F   8 O    -1.766213849447E-01  3.418303531000E-01  2.824020544597E-01
 124 F   8 O    -3.233786150553E-01  1.581696469000E-01 -2.175979455403E-01

 T = ATOM BELONGING TO THE ASYMMETRIC UNIT

 ****   8 SYMMOPS - TRANSLATORS IN FRACTIONAL UNITS
  V INV                   ROTATION MATRICES                       TRANSLATOR
  1  1  1.00  0.00  0.00  0.00  1.00  0.00  0.00  0.00  1.00    0.00  0.00  0.00
  2  2 -1.00  0.00  0.00  0.00 -1.00  0.00  0.00  0.00  1.00    0.50  0.50  0.50
  3  3  1.00  0.00  0.00  0.00 -1.00  0.00  0.00  0.00 -1.00    0.50  0.50  0.00
  4  4 -1.00  0.00  0.00  0.00  1.00  0.00  0.00  0.00 -1.00    0.00  0.00  0.50
  5  5 -1.00  0.00  0.00  0.00 -1.00  0.00  0.00  0.00 -1.00    0.00  0.00  0.00
  6  6  1.00  0.00  0.00  0.00  1.00  0.00  0.00  0.00 -1.00    0.50  0.50  0.50
  7  7 -1.00  0.00  0.00  0.00  1.00  0.00  0.00  0.00  1.00    0.50  0.50  0.00
  8  8  1.00  0.00  0.00  0.00 -1.00  0.00  0.00  0.00  1.00    0.00  0.00  0.50

 DIRECT LATTICE VECTORS CARTESIAN COMPONENTS (ANGSTROM)
          X                    Y                    Z
   0.511714370000E+01   0.000000000000E+00   0.000000000000E+00
   0.000000000000E+00   0.114775872000E+02   0.000000000000E+00
   0.000000000000E+00   0.000000000000E+00   0.288257930800E+02


 CARTESIAN COORDINATES - PRIMITIVE CELL
 *******************************************************************************
 *      ATOM          X(ANGSTROM)         Y(ANGSTROM)         Z(ANGSTROM)
 *******************************************************************************
   1    14 SI   -2.192358674995E+00  4.646831598400E+00  1.275448254952E+01
   2    14 SI   -3.662131750052E-01  1.091962001600E+00 -1.658413990478E+00
   3    14 SI    3.662131750052E-01  1.091962001600E+00 -1.275448254952E+01
   4    14 SI    2.192358674995E+00  4.646831598400E+00  1.658413990478E+00
   5    14 SI    2.192358674995E+00 -4.646831598400E+00 -1.275448254952E+01
   6    14 SI    3.662131750052E-01 -1.091962001600E+00  1.658413990478E+00
   7    14 SI   -3.662131750052E-01 -1.091962001600E+00  1.275448254952E+01
   8    14 SI   -2.192358674995E+00 -4.646831598400E+00 -1.658413990478E+00
   9    14 SI    2.255662630566E+00 -4.663157607868E+00  9.436365929996E+00
  10    14 SI    3.029092194341E-01 -1.075635992132E+00 -4.976530610004E+00
  11    14 SI   -3.029092194341E-01 -1.075635992132E+00 -9.436365929996E+00
  12    14 SI   -2.255662630566E+00 -4.663157607868E+00  4.976530610004E+00
  13    14 SI   -2.255662630566E+00  4.663157607868E+00 -9.436365929996E+00
  14    14 SI   -3.029092194341E-01  1.075635992132E+00  4.976530610004E+00
  15    14 SI    3.029092194341E-01  1.075635992132E+00  9.436365929996E+00
  16    14 SI    2.255662630566E+00  4.663157607868E+00 -4.976530610004E+00
  17    14 SI    2.558571850000E+00 -2.750689470601E+00  7.206448270000E+00
  18    14 SI    0.000000000000E+00 -2.988104129399E+00 -7.206448270000E+00
  19    14 SI    2.558571850000E+00  2.750689470601E+00 -7.206448270000E+00
  20    14 SI    0.000000000000E+00  2.988104129399E+00  7.206448270000E+00
  21    20 CA    2.544821935705E+00 -3.247503358631E+00  1.274879258840E+01
  22    20 CA    1.374991429534E-02 -2.491290241369E+00 -1.664103951605E+00
  23    20 CA   -1.374991429534E-02 -2.491290241369E+00 -1.274879258840E+01
  24    20 CA   -2.544821935705E+00 -3.247503358631E+00  1.664103951605E+00
  25    20 CA   -2.544821935705E+00  3.247503358631E+00 -1.274879258840E+01
  26    20 CA   -1.374991429534E-02  2.491290241369E+00  1.664103951605E+00
  27    20 CA    1.374991429534E-02  2.491290241369E+00  1.274879258840E+01
  28    20 CA    2.544821935705E+00  3.247503358631E+00 -1.664103951605E+00
  29    20 CA    0.000000000000E+00  5.738793600000E+00  1.441289654000E+01
  30    20 CA    2.558571850000E+00  0.000000000000E+00 -1.776356839400E-15
  31    20 CA    2.558571850000E+00  0.000000000000E+00  1.441289654000E+01
  32    20 CA    0.000000000000E+00  5.738793600000E+00 -3.200305918050E-15
  33    20 CA   -2.786450032050E-02  5.615140662662E+00  1.090240635378E+01
  34    20 CA   -2.530707349679E+00  1.236529373379E-01 -3.510490186220E+00
  35    20 CA    2.530707349679E+00  1.236529373379E-01 -1.090240635378E+01
  36    20 CA    2.786450032050E-02  5.615140662662E+00  3.510490186220E+00
  37    20 CA    2.786450032050E-02 -5.615140662662E+00 -1.090240635378E+01
  38    20 CA    2.530707349679E+00 -1.236529373379E-01  3.510490186220E+00
  39    20 CA   -2.530707349679E+00 -1.236529373379E-01  1.090240635378E+01
  40    20 CA   -2.786450032050E-02 -5.615140662662E+00 -3.510490186220E+00
  41    20 CA   -2.530715473048E+00  3.254755496747E+00  9.529363950858E+00
  42    20 CA   -2.785637695185E-02  2.484038103253E+00 -4.883532589142E+00
  43    20 CA    2.785637695185E-02  2.484038103253E+00 -9.529363950858E+00
  44    20 CA    2.530715473048E+00  3.254755496747E+00  4.883532589142E+00
  45    20 CA    2.530715473048E+00 -3.254755496747E+00 -9.529363950858E+00
  46    20 CA    2.785637695185E-02 -2.484038103253E+00  4.883532589142E+00
  47    20 CA   -2.785637695185E-02 -2.484038103253E+00  9.529363950858E+00
  48    20 CA   -2.530715473048E+00 -3.254755496747E+00 -4.883532589142E+00
  49    20 CA    0.000000000000E+00 -5.583501011143E+00  7.206448270000E+00
  50    20 CA    2.558571850000E+00 -1.552925888567E-01 -7.206448270000E+00
  51    20 CA    0.000000000000E+00  5.583501011143E+00 -7.206448270000E+00
  52    20 CA    2.558571850000E+00  1.552925888567E-01  7.206448270000E+00
  53     8 O    -1.504689707699E+00 -5.316206635875E+00  1.269355174464E+01
  54     8 O    -1.053882142301E+00 -4.225869641254E-01 -1.719344795362E+00
  55     8 O     1.053882142301E+00 -4.225869641254E-01 -1.269355174464E+01
  56     8 O     1.504689707699E+00 -5.316206635875E+00  1.719344795362E+00
  57     8 O     1.504689707699E+00  5.316206635875E+00 -1.269355174464E+01
  58     8 O     1.053882142301E+00  4.225869641254E-01  1.719344795362E+00
  59     8 O    -1.053882142301E+00  4.225869641254E-01  1.269355174464E+01
  60     8 O    -1.504689707699E+00  5.316206635875E+00 -1.719344795362E+00
  61     8 O    -1.511315987043E+00  3.858913559281E+00  1.147054367930E+01
  62     8 O    -1.047255862957E+00  1.879880040719E+00 -2.942352860705E+00
  63     8 O     1.047255862957E+00  1.879880040719E+00 -1.147054367930E+01
  64     8 O     1.511315987043E+00  3.858913559281E+00  2.942352860705E+00
  65     8 O     1.511315987043E+00 -3.858913559281E+00 -1.147054367930E+01
  66     8 O     1.047255862957E+00 -1.879880040719E+00  2.942352860705E+00
  67     8 O    -1.047255862957E+00 -1.879880040719E+00  1.147054367930E+01
  68     8 O    -1.511315987043E+00 -3.858913559281E+00 -2.942352860705E+00
  69     8 O    -1.519309645588E+00  3.926320702542E+00  1.408280238982E+01
  70     8 O    -1.039262204412E+00  1.812472897458E+00 -3.300941501791E-01
  71     8 O     1.039262204412E+00  1.812472897458E+00 -1.408280238982E+01
  72     8 O     1.519309645588E+00  3.926320702542E+00  3.300941501791E-01
  73     8 O     1.519309645588E+00 -3.926320702542E+00 -1.408280238982E+01
  74     8 O     1.039262204412E+00 -1.812472897458E+00  3.300941501791E-01
  75     8 O    -1.039262204412E+00 -1.812472897458E+00  1.408280238982E+01
  76     8 O    -1.519309645588E+00 -3.926320702542E+00 -3.300941501791E-01
  77     8 O     1.288695323939E+00  4.650017689147E+00  1.271047647238E+01
  78     8 O     1.269876526061E+00  1.088775910853E+00 -1.702420067617E+00
  79     8 O    -1.269876526061E+00  1.088775910853E+00 -1.271047647238E+01
  80     8 O    -1.288695323939E+00  4.650017689147E+00  1.702420067617E+00
  81     8 O    -1.288695323939E+00 -4.650017689147E+00 -1.271047647238E+01
  82     8 O    -1.269876526061E+00 -1.088775910853E+00  1.702420067617E+00
  83     8 O     1.269876526061E+00 -1.088775910853E+00  1.271047647238E+01
  84     8 O     1.288695323939E+00 -4.650017689147E+00 -1.702420067617E+00
  85     8 O     1.524477259242E+00 -3.949362779156E+00  1.071879006339E+01
  86     8 O     1.034094590758E+00 -1.789430820844E+00 -3.694106476615E+00
  87     8 O    -1.034094590758E+00 -1.789430820844E+00 -1.071879006339E+01
  88     8 O    -1.524477259242E+00 -3.949362779156E+00  3.694106476615E+00
  89     8 O    -1.524477259242E+00  3.949362779156E+00 -1.071879006339E+01
  90     8 O    -1.034094590758E+00  1.789430820844E+00  3.694106476615E+00
  91     8 O     1.034094590758E+00  1.789430820844E+00  1.071879006339E+01
  92     8 O     1.524477259242E+00  3.949362779156E+00 -3.694106476615E+00
  93     8 O     1.573626278749E+00  5.348223691618E+00  9.249700121685E+00
  94     8 O     9.849455712505E-01  3.905699083818E-01 -5.163196418315E+00
  95     8 O    -9.849455712505E-01  3.905699083818E-01 -9.249700121685E+00
  96     8 O    -1.573626278749E+00  5.348223691618E+00  5.163196418315E+00
  97     8 O    -1.573626278749E+00 -5.348223691618E+00 -9.249700121685E+00
  98     8 O    -9.849455712505E-01 -3.905699083818E-01  5.163196418315E+00
  99     8 O     9.849455712505E-01 -3.905699083818E-01  9.249700121685E+00
 100     8 O     1.573626278749E+00 -5.348223691618E+00 -5.163196418315E+00
 101     8 O     1.592287558590E+00 -3.782832350107E+00  8.115709467069E+00
 102     8 O     9.662842914100E-01 -1.955961249893E+00 -6.297187072931E+00
 103     8 O    -9.662842914100E-01 -1.955961249893E+00 -8.115709467069E+00
 104     8 O    -1.592287558590E+00 -3.782832350107E+00  6.297187072931E+00
 105     8 O    -1.592287558590E+00  3.782832350107E+00 -8.115709467069E+00
 106     8 O    -9.662842914100E-01  1.955961249893E+00  6.297187072931E+00
 107     8 O     9.662842914100E-01  1.955961249893E+00  8.115709467069E+00
 108     8 O     1.592287558590E+00  3.782832350107E+00 -6.297187072931E+00
 109     8 O    -1.245055602406E+00 -4.607233162602E+00  9.339611837433E+00
 110     8 O    -1.313516247594E+00 -1.131560437398E+00 -5.073284702567E+00
 111     8 O     1.313516247594E+00 -1.131560437398E+00 -9.339611837433E+00
 112     8 O     1.245055602406E+00 -4.607233162602E+00  5.073284702567E+00
 113     8 O     1.245055602406E+00  4.607233162602E+00 -9.339611837433E+00
 114     8 O     1.313516247594E+00  1.131560437398E+00  5.073284702567E+00
 115     8 O    -1.313516247594E+00  1.131560437398E+00  9.339611837433E+00
 116     8 O    -1.245055602406E+00  4.607233162602E+00 -5.073284702567E+00
 117     8 O    -1.654774842745E+00 -1.815405914688E+00  8.140463187222E+00
 118     8 O    -9.037970072550E-01 -3.923387685312E+00 -6.272433352778E+00
 119     8 O     9.037970072550E-01 -3.923387685312E+00 -8.140463187222E+00
 120     8 O     1.654774842745E+00 -1.815405914688E+00  6.272433352778E+00
 121     8 O     1.654774842745E+00  1.815405914688E+00 -8.140463187222E+00
 122     8 O     9.037970072550E-01  3.923387685312E+00  6.272433352778E+00
 123     8 O    -9.037970072550E-01  3.923387685312E+00  8.140463187222E+00
 124     8 O    -1.654774842745E+00  1.815405914688E+00 -6.272433352778E+00

 *******************************************************************************
 LOCAL ATOMIC FUNCTIONS BASIS SET
 *******************************************************************************
   ATOM  X(AU)  Y(AU)  Z(AU)    NO. TYPE  EXPONENT  S COEF   P COEF   D/F/G COEF
 *******************************************************************************
   1 SI -4.143  8.781 24.102
                                  1 S  
                                         8.765E+04 2.370E-04 0.000E+00 0.000E+00
                                         1.285E+04 1.920E-03 0.000E+00 0.000E+00
                                         2.786E+03 1.090E-02 0.000E+00 0.000E+00
                                         7.280E+02 4.960E-02 0.000E+00 0.000E+00
                                         2.195E+02 1.668E-01 0.000E+00 0.000E+00
                                         7.590E+01 3.630E-01 0.000E+00 0.000E+00
                                         2.946E+01 4.051E-01 0.000E+00 0.000E+00
                                         1.199E+01 1.504E-01 0.000E+00 0.000E+00
                             2-   5 SP 
                                         1.660E+02-8.840E-03 9.090E-03 0.000E+00
                                         3.937E+01-8.590E-02 6.010E-02 0.000E+00
                                         1.271E+01-7.120E-02 1.952E-01 0.000E+00
                                         4.718E+00 4.147E-01 3.384E-01 0.000E+00
                                         1.848E+00 6.168E-01 3.006E-01 0.000E+00
                                         7.365E-01 1.154E-01 6.480E-02 0.000E+00
                             6-   9 SP 
                                         4.175E+00-1.990E-02-8.700E-03 0.000E+00
                                         1.447E+00-1.864E-01-4.380E-03 0.000E+00
                                         5.023E-01 9.670E-02 2.207E-01 0.000E+00
                            10-  13 SP 
                                         3.330E-01 1.000E+00 1.000E+00 0.000E+00
                            14-  17 SP 
                                         1.300E-01 1.000E+00 1.000E+00 0.000E+00
                            18-  22 D  
                                         6.820E-01 0.000E+00 0.000E+00 1.000E+00
   2 SI -0.692  2.064 -3.134
   3 SI  0.692  2.064-24.102
   4 SI  4.143  8.781  3.134
   5 SI  4.143 -8.781-24.102
   6 SI  0.692 -2.064  3.134
   7 SI -0.692 -2.064 24.102
   8 SI -4.143 -8.781 -3.134
   9 SI  4.263 -8.812 17.832
  10 SI  0.572 -2.033 -9.404
  11 SI -0.572 -2.033-17.832
  12 SI -4.263 -8.812  9.404
  13 SI -4.263  8.812-17.832
  14 SI -0.572  2.033  9.404
  15 SI  0.572  2.033 17.832
  16 SI  4.263  8.812 -9.404
  17 SI  4.835 -5.198 13.618
  18 SI  0.000 -5.647-13.618
  19 SI  4.835  5.198-13.618
  20 SI  0.000  5.647 13.618
  21 CA  4.809 -6.137 24.092
                                441 S  
                                         1.913E+05 2.204E-04 0.000E+00 0.000E+00
                                         2.697E+04 1.925E-03 0.000E+00 0.000E+00
                                         5.696E+03 1.109E-02 0.000E+00 0.000E+00
                                         1.489E+03 4.995E-02 0.000E+00 0.000E+00
                                         4.483E+02 1.701E-01 0.000E+00 0.000E+00
                                         1.546E+02 3.685E-01 0.000E+00 0.000E+00
                                         6.037E+01 4.034E-01 0.000E+00 0.000E+00
                                         2.509E+01 1.452E-01 0.000E+00 0.000E+00
                           442- 445 SP 
                                         4.486E+02-5.750E-03 8.470E-03 0.000E+00
                                         1.057E+02-7.670E-02 6.027E-02 0.000E+00
                                         3.469E+01-1.122E-01 2.124E-01 0.000E+00
                                         1.350E+01 2.537E-01 3.771E-01 0.000E+00
                                         5.820E+00 6.880E-01 4.010E-01 0.000E+00
                                         1.819E+00 3.490E-01 1.980E-01 0.000E+00
                           446- 449 SP 
                                         2.075E+01-2.000E-03-3.650E-02 0.000E+00
                                         8.400E+00-1.255E-01-6.850E-02 0.000E+00
                                         3.597E+00-6.960E-01 1.570E-01 0.000E+00
                                         1.408E+00 1.029E+00 1.482E+00 0.000E+00
                                         7.260E-01 9.440E-01 1.025E+00 0.000E+00
                           450- 453 SP 
                                         4.630E-01 1.000E+00 1.000E+00 0.000E+00
                           454- 457 SP 
                                         2.790E-01 1.000E+00 1.000E+00 0.000E+00
                           458- 462 D  
                                         3.922E+00 0.000E+00 0.000E+00 1.390E-01
                                         1.095E+00 0.000E+00 0.000E+00 3.260E-01
                           463- 467 D  
                                         3.430E-01 0.000E+00 0.000E+00 4.270E-01
  22 CA  0.026 -4.708 -3.145
  23 CA -0.026 -4.708-24.092
  24 CA -4.809 -6.137  3.145
  25 CA -4.809  6.137-24.092
  26 CA -0.026  4.708  3.145
  27 CA  0.026  4.708 24.092
  28 CA  4.809  6.137 -3.145
  29 CA  0.000 10.845 27.236
  30 CA  4.835  0.000  0.000
  31 CA  4.835  0.000 27.236
  32 CA  0.000 10.845  0.000
  33 CA -0.053 10.611 20.603
  34 CA -4.782  0.234 -6.634
  35 CA  4.782  0.234-20.603
  36 CA  0.053 10.611  6.634
  37 CA  0.053-10.611-20.603
  38 CA  4.782 -0.234  6.634
  39 CA -4.782 -0.234 20.603
  40 CA -0.053-10.611 -6.634
  41 CA -4.782  6.151 18.008
  42 CA -0.053  4.694 -9.229
  43 CA  0.053  4.694-18.008
  44 CA  4.782  6.151  9.229
  45 CA  4.782 -6.151-18.008
  46 CA  0.053 -4.694  9.229
  47 CA -0.053 -4.694 18.008
  48 CA -4.782 -6.151 -9.229
  49 CA  0.000-10.551 13.618
  50 CA  4.835 -0.293-13.618
  51 CA  0.000 10.551-13.618
  52 CA  4.835  0.293 13.618
  53 O  -2.843-10.046 23.987
                               1305 S  
                                         8.020E+03 1.080E-03 0.000E+00 0.000E+00
                                         1.338E+03 8.040E-03 0.000E+00 0.000E+00
                                         2.554E+02 5.324E-02 0.000E+00 0.000E+00
                                         6.922E+01 1.681E-01 0.000E+00 0.000E+00
                                         2.390E+01 3.581E-01 0.000E+00 0.000E+00
                                         9.264E+00 3.855E-01 0.000E+00 0.000E+00
                                         3.851E+00 1.468E-01 0.000E+00 0.000E+00
                                         1.212E+00 7.280E-02 0.000E+00 0.000E+00
                          1306-1309 SP 
                                         4.943E+01-8.830E-03 9.580E-03 0.000E+00
                                         1.047E+01-9.150E-02 6.960E-02 0.000E+00
                                         3.235E+00-4.020E-02 2.065E-01 0.000E+00
                                         1.217E+00 3.790E-01 3.470E-01 0.000E+00
                          1310-1313 SP 
                                         4.600E-01 1.000E+00 1.000E+00 0.000E+00
                          1314-1317 SP 
                                         1.700E-01 1.000E+00 1.000E+00 0.000E+00
                          1318-1322 D  
                                         5.560E-01 0.000E+00 0.000E+00 1.000E+00
  54 O  -1.992 -0.799 -3.249
  55 O   1.992 -0.799-23.987
  56 O   2.843-10.046  3.249
  57 O   2.843 10.046-23.987
  58 O   1.992  0.799  3.249
  59 O  -1.992  0.799 23.987
  60 O  -2.843 10.046 -3.249
  61 O  -2.856  7.292 21.676
  62 O  -1.979  3.552 -5.560
  63 O   1.979  3.552-21.676
  64 O   2.856  7.292  5.560
  65 O   2.856 -7.292-21.676
  66 O   1.979 -3.552  5.560
  67 O  -1.979 -3.552 21.676
  68 O  -2.856 -7.292 -5.560
  69 O  -2.871  7.420 26.613
  70 O  -1.964  3.425 -0.624
  71 O   1.964  3.425-26.613
  72 O   2.871  7.420  0.624
  73 O   2.871 -7.420-26.613
  74 O   1.964 -3.425  0.624
  75 O  -1.964 -3.425 26.613
  76 O  -2.871 -7.420 -0.624
  77 O   2.435  8.787 24.019
  78 O   2.400  2.057 -3.217
  79 O  -2.400  2.057-24.019
  80 O  -2.435  8.787  3.217
  81 O  -2.435 -8.787-24.019
  82 O  -2.400 -2.057  3.217
  83 O   2.400 -2.057 24.019
  84 O   2.435 -8.787 -3.217
  85 O   2.881 -7.463 20.256
  86 O   1.954 -3.382 -6.981
  87 O  -1.954 -3.382-20.256
  88 O  -2.881 -7.463  6.981
  89 O  -2.881  7.463-20.256
  90 O  -1.954  3.382  6.981
  91 O   1.954  3.382 20.256
  92 O   2.881  7.463 -6.981
  93 O   2.974 10.107 17.479
  94 O   1.861  0.738 -9.757
  95 O  -1.861  0.738-17.479
  96 O  -2.974 10.107  9.757
  97 O  -2.974-10.107-17.479
  98 O  -1.861 -0.738  9.757
  99 O   1.861 -0.738 17.479
 100 O   2.974-10.107 -9.757
 101 O   3.009 -7.149 15.336
 102 O   1.826 -3.696-11.900
 103 O  -1.826 -3.696-15.336
 104 O  -3.009 -7.149 11.900
 105 O  -3.009  7.149-15.336
 106 O  -1.826  3.696 11.900
 107 O   1.826  3.696 15.336
 108 O   3.009  7.149-11.900
 109 O  -2.353 -8.706 17.649
 110 O  -2.482 -2.138 -9.587
 111 O   2.482 -2.138-17.649
 112 O   2.353 -8.706  9.587
 113 O   2.353  8.706-17.649
 114 O   2.482  2.138  9.587
 115 O  -2.482  2.138 17.649
 116 O  -2.353  8.706 -9.587
 117 O  -3.127 -3.431 15.383
 118 O  -1.708 -7.414-11.853
 119 O   1.708 -7.414-15.383
 120 O   3.127 -3.431 11.853
 121 O   3.127  3.431-15.383
 122 O   1.708  7.414 11.853
 123 O  -1.708  7.414 15.383
 124 O  -3.127  3.431-11.853
 INFORMATION **** READM2 **** FULL DIRECT SCF (MONO AND BIEL INT) SELECTED
 INFORMATION **** TOLINTEG **** COULOMB AND EXCHANGE SERIES TOLERANCES MODIFIED
 INFORMATION **** TOLDEE **** SCF TOL ON TOTAL ENERGY SET TO          10

 MODIFIED BROYDEN MIXING OF THE FOCK MATRIX
 WO PARAMETER(D.D. Johnson, PRB38, 12807,(1988)             1.0000E-04
 % OF FOCK/KS MATRICES MIXING WHEN BROYDEN METHOD IS ON             50
 NUMBER OF SCF ITERATIONS AFTER WHICH BROYDEN METHOD IS ACTIVE       2
 INFORMATION **** MAXCYCLE **** MAX NUMBER OF SCF CYCLES SET TO         200
 INFORMATION **** BIPOSIZE **** COULOMB BIPOLAR BUFFER SET TO     6818200
 INFORMATION **** EXCHSIZE **** EXCHANGE BIPOLAR BUFFER SIZE SET TO     6992232
 *******************************************************************************
 N. OF ATOMS PER CELL      124  COULOMB OVERLAP TOL         (T1) 10** -7
 NUMBER OF SHELLS          704  COULOMB PENETRATION TOL     (T2) 10** -7
 NUMBER OF AO             2600  EXCHANGE OVERLAP TOL        (T3) 10** -7
 N. OF ELECTRONS PER CELL 1496  EXCHANGE PSEUDO OVP (F(G))  (T4) 10** -7
 CORE ELECTRONS PER CELL   920  EXCHANGE PSEUDO OVP (P(G))  (T5) 10**-15
 N. OF SYMMETRY OPERATORS    8  POLE ORDER IN MONO ZONE                4
 *******************************************************************************
 TYPE OF CALCULATION :  RESTRICTED CLOSED SHELL
 KOHN-SHAM HAMILTONIAN

 (EXCHANGE)[CORRELATION] FUNCTIONAL:(PERDEW-BURKE-ERNZERHOF)[PERDEW-BURKE-ERNZERHOF]


 HYBRID EXCHANGE - PERCENTAGE OF FOCK EXCHANGE    16.6670

 CAPPA:IS1  4;IS2  4;IS3  4; K PTS MONK NET   27; SYMMOPS: K SPACE  8;G SPACE  8

 *******************************************************************************
 MAX NUMBER OF SCF CYCLES     200  CONVERGENCE ON DELTAP        10**-20
 WEIGHT OF F(I) IN F(I+1)      80% CONVERGENCE ON ENERGY        10**-10
 SHRINK. FACT.(MONKH.)    4  4  4  NUMBER OF K POINTS IN THE IBZ     27
 SHRINKING FACTOR(GILAT NET)    4  NUMBER OF K POINTS(GILAT NET)     27
 *******************************************************************************
 *** K POINTS COORDINATES (OBLIQUE COORDINATES IN UNITS OF IS =  4)
   1-R(  0  0  0)   2-C(  1  0  0)   3-R(  2  0  0)   4-C(  0  1  0)
   5-C(  1  1  0)   6-C(  2  1  0)   7-R(  0  2  0)   8-C(  1  2  0)
   9-R(  2  2  0)  10-C(  0  0  1)  11-C(  1  0  1)  12-C(  2  0  1)
  13-C(  0  1  1)  14-C(  1  1  1)  15-C(  2  1  1)  16-C(  0  2  1)
  17-C(  1  2  1)  18-C(  2  2  1)  19-R(  0  0  2)  20-C(  1  0  2)
  21-R(  2  0  2)  22-C(  0  1  2)  23-C(  1  1  2)  24-C(  2  1  2)
  25-R(  0  2  2)  26-C(  1  2  2)  27-R(  2  2  2)

 DIRECT LATTICE VECTORS COMPON. (A.U.)     RECIP. LATTICE VECTORS COMPON. (A.U.) 
        X            Y            Z              X            Y            Z
    9.6700002    0.0000000    0.0000000      0.6497606    0.0000000    0.0000000
    0.0000000   21.6894965    0.0000000      0.0000000    0.2896879    0.0000000
    0.0000000    0.0000000   54.4728545      0.0000000    0.0000000    0.1153453

 DISK SPACE FOR EIGENVECTORS (FTN 10)  310960000 REALS

 SYMMETRY ADAPTION OF THE BLOCH FUNCTIONS ENABLED
 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT gordsh1     TELAPSE        0.51 TCPU        0.25

 DIMENSIONS  P(G)= 5666296 F(G)=  906332 P(G),F(G) (IRR)  360541
 MAX G-VECTOR INDEX FOR 1- AND 2-ELECTRON INTEGRALS 105

 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT INPUT       TELAPSE        3.60 TCPU        3.34

 NEIGHBORS OF THE NON-EQUIVALENT ATOMS

 N = NUMBER OF NEIGHBORS AT DISTANCE R
    ATOM  N     R/ANG      R/AU   NEIGHBORS (ATOM LABELS AND CELL INDICES)
   1 SI   1     1.6367     3.0929  77 O   -1 0 0
   1 SI   1     1.6532     3.1241  61 O    0 0 0
   1 SI   1     1.6543     3.1261  69 O    0 0 0
   1 SI   1     1.6645     3.1454  53 O    0 1 0
   1 SI   1     2.9579     5.5896  29 CA   0 0 0
   1 SI   1     3.0088     5.6858  33 CA   0 0 0

   9 SI   1     1.6203     3.0619 109 O    1 0 0
   9 SI   1     1.6278     3.0761  93 O    0-1 0
   9 SI   1     1.6397     3.0987  85 O    0 0 0
   9 SI   1     1.7202     3.2508 101 O    0 0 0
   9 SI   1     2.9533     5.5809  17 SI   0 0 0
   9 SI   1     2.9668     5.6065  33 CA   0-1 0

  17 SI   2     1.6012     3.0259 117 O    1 0 0 120 O    0 0 0
  17 SI   2     1.6810     3.1766 101 O    0 0 0 104 O    1 0 0
  17 SI   1     2.9060     5.4915  52 CA   0 0 0
  17 SI   2     2.9533     5.5809   9 SI   0 0 0  12 SI   1 0 0
  17 SI   2     3.1181     5.8923 109 O    1 0 0 112 O    0 0 0
  17 SI   2     3.4455     6.5111  46 CA   0 0 0  47 CA   1 0 0

  21 CA   1     2.3286     4.4004  53 O    1 0 0
  21 CA   1     2.3429     4.4275  73 O    0 0 1
  21 CA   1     2.3779     4.4937  85 O    0 0 0
  21 CA   1     2.4146     4.5629  67 O    1 0 0
  21 CA   1     2.4878     4.7013  75 O    1 0 0
  21 CA   1     2.5074     4.7383  83 O    0 0 0

  29 CA   2     2.3235     4.3908  53 O    0 1 0  57 O    0 0 1
  29 CA   2     2.3880     4.5126  69 O    0 0 0  73 O    0 1 1
  29 CA   2     2.3967     4.5292  77 O    0 0 0  81 O    0 1 1
  29 CA   2     2.9579     5.5896   1 SI   0 0 0   5 SI   0 1 1
  29 CA   2     3.5128     6.6382  33 CA   0 0 0  37 CA   0 1 1
  29 CA   2     3.5351     6.6804   1 SI   1 0 0   5 SI  -1 1 1

  33 CA   1     2.3168     4.3781  93 O    0 0 0
  33 CA   1     2.3451     4.4316 109 O    0 1 0
  33 CA   1     2.3681     4.4750  61 O    0 0 0
  33 CA   1     2.3849     4.5067  53 O    0 1 0
  33 CA   1     2.4360     4.6033  77 O    0 0 0
  33 CA   1     2.4705     4.6686  85 O    0 1 0

  41 CA   1     2.2412     4.2353 123 O    0 0 0
  41 CA   1     2.2743     4.2978  61 O    0 0 0
  41 CA   1     2.3423     4.4264  93 O   -1 0 0
  41 CA   1     2.4437     4.6179  91 O   -1 0 0
  41 CA   1     2.4547     4.6387 115 O    0 0 0
  41 CA   1     2.5120     4.7470 107 O   -1 0 0

  49 CA   2     2.3607     4.4611 122 O    0-1 0 123 O    0-1 0
  49 CA   2     2.5699     4.8565 101 O    0 0 0 104 O    0 0 0
  49 CA   2     2.6361     4.9816  93 O    0-1 0  96 O    0-1 0
  49 CA   2     2.6559     5.0189 109 O    0 0 0 112 O    0 0 0
  49 CA   1     2.9060     5.4915  20 SI   0-1 0
  49 CA   2     3.3027     6.2411   9 SI   0 0 0  12 SI   0 0 0

  53 O    1     1.6645     3.1454   1 SI   0-1 0
  53 O    1     2.3235     4.3908  29 CA   0-1 0
  53 O    1     2.3286     4.4004  21 CA  -1 0 0
  53 O    1     2.3849     4.5067  33 CA   0-1 0
  53 O    1     2.6071     4.9268  61 O    0-1 0
  53 O    1     2.6317     4.9731  69 O    0-1 0

  61 O    1     1.6532     3.1241   1 SI   0 0 0
  61 O    1     2.2743     4.2978  41 CA   0 0 0
  61 O    1     2.3681     4.4750  33 CA   0 0 0
  61 O    1     2.4146     4.5629  27 CA   0 0 0
  61 O    1     2.6071     4.9268  53 O    0 1 0
  61 O    1     2.6131     4.9381  69 O    0 0 0

  69 O    1     1.6543     3.1261   1 SI   0 0 0
  69 O    1     2.3429     4.4275  25 CA   0 0 1
  69 O    1     2.3880     4.5126  29 CA   0 0 0
  69 O    1     2.4878     4.7013  27 CA   0 0 0
  69 O    1     2.6131     4.9381  61 O    0 0 0
  69 O    1     2.6317     4.9731  53 O    0 1 0

  77 O    1     1.6367     3.0929   1 SI   1 0 0
  77 O    1     2.3967     4.5292  29 CA   0 0 0
  77 O    1     2.4360     4.6033  33 CA   0 0 0
  77 O    1     2.5074     4.7383  27 CA   0 0 0
  77 O    1     2.7445     5.1864  61 O    1 0 0
  77 O    1     2.7721     5.2384  53 O    1 1 0

  85 O    1     1.6397     3.0987   9 SI   0 0 0
  85 O    1     2.3779     4.4937  21 CA   0 0 0
  85 O    1     2.4437     4.6179  47 CA   0 0 0
  85 O    1     2.4705     4.6686  33 CA   0-1 0
  85 O    1     2.6093     4.9308 101 O    0 0 0
  85 O    1     2.6293     4.9686  93 O    0-1 0

  93 O    1     1.6278     3.0761   9 SI   0 1 0
  93 O    1     2.3168     4.3781  33 CA   0 0 0
  93 O    1     2.3423     4.4264  41 CA   1 0 0
  93 O    1     2.6062     4.9251 101 O    0 1 0
  93 O    1     2.6293     4.9686  85 O    0 1 0
  93 O    1     2.6361     4.9816  49 CA   0 1 0

 101 O    1     1.6810     3.1766  17 SI   0 0 0
 101 O    1     1.7202     3.2508   9 SI   0 0 0
 101 O    1     2.5120     4.7470  47 CA   0 0 0
 101 O    1     2.5699     4.8565  49 CA   0 0 0
 101 O    1     2.6062     4.9251  93 O    0-1 0
 101 O    1     2.6093     4.9308  85 O    0 0 0

 109 O    1     1.6203     3.0619   9 SI  -1 0 0
 109 O    1     2.3451     4.4316  33 CA   0-1 0
 109 O    1     2.4547     4.6387  47 CA   0 0 0
 109 O    1     2.6559     5.0189  49 CA   0 0 0
 109 O    1     2.7157     5.1319 101 O   -1 0 0
 109 O    1     2.7582     5.2123  93 O   -1-1 0

 117 O    1     1.6012     3.0259  17 SI  -1 0 0
 117 O    1     2.2412     4.2353  47 CA   0 0 0
 117 O    1     2.3607     4.4611  52 CA  -1 0 0
 117 O    1     2.5994     4.9122 120 O   -1 0 0
 117 O    1     2.6967     5.0961 104 O    0 0 0
 117 O    1     2.7145     5.1297 101 O   -1 0 0


 SYMMETRY ALLOWED INTERNAL DEGREE(S) OF FREEDOM:  44
 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SYMM        TELAPSE       10.53 TCPU        9.51
 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT INT_SCREEN  TELAPSE       10.81 TCPU        9.79

 *******************************************************************************
 *                                                                             *
 *                                                                             *
 *         FFFFF  RRRR   EEEE   EEE   U   U  EEEE  N   N   CCC  Y   Y          *
 *         F      R   R  E     E   E  U   U  E     NN  N  C      Y Y           *
 *         FFF    RRRR   EEEE  E   E  U   U  EEEE  N N N  C       Y            *
 *         F      R   R  E     E  EE  U   U  E     N  NN  C       Y            *
 *         F      R   R  EEEE   EE E   UUU   EEEE  N   N   CCC    Y            *
 *                                                                             *
 *                                                                             *
 * CALCULATION OF PHONON FREQUENCIES AT THE GAMMA POINT.                       *
 *                                                                             *
 * SYMMETRY IS EXPLOITED TO BUILD THE TOTAL HESSIAN MATRIX.                    *
 * (F. PASCALE PHD THESIS TURIN-PARIS 2002)                                    *
 *                                                                             *
 *******************************************************************************


 *                                                                             *
 * REFERENCES TO BE QUOTED WHEN USING THIS MODULE:                             *
 *                                                                             *
 * F. Pascale, C.M. Zicovich-Wilson, F. Lopez, B. Civalleri                    *
 * R. Orlando, R. Dovesi                                                       *
 * The calculation of the vibration frequencies of crystalline                 *
 * compounds and its implementation in the CRYSTAL code                        *
 * J. Comput. Chem. 25 (2004) 888-897                                          *
 *                                                                             *
 * C.M. Zicovich-Wilson, F. Pascale, C. Roetti, V.R. Saunders,                 *
 * R. Orlando, R. Dovesi                                                       *
 * The calculation of the vibration frequencies of alpha-quartz:               *
 * the effect of hamiltonian and basis set                                     *
 * J. Comput. Chem. 25 (2004) 1873-1881                                        *
 *******************************************************************************



 ATOMS ISOTOPIC MASS (AMU) FOR FREQUENCY CALCULATION 

    1 SI     27.9769    2 SI     27.9769    3 SI     27.9769    4 SI     27.9769
    5 SI     27.9769    6 SI     27.9769    7 SI     27.9769    8 SI     27.9769
    9 SI     27.9769   10 SI     27.9769   11 SI     27.9769   12 SI     27.9769
   13 SI     27.9769   14 SI     27.9769   15 SI     27.9769   16 SI     27.9769
   17 SI     27.9769   18 SI     27.9769   19 SI     27.9769   20 SI     27.9769
   21 CA     39.9626   22 CA     39.9626   23 CA     39.9626   24 CA     39.9626
   25 CA     39.9626   26 CA     39.9626   27 CA     39.9626   28 CA     39.9626
   29 CA     39.9626   30 CA     39.9626   31 CA     39.9626   32 CA     39.9626
   33 CA     39.9626   34 CA     39.9626   35 CA     39.9626   36 CA     39.9626
   37 CA     39.9626   38 CA     39.9626   39 CA     39.9626   40 CA     39.9626
   41 CA     39.9626   42 CA     39.9626   43 CA     39.9626   44 CA     39.9626
   45 CA     39.9626   46 CA     39.9626   47 CA     39.9626   48 CA     39.9626
   49 CA     39.9626   50 CA     39.9626   51 CA     39.9626   52 CA     39.9626
   53 O      15.9949   54 O      15.9949   55 O      15.9949   56 O      15.9949
   57 O      15.9949   58 O      15.9949   59 O      15.9949   60 O      15.9949
   61 O      15.9949   62 O      15.9949   63 O      15.9949   64 O      15.9949
   65 O      15.9949   66 O      15.9949   67 O      15.9949   68 O      15.9949
   69 O      15.9949   70 O      15.9949   71 O      15.9949   72 O      15.9949
   73 O      15.9949   74 O      15.9949   75 O      15.9949   76 O      15.9949
   77 O      15.9949   78 O      15.9949   79 O      15.9949   80 O      15.9949
   81 O      15.9949   82 O      15.9949   83 O      15.9949   84 O      15.9949
   85 O      15.9949   86 O      15.9949   87 O      15.9949   88 O      15.9949
   89 O      15.9949   90 O      15.9949   91 O      15.9949   92 O      15.9949
   93 O      15.9949   94 O      15.9949   95 O      15.9949   96 O      15.9949
   97 O      15.9949   98 O      15.9949   99 O      15.9949  100 O      15.9949
  101 O      15.9949  102 O      15.9949  103 O      15.9949  104 O      15.9949
  105 O      15.9949  106 O      15.9949  107 O      15.9949  108 O      15.9949
  109 O      15.9949  110 O      15.9949  111 O      15.9949  112 O      15.9949
  113 O      15.9949  114 O      15.9949  115 O      15.9949  116 O      15.9949
  117 O      15.9949  118 O      15.9949  119 O      15.9949  120 O      15.9949
  121 O      15.9949  122 O      15.9949  123 O      15.9949  124 O      15.9949

 STEP SIZE                  0.0030 ANGSTROM

 INFORMATION CONCERNING THE SCF+GRADIENT CALCULATIONS REQUIRED FOR
 GENERATING FREQUENCIES. IN PRINCIPLE 3N+1 SCF + GRADIENT
 CALCULATIONS  ARE REQUIRED;
 FOR EACH OF THEM THE REMAINING POINT SYMMETRY IS INDICATED.
 POINT SYMMETRY PERMITS TO GENERATE GRADIENTS FOR DISPLACEMENT B 
 STARTING FROM THE GRADIENT GENERATED BY DISPLACEMENT A.

   N   LABEL SYMBOL DISPLACEMENT     SYM. 

   1     EQUILIBRIUM GEOMETRY            8

   2      1   SI           DX            1
   3      1   SI           DY            1
   4      1   SI           DZ            1
   5      9   SI           DX            1
   6      9   SI           DY            1
   7      9   SI           DZ            1
   8     17   SI           DX            1
   9     17   SI           DY            2
  10     17   SI           DZ            1
  11     21   CA           DX            1
  12     21   CA           DY            1
  13     21   CA           DZ            1
  14     29   CA           DX            1
  15     29   CA           DY            1
  16     29   CA           DZ            1
  17     33   CA           DX            1
  18     33   CA           DY            1
  19     33   CA           DZ            1
  20     41   CA           DX            1
  21     41   CA           DY            1
  22     41   CA           DZ            1
  23     49   CA           DX            1
  24     49   CA           DY            2
  25     49   CA           DZ            1
  26     53   O            DX            1
  27     53   O            DY            1
  28     53   O            DZ            1
  29     61   O            DX            1
  30     61   O            DY            1
  31     61   O            DZ            1
  32     69   O            DX            1
  33     69   O            DY            1
  34     69   O            DZ            1
  35     77   O            DX            1
  36     77   O            DY            1
  37     77   O            DZ            1
  38     85   O            DX            1
  39     85   O            DY            1
  40     85   O            DZ            1
  41     93   O            DX            1
  42     93   O            DY            1
  43     93   O            DZ            1
  44    101   O            DX            1
  45    101   O            DY            1
  46    101   O            DZ            1
  47    109   O            DX            1
  48    109   O            DY            1
  49    109   O            DZ            1
  50    117   O            DX            1
  51    117   O            DY            1
  52    117   O            DZ            1
 USE OF RESIDUAL SYMMETRY AFTER DISPLACEMENT

 NUMERICAL GRADIENT COMPUTED WITH A SINGLE DISPLACEMENT (+dx) FOR EACH
 CARTESIAN COORDINATE WITH RESPECT TO THE EQUILIBRIUM CONFIGURATION
 dx=  0.003
 NUMBER OF IRREDUCIBLE ATOMS                    17
 NUMBER OF SCF+GRADIENT CALCULATIONS            52

  ATOM  SYMOP  ORDER
    1      1      1
    9      1      1
   17      1      1
   21      1      1
   29      1      1
   33      1      1
   41      1      1
   49      1      1
   53      1      1
   61      1      1
   69      1      1
   77      1      1
   85      1      1
   93      1      1
  101      1      1
  109      1      1
  117      2      2

 ATOM  : IRREDUCIBLE ATOM
 SYMOP : NUMBER OF SYMMETRY OPERATORS THAT DOESN'T MOVE THE IRREDUCIBLE ATOM
 ORDER : MAXIMUM ORDER AMONG THE OPERATORS OF THE IRREDUCIBLE ATOM

 *******************************************************************************


 GCALCO - MAX INDICES DIRECT LATTICE VECTOR    34    15     6
 NO.OF VECTORS CREATED 6999 STARS 1097 RMAX   267.49094 BOHR

 CAPPA:IS1  4;IS2  4;IS3  4; K PTS MONK NET   27; SYMMOPS: K SPACE  8;G SPACE  8

 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT gordsh1     TELAPSE       13.30 TCPU       12.21

 DIMENSIONS  P(G)= 5666296 F(G)=  906332 P(G),F(G) (IRR)  360541
 MAX G-VECTOR INDEX FOR 1- AND 2-ELECTRON INTEGRALS 105

 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT INPUT       TELAPSE       13.35 TCPU       12.25

 SYMMETRY ALLOWED INTERNAL DEGREE(S) OF FREEDOM:  44
 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SYMM        TELAPSE       19.47 TCPU       17.34
 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT INT_SCREEN  TELAPSE       19.75 TCPU       17.62

         THE FIRST POINT IS RESTORED FROM THE FREQINFO.DAT


 RESTART FROM  AN INCOMPLETE HESSIAN MATRIX


 HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH
                   FORCE CONSTANT MATRIX - NUMERICAL ESTIMATE
 HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH
 MAX ABS(DGRAD): MAXIMUM ABSOLUTE GRADIENT DIFFERENCE WITH RESPECT TO
                 THE CENTRAL POINT
 DE:             ENERGY DIFFERENCE WITH RESPECT TO THE CENTRAL POINT
                 (DE IS EXPECTED TO BE POSITIVE FOR ALL DISPLACEMENTS)

   ATOM      MAX ABS(DGRAD)       TOTAL ENERGY (AU)  N.CYC      DE       SYM
    CENTRAL POINT             -3.288718250474E+04    16     0.0000E+00    8
    1 SI DX   2.9603E-03      -3.288718249310E+04    14     1.1642E-05    1
    1 SI DY   2.4122E-03      -3.288718249491E+04    13     9.8351E-06    1
    1 SI DZ   2.5477E-03      -3.288718249525E+04    12     9.4909E-06    1
    9 SI DX   3.1328E-03      -3.288718249387E+04    14     1.0870E-05    1
    9 SI DY   2.6248E-03      -3.288718249558E+04    16     9.1642E-06    1
    9 SI DZ   2.3016E-03      -3.288718249627E+04    12     8.4702E-06    1
   17 SI DX   2.5565E-03      -3.288718249471E+04    10     1.0035E-05    1
   17 SI DY   3.0139E-03      -3.288718249442E+04    10     1.0327E-05    2
   17 SI DZ   2.8402E-03      -3.288718249390E+04    11     1.0838E-05    1
   21 CA DX   3.7647E-04      -3.288718250117E+04     6     3.5682E-06    1
   21 CA DY   5.8483E-04      -3.288718249948E+04    12     5.2656E-06    1
   21 CA DZ   5.1532E-04      -3.288718250106E+04    11     3.6786E-06    1
   29 CA DX   5.7272E-04      -3.288718250033E+04    10     4.4164E-06    1
   29 CA DY   4.3055E-04      -3.288718250073E+04    11     4.0150E-06    1
   29 CA DZ   7.2341E-04      -3.288718249990E+04    11     4.8451E-06    1
   33 CA DX   5.6039E-04      -3.288718249985E+04    10     4.8926E-06    1
   33 CA DY   4.2241E-04      -3.288718250038E+04    10     4.3590E-06    1
   33 CA DZ   6.4025E-04      -3.288718250020E+04    12     4.5442E-06    1
   41 CA DX   5.2818E-04      -3.288718250049E+04    13     4.2508E-06    1
   41 CA DY   5.7429E-04      -3.288718250077E+04    16     3.9684E-06    1
   41 CA DZ   5.7737E-04      -3.288718250106E+04    12     3.6855E-06    1
   49 CA DX   2.2600E-04      -3.288718250131E+04    15     3.4299E-06    1
   49 CA DY   6.0838E-04      -3.288718250236E+04    18     2.3842E-06    2
   49 CA DZ   3.6481E-04      -3.288718250092E+04    10     3.8256E-06    1
   53 O  DX   6.5352E-04      -3.288718250023E+04    16     4.5090E-06    1
   53 O  DY   1.6645E-03      -3.288718249775E+04    12     6.9912E-06    1
   53 O  DZ   5.5690E-04      -3.288718249995E+04    15     4.7944E-06    1
   61 O  DX   6.5597E-04      -3.288718250013E+04    16     4.6129E-06    1
   61 O  DY   8.2661E-04      -3.288718249991E+04    12     4.8324E-06    1
   61 O  DZ   1.5126E-03      -3.288718249691E+04    13     7.8308E-06    1
   69 O  DX   6.0894E-04      -3.288718250037E+04    14     4.3759E-06    1
   69 O  DY   7.3571E-04      -3.288718249978E+04    12     4.9664E-06    1
   69 O  DZ   1.4646E-03      -3.288718249782E+04    14     6.9204E-06    1
   77 O  DX   1.9632E-03      -3.288718249654E+04    17     8.2006E-06    1
   77 O  DY   4.1369E-04      -3.288718250102E+04    12     3.7226E-06    1
   77 O  DZ   4.6598E-04      -3.288718250048E+04    15     4.2574E-06    1
   85 O  DX   6.6653E-04      -3.288718250004E+04    15     4.7007E-06    1
   85 O  DY   7.3898E-04      -3.288718250006E+04    11     4.6798E-06    1
   85 O  DZ   1.4837E-03      -3.288718249763E+04    15     7.1075E-06    1
   93 O  DX   7.1047E-04      -3.288718249982E+04    19     4.9231E-06    1
   93 O  DY   1.9234E-03      -3.288718249568E+04    15     9.0664E-06    1
   93 O  DZ   4.6882E-04      -3.288718250004E+04    10     4.7043E-06    1
  101 O  DX   9.9889E-04      -3.288718249821E+04    16     6.5345E-06    1
  101 O  DY   1.2045E-03      -3.288718249879E+04    13     5.9495E-06    1
  101 O  DZ   1.4960E-03      -3.288718249760E+04    13     7.1411E-06    1
  109 O  DX   2.0367E-03      -3.288718249654E+04    10     8.2012E-06    1
  109 O  DY   4.7461E-04      -3.288718250009E+04    16     4.6530E-06    1
  109 O  DZ   4.1776E-04      -3.288718250085E+04    14     3.8964E-06    1
  117 O  DX   1.0821E-03      -3.288718249830E+04    10     6.4429E-06    1
  117 O  DY   1.0708E-03      -3.288718249922E+04    10     5.5241E-06    1
  117 O  DZ   1.1322E-03      -3.288718249844E+04    14     6.3029E-06    1

 GCALCO - MAX INDICES DIRECT LATTICE VECTOR    34    15     6
 NO.OF VECTORS CREATED 6999 STARS 1097 RMAX   267.49094 BOHR

 CAPPA:IS1  4;IS2  4;IS3  4; K PTS MONK NET   27; SYMMOPS: K SPACE  8;G SPACE  8

 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT gordsh1     TELAPSE    46237.27 TCPU    44947.72

 DIMENSIONS  P(G)= 5666296 F(G)=  906332 P(G),F(G) (IRR)  360541
 MAX G-VECTOR INDEX FOR 1- AND 2-ELECTRON INTEGRALS 105

 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT INPUT       TELAPSE    46237.31 TCPU    44947.76

 SYMMETRY ALLOWED INTERNAL DEGREE(S) OF FREEDOM:  44
 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT SYMM        TELAPSE    46246.79 TCPU    44956.71
 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT INT_SCREEN  TELAPSE    46247.09 TCPU    44957.01

 +++ SYMMETRY ADAPTION OF VIBRATIONAL MODES +++

 SYMMETRY INFORMATION:
 K-LITTLE GROUP: CLASS TABLE, CHARACTER TABLE.
 IRREP-(DIMENSION, NO. IRREDUCIBLE SETS)
 [WARNINGS: (1) ONLY ACTIVE IRREPS ARE GENERATED AND LISTED.
            (2) ONLY RELEVANT CLASSES ARE CONSIDERED IN THE CHARACTER TABLE
            (3) SYMBOLS MAY NOT FULLY COINCIDE WITH THOSE FROM TEXT BOOKS.
 IN CLASSES WRITTEN AS CX.Y OR SX.Y, X.Y IS A DECIMAL NUMBER THAT
 APPROACHES THE OPERATION FRACTIONAL ORDER.]

 (P, D, RP, RD, STAND FOR PAIRING, DOUBLING, REAL PAIRING AND REAL DOUBLING 
 OF THE IRREPS (SEE MANUAL))

 K[   1] (  0  0  0)

 CLASS | GROUP OPERATORS (SEE SYMMOPS KEYWORD)
 ------------------------------------------------------------------------
 C2    |  2;
 C2'   |  3;
 C2''  |  4;
 I     |  5;
 SGH   |  6;
 SGV   |  7;
 SGV'  |  8;

 IRREP/CLA   E    C2    C2'   C2''  I     SGH   SGV   SGV' 
 --------------------------------------------------------
    AG  |  1.00  1.00  1.00  1.00  1.00  1.00  1.00  1.00
    B1G |  1.00  1.00 -1.00 -1.00  1.00  1.00 -1.00 -1.00
    B2G |  1.00 -1.00  1.00 -1.00  1.00 -1.00  1.00 -1.00
    B3G |  1.00 -1.00 -1.00  1.00  1.00 -1.00 -1.00  1.00
    AU  |  1.00  1.00  1.00  1.00 -1.00 -1.00 -1.00 -1.00
    B1U |  1.00  1.00 -1.00 -1.00 -1.00 -1.00  1.00  1.00
    B2U |  1.00 -1.00  1.00 -1.00 -1.00  1.00 -1.00  1.00
    B3U |  1.00 -1.00 -1.00  1.00 -1.00  1.00  1.00 -1.00
 
 AG -(1,  44); B1G-(1,  46); B2G-(1,  46); B3G-(1,  44);
 AU -(1,  47); B1U-(1,  49); B2U-(1,  49); B3U-(1,  47);

 HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH
 EIGENVALUES (EIGV) OF THE MASS WEIGHTED HESSIAN MATRIX AND HARMONIC
 FREQUENCIES. IRREP LABELS REFER TO SYMMETRY REPRESENTATION ANALYSIS;  A AND I
 INDICATE WHETHER THE MODE IS ACTIVE OR INACTIVE, RESPECTIVELY, FOR IR AND
 RAMAN; IR INTENSITIES IN BRACKETS.

 CONVERSION FACTORS FOR FREQUENCIES:
      1 CM**(-1) =   0.2194746E+06 HARTREE
      1 THZ      =   0.2997925E-01 CM**(-1)

 HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH

    MODES         EIGV          FREQUENCIES     IRREP  IR   INTENS    RAMAN
             (HARTREE**2)   (CM**-1)     (THZ)             (KM/MOL)
    1-   1   -0.2148E-09     -3.2167   -0.0964  (B2U)   A (     0.00)   I
    2-   2   -0.9988E-10     -2.1935   -0.0658  (B1U)   A (     0.00)   I
    3-   3   -0.8914E-10     -2.0721   -0.0621  (B3U)   A (     0.00)   I
    4-   4    0.3716E-07     42.3096    1.2684  (B1U)   A (     0.00)   I
    5-   5    0.4527E-07     46.6979    1.4000  (AG )   I (     0.00)   A
    6-   6    0.5186E-07     49.9819    1.4984  (AU )   I (     0.00)   I
    7-   7    0.5465E-07     51.3072    1.5382  (B1G)   I (     0.00)   A
    8-   8    0.9209E-07     66.6035    1.9967  (B3U)   A (     0.00)   I
    9-   9    0.1176E-06     75.2734    2.2566  (B2G)   I (     0.00)   A
   10-  10    0.1236E-06     77.1732    2.3136  (B2U)   A (     0.00)   I
   11-  11    0.1614E-06     88.1615    2.6430  (B2G)   I (     0.00)   A
   12-  12    0.1726E-06     91.1865    2.7337  (B2U)   A (     0.00)   I
   13-  13    0.1827E-06     93.8092    2.8123  (AU )   I (     0.00)   I
   14-  14    0.1919E-06     96.1482    2.8825  (B3G)   I (     0.00)   A
   15-  15    0.1959E-06     97.1412    2.9122  (B3U)   A (     0.00)   I
   16-  16    0.2134E-06    101.3872    3.0395  (B1G)   I (     0.00)   A
   17-  17    0.2333E-06    106.0052    3.1780  (B1U)   A (     0.00)   I
   18-  18    0.2374E-06    106.9444    3.2061  (B1G)   I (     0.00)   A
   19-  19    0.2575E-06    111.3702    3.3388  (B2U)   A (     0.00)   I
   20-  20    0.2650E-06    112.9913    3.3874  (B3G)   I (     0.00)   A
   21-  21    0.2656E-06    113.1081    3.3909  (B1U)   A (     0.00)   I
   22-  22    0.2874E-06    117.6498    3.5271  (B2G)   I (     0.00)   A
   23-  23    0.2950E-06    119.2012    3.5736  (AG )   I (     0.00)   A
   24-  24    0.2998E-06    120.1803    3.6029  (AU )   I (     0.00)   I
   25-  25    0.3015E-06    120.5114    3.6128  (B3U)   A (     0.00)   I
   26-  26    0.3055E-06    121.3071    3.6367  (AU )   I (     0.00)   I
   27-  27    0.3123E-06    122.6509    3.6770  (B1G)   I (     0.00)   A
   28-  28    0.3146E-06    123.0966    3.6903  (B2U)   A (     0.00)   I
   29-  29    0.3260E-06    125.3173    3.7569  (B1U)   A (     0.00)   I
   30-  30    0.3400E-06    127.9718    3.8365  (B3G)   I (     0.00)   A
   31-  31    0.3533E-06    130.4612    3.9111  (B2G)   I (     0.00)   A
   32-  32    0.3538E-06    130.5367    3.9134  (B1U)   A (     0.00)   I
   33-  33    0.3655E-06    132.6921    3.9780  (B1G)   I (     0.00)   A
   34-  34    0.3787E-06    135.0680    4.0492  (B2U)   A (     0.00)   I
   35-  35    0.4137E-06    141.1728    4.2323  (B3U)   A (     0.00)   I
   36-  36    0.4268E-06    143.3904    4.2987  (AU )   I (     0.00)   I
   37-  37    0.4293E-06    143.8093    4.3113  (AG )   I (     0.00)   A
   38-  38    0.4341E-06    144.6059    4.3352  (B2G)   I (     0.00)   A
   39-  39    0.4361E-06    144.9305    4.3449  (B1U)   A (     0.00)   I
   40-  40    0.4422E-06    145.9415    4.3752  (B2G)   I (     0.00)   A
   41-  41    0.4487E-06    147.0217    4.4076  (B3G)   I (     0.00)   A
   42-  42    0.4596E-06    148.7895    4.4606  (B2U)   A (     0.00)   I
   43-  43    0.4632E-06    149.3784    4.4783  (B1G)   I (     0.00)   A
   44-  44    0.4653E-06    149.7087    4.4882  (AG )   I (     0.00)   A
   45-  45    0.4819E-06    152.3507    4.5674  (B1U)   A (     0.00)   I
   46-  46    0.4885E-06    153.3955    4.5987  (AG )   I (     0.00)   A
   47-  47    0.4895E-06    153.5506    4.6033  (AU )   I (     0.00)   I
   48-  48    0.5238E-06    158.8416    4.7620  (B3U)   A (     0.00)   I
   49-  49    0.5272E-06    159.3537    4.7773  (B2U)   A (     0.00)   I
   50-  50    0.5432E-06    161.7545    4.8493  (B3G)   I (     0.00)   A
   51-  51    0.5432E-06    161.7557    4.8493  (B1G)   I (     0.00)   A
   52-  52    0.5718E-06    165.9629    4.9754  (B2G)   I (     0.00)   A
   53-  53    0.5938E-06    169.1201    5.0701  (AG )   I (     0.00)   A
   54-  54    0.6225E-06    173.1687    5.1915  (B2U)   A (     0.00)   I
   55-  55    0.6385E-06    175.3671    5.2574  (B1U)   A (     0.00)   I
   56-  56    0.6426E-06    175.9356    5.2744  (B2G)   I (     0.00)   A
   57-  57    0.6427E-06    175.9561    5.2750  (B1G)   I (     0.00)   A
   58-  58    0.6532E-06    177.3746    5.3176  (B3G)   I (     0.00)   A
   59-  59    0.6570E-06    177.8916    5.3331  (B2U)   A (     0.00)   I
   60-  60    0.6666E-06    179.1884    5.3719  (AU )   I (     0.00)   I
   61-  61    0.6727E-06    180.0111    5.3966  (B2G)   I (     0.00)   A
   62-  62    0.6755E-06    180.3893    5.4079  (B3G)   I (     0.00)   A
   63-  63    0.6767E-06    180.5472    5.4127  (B3U)   A (     0.00)   I
   64-  64    0.6803E-06    181.0214    5.4269  (B3U)   A (     0.00)   I
   65-  65    0.6936E-06    182.7847    5.4797  (B1U)   A (     0.00)   I
   66-  66    0.6950E-06    182.9626    5.4851  (AU )   I (     0.00)   I
   67-  67    0.7112E-06    185.0863    5.5487  (B1G)   I (     0.00)   A
   68-  68    0.7119E-06    185.1754    5.5514  (B1U)   A (     0.00)   I
   69-  69    0.7553E-06    190.7373    5.7182  (B1U)   A (     0.00)   I
   70-  70    0.7594E-06    191.2609    5.7339  (AG )   I (     0.00)   A
   71-  71    0.7636E-06    191.7857    5.7496  (B2G)   I (     0.00)   A
   72-  72    0.7686E-06    192.4136    5.7684  (B3U)   A (     0.00)   I
   73-  73    0.7727E-06    192.9277    5.7838  (B2U)   A (     0.00)   I
   74-  74    0.7856E-06    194.5349    5.8320  (AU )   I (     0.00)   I
   75-  75    0.7873E-06    194.7429    5.8382  (B2U)   A (     0.00)   I
   76-  76    0.7947E-06    195.6566    5.8656  (AU )   I (     0.00)   I
   77-  77    0.8285E-06    199.7650    5.9888  (B1G)   I (     0.00)   A
   78-  78    0.8418E-06    201.3666    6.0368  (B2G)   I (     0.00)   A
   79-  79    0.8464E-06    201.9149    6.0533  (B1U)   A (     0.00)   I
   80-  80    0.8465E-06    201.9273    6.0536  (B1G)   I (     0.00)   A
   81-  81    0.8552E-06    202.9680    6.0848  (AG )   I (     0.00)   A
   82-  82    0.8699E-06    204.6951    6.1366  (B3G)   I (     0.00)   A
   83-  83    0.8725E-06    205.0035    6.1459  (B3U)   A (     0.00)   I
   84-  84    0.9010E-06    208.3287    6.2455  (B2G)   I (     0.00)   A
   85-  85    0.9122E-06    209.6233    6.2843  (B2U)   A (     0.00)   I
   86-  86    0.9182E-06    210.3037    6.3047  (AG )   I (     0.00)   A
   87-  87    0.9187E-06    210.3667    6.3066  (B1U)   A (     0.00)   I
   88-  88    0.9321E-06    211.8887    6.3523  (AU )   I (     0.00)   I
   89-  89    0.9413E-06    212.9391    6.3838  (B3G)   I (     0.00)   A
   90-  90    0.9431E-06    213.1383    6.3897  (B3U)   A (     0.00)   I
   91-  91    0.9709E-06    216.2571    6.4832  (B3U)   A (     0.00)   I
   92-  92    0.9733E-06    216.5228    6.4912  (B2U)   A (     0.00)   I
   93-  93    0.9843E-06    217.7450    6.5278  (AG )   I (     0.00)   A
   94-  94    0.1003E-05    219.8176    6.5900  (B1G)   I (     0.00)   A
   95-  95    0.1009E-05    220.5035    6.6105  (B3G)   I (     0.00)   A
   96-  96    0.1022E-05    221.8809    6.6518  (AG )   I (     0.00)   A
   97-  97    0.1028E-05    222.4743    6.6696  (B2U)   A (     0.00)   I
   98-  98    0.1032E-05    222.9270    6.6832  (B1U)   A (     0.00)   I
   99-  99    0.1048E-05    224.7105    6.7367  (B2G)   I (     0.00)   A
  100- 100    0.1071E-05    227.1358    6.8094  (B1G)   I (     0.00)   A
  101- 101    0.1073E-05    227.3048    6.8144  (AU )   I (     0.00)   I
  102- 102    0.1088E-05    228.9224    6.8629  (B1U)   A (     0.00)   I
  103- 103    0.1107E-05    230.8916    6.9220  (B3U)   A (     0.00)   I
  104- 104    0.1147E-05    235.0598    7.0469  (AG )   I (     0.00)   A
  105- 105    0.1149E-05    235.2984    7.0541  (B3U)   A (     0.00)   I
  106- 106    0.1159E-05    236.2826    7.0836  (AU )   I (     0.00)   I
  107- 107    0.1173E-05    237.6582    7.1248  (B3G)   I (     0.00)   A
  108- 108    0.1200E-05    240.4125    7.2074  (B2G)   I (     0.00)   A
  109- 109    0.1211E-05    241.5572    7.2417  (AG )   I (     0.00)   A
  110- 110    0.1217E-05    242.0697    7.2571  (AU )   I (     0.00)   I
  111- 111    0.1239E-05    244.2524    7.3225  (B3G)   I (     0.00)   A
  112- 112    0.1271E-05    247.4087    7.4171  (B2U)   A (     0.00)   I
  113- 113    0.1272E-05    247.5622    7.4217  (B2G)   I (     0.00)   A
  114- 114    0.1274E-05    247.6942    7.4257  (B3U)   A (     0.00)   I
  115- 115    0.1275E-05    247.8401    7.4301  (B1G)   I (     0.00)   A
  116- 116    0.1297E-05    249.9686    7.4939  (B2G)   I (     0.00)   A
  117- 117    0.1300E-05    250.2233    7.5015  (AU )   I (     0.00)   I
  118- 118    0.1334E-05    253.5369    7.6008  (B1G)   I (     0.00)   A
  119- 119    0.1339E-05    253.9473    7.6131  (B1U)   A (     0.00)   I
  120- 120    0.1343E-05    254.3529    7.6253  (B3G)   I (     0.00)   A
  121- 121    0.1369E-05    256.8391    7.6998  (B2U)   A (     0.00)   I
  122- 122    0.1373E-05    257.1428    7.7089  (B3G)   I (     0.00)   A
  123- 123    0.1387E-05    258.4697    7.7487  (B2U)   A (     0.00)   I
  124- 124    0.1395E-05    259.1800    7.7700  (AU )   I (     0.00)   I
  125- 125    0.1395E-05    259.2128    7.7710  (B3U)   A (     0.00)   I
  126- 126    0.1398E-05    259.5126    7.7800  (AG )   I (     0.00)   A
  127- 127    0.1411E-05    260.6872    7.8152  (AG )   I (     0.00)   A
  128- 128    0.1414E-05    260.9631    7.8235  (B1G)   I (     0.00)   A
  129- 129    0.1426E-05    262.0626    7.8564  (B3G)   I (     0.00)   A
  130- 130    0.1427E-05    262.1866    7.8602  (B1U)   A (     0.00)   I
  131- 131    0.1449E-05    264.2043    7.9206  (B3U)   A (     0.00)   I
  132- 132    0.1467E-05    265.7857    7.9681  (B2G)   I (     0.00)   A
  133- 133    0.1481E-05    267.0712    8.0066  (AG )   I (     0.00)   A
  134- 134    0.1490E-05    267.8659    8.0304  (AU )   I (     0.00)   I
  135- 135    0.1497E-05    268.5527    8.0510  (B1G)   I (     0.00)   A
  136- 136    0.1507E-05    269.4481    8.0779  (B1U)   A (     0.00)   I
  137- 137    0.1515E-05    270.1739    8.0996  (B2U)   A (     0.00)   I
  138- 138    0.1518E-05    270.4445    8.1077  (AG )   I (     0.00)   A
  139- 139    0.1531E-05    271.5353    8.1404  (B3U)   A (     0.00)   I
  140- 140    0.1554E-05    273.6093    8.2026  (B1U)   A (     0.00)   I
  141- 141    0.1561E-05    274.2374    8.2214  (B1G)   I (     0.00)   A
  142- 142    0.1571E-05    275.1178    8.2478  (B2U)   A (     0.00)   I
  143- 143    0.1573E-05    275.2436    8.2516  (B3G)   I (     0.00)   A
  144- 144    0.1573E-05    275.2454    8.2516  (AU )   I (     0.00)   I
  145- 145    0.1604E-05    277.9749    8.3335  (B1U)   A (     0.00)   I
  146- 146    0.1610E-05    278.4554    8.3479  (B2G)   I (     0.00)   A
  147- 147    0.1624E-05    279.6911    8.3849  (B3U)   A (     0.00)   I
  148- 148    0.1630E-05    280.2386    8.4013  (AU )   I (     0.00)   I
  149- 149    0.1647E-05    281.6437    8.4435  (B2G)   I (     0.00)   A
  150- 150    0.1657E-05    282.4814    8.4686  (B3U)   A (     0.00)   I
  151- 151    0.1662E-05    282.9221    8.4818  (B3G)   I (     0.00)   A
  152- 152    0.1678E-05    284.2645    8.5220  (B2G)   I (     0.00)   A
  153- 153    0.1682E-05    284.6559    8.5338  (B2U)   A (     0.00)   I
  154- 154    0.1708E-05    286.7923    8.5978  (AG )   I (     0.00)   A
  155- 155    0.1730E-05    288.6802    8.6544  (B1U)   A (     0.00)   I
  156- 156    0.1738E-05    289.3361    8.6741  (AU )   I (     0.00)   I
  157- 157    0.1748E-05    290.1989    8.6999  (B1G)   I (     0.00)   A
  158- 158    0.1788E-05    293.5089    8.7992  (B3G)   I (     0.00)   A
  159- 159    0.1830E-05    296.9075    8.9011  (B2U)   A (     0.00)   I
  160- 160    0.1859E-05    299.2190    8.9704  (AU )   I (     0.00)   I
  161- 161    0.1875E-05    300.4930    9.0086  (AG )   I (     0.00)   A
  162- 162    0.1894E-05    302.0339    9.0547  (B3G)   I (     0.00)   A
  163- 163    0.1894E-05    302.0675    9.0558  (B1G)   I (     0.00)   A
  164- 164    0.1905E-05    302.9550    9.0824  (B3U)   A (     0.00)   I
  165- 165    0.1922E-05    304.2895    9.1224  (B1G)   I (     0.00)   A
  166- 166    0.1952E-05    306.6156    9.1921  (B2G)   I (     0.00)   A
  167- 167    0.1955E-05    306.8651    9.1996  (B1U)   A (     0.00)   I
  168- 168    0.1967E-05    307.7927    9.2274  (B2U)   A (     0.00)   I
  169- 169    0.1969E-05    307.9415    9.2319  (AU )   I (     0.00)   I
  170- 170    0.1984E-05    309.1198    9.2672  (B3U)   A (     0.00)   I
  171- 171    0.1996E-05    310.0889    9.2962  (AG )   I (     0.00)   A
  172- 172    0.1998E-05    310.2127    9.2999  (B3G)   I (     0.00)   A
  173- 173    0.2053E-05    314.4698    9.4276  (B2U)   A (     0.00)   I
  174- 174    0.2086E-05    316.9912    9.5032  (AU )   I (     0.00)   I
  175- 175    0.2096E-05    317.7494    9.5259  (B2G)   I (     0.00)   A
  176- 176    0.2103E-05    318.2621    9.5413  (B2U)   A (     0.00)   I
  177- 177    0.2111E-05    318.8496    9.5589  (B1G)   I (     0.00)   A
  178- 178    0.2130E-05    320.3051    9.6025  (B1G)   I (     0.00)   A
  179- 179    0.2143E-05    321.2941    9.6322  (AG )   I (     0.00)   A
  180- 180    0.2148E-05    321.6800    9.6437  (B1U)   A (     0.00)   I
  181- 181    0.2150E-05    321.7971    9.6472  (B3G)   I (     0.00)   A
  182- 182    0.2164E-05    322.8815    9.6797  (B3U)   A (     0.00)   I
  183- 183    0.2235E-05    328.1435    9.8375  (B1U)   A (     0.00)   I
  184- 184    0.2261E-05    330.0389    9.8943  (AU )   I (     0.00)   I
  185- 185    0.2302E-05    332.9695    9.9822  (B2G)   I (     0.00)   A
  186- 186    0.2320E-05    334.3267   10.0229  (B1U)   A (     0.00)   I
  187- 187    0.2344E-05    335.9925   10.0728  (B3G)   I (     0.00)   A
  188- 188    0.2375E-05    338.2050   10.1391  (B2U)   A (     0.00)   I
  189- 189    0.2420E-05    341.4024   10.2350  (AG )   I (     0.00)   A
  190- 190    0.2426E-05    341.8290   10.2478  (B1G)   I (     0.00)   A
  191- 191    0.2439E-05    342.7478   10.2753  (B3U)   A (     0.00)   I
  192- 192    0.2441E-05    342.9221   10.2805  (B2G)   I (     0.00)   A
  193- 193    0.2476E-05    345.3600   10.3536  (B2U)   A (     0.00)   I
  194- 194    0.2566E-05    351.5674   10.5397  (B1U)   A (     0.00)   I
  195- 195    0.2571E-05    351.9394   10.5509  (AU )   I (     0.00)   I
  196- 196    0.2573E-05    352.0801   10.5551  (B3U)   A (     0.00)   I
  197- 197    0.2576E-05    352.2787   10.5610  (AG )   I (     0.00)   A
  198- 198    0.2587E-05    353.0021   10.5827  (B1G)   I (     0.00)   A
  199- 199    0.2592E-05    353.3672   10.5937  (B3G)   I (     0.00)   A
  200- 200    0.2691E-05    360.0561   10.7942  (AU )   I (     0.00)   I
  201- 201    0.2739E-05    363.2455   10.8898  (B2G)   I (     0.00)   A
  202- 202    0.2765E-05    364.9722   10.9416  (B3U)   A (     0.00)   I
  203- 203    0.2782E-05    366.0603   10.9742  (B1U)   A (     0.00)   I
  204- 204    0.2822E-05    368.6695   11.0524  (B2U)   A (     0.00)   I
  205- 205    0.2828E-05    369.0692   11.0644  (AG )   I (     0.00)   A
  206- 206    0.2944E-05    376.6023   11.2903  (B3G)   I (     0.00)   A
  207- 207    0.3033E-05    382.2244   11.4588  (B1G)   I (     0.00)   A
  208- 208    0.3065E-05    384.2624   11.5199  (AU )   I (     0.00)   I
  209- 209    0.3122E-05    387.7895   11.6256  (B2G)   I (     0.00)   A
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  211- 211    0.3135E-05    388.5975   11.6499  (B2U)   A (     0.00)   I
  212- 212    0.3156E-05    389.9090   11.6892  (AG )   I (     0.00)   A
  213- 213    0.3179E-05    391.3172   11.7314  (B1U)   A (     0.00)   I
  214- 214    0.3227E-05    394.2400   11.8190  (B2G)   I (     0.00)   A
  215- 215    0.3252E-05    395.7928   11.8656  (B2U)   A (     0.00)   I
  216- 216    0.3256E-05    396.0207   11.8724  (B1G)   I (     0.00)   A
  217- 217    0.3288E-05    397.9579   11.9305  (B1U)   A (     0.00)   I
  218- 218    0.3309E-05    399.2213   11.9684  (B3G)   I (     0.00)   A
  219- 219    0.3358E-05    402.1969   12.0576  (B2G)   I (     0.00)   A
  220- 220    0.3395E-05    404.4113   12.1239  (B1G)   I (     0.00)   A
  221- 221    0.3455E-05    407.9783   12.2309  (AG )   I (     0.00)   A
  222- 222    0.3486E-05    409.7877   12.2851  (B3U)   A (     0.00)   I
  223- 223    0.3503E-05    410.7644   12.3144  (AU )   I (     0.00)   I
  224- 224    0.3532E-05    412.4748   12.3657  (B2U)   A (     0.00)   I
  225- 225    0.3606E-05    416.7987   12.4953  (B1U)   A (     0.00)   I
  226- 226    0.3684E-05    421.2466   12.6287  (B3G)   I (     0.00)   A
  227- 227    0.3695E-05    421.8606   12.6471  (B3U)   A (     0.00)   I
  228- 228    0.3734E-05    424.0993   12.7142  (B1G)   I (     0.00)   A
  229- 229    0.3745E-05    424.7262   12.7330  (AU )   I (     0.00)   I
  230- 230    0.3750E-05    425.0032   12.7413  (B2U)   A (     0.00)   I
  231- 231    0.3762E-05    425.6804   12.7616  (AU )   I (     0.00)   I
  232- 232    0.3800E-05    427.8219   12.8258  (B3G)   I (     0.00)   A
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  234- 234    0.3835E-05    429.7775   12.8844  (B2G)   I (     0.00)   A
  235- 235    0.3881E-05    432.3780   12.9624  (B2U)   A (     0.00)   I
  236- 236    0.3920E-05    434.5570   13.0277  (B1G)   I (     0.00)   A
  237- 237    0.3933E-05    435.2622   13.0488  (B2G)   I (     0.00)   A
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  239- 239    0.3968E-05    437.1926   13.1067  (AG )   I (     0.00)   A
  240- 240    0.4002E-05    439.0354   13.1619  (B3U)   A (     0.00)   I
  241- 241    0.4672E-05    474.4083   14.2224  (B2U)   A (     0.00)   I
  242- 242    0.4680E-05    474.8151   14.2346  (B1U)   A (     0.00)   I
  243- 243    0.4698E-05    475.7333   14.2621  (AU )   I (     0.00)   I
  244- 244    0.4712E-05    476.4296   14.2830  (B1G)   I (     0.00)   A
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  246- 246    0.4811E-05    481.3716   14.4312  (AG )   I (     0.00)   A
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  248- 248    0.5068E-05    494.0620   14.8116  (AU )   I (     0.00)   I
  249- 249    0.5231E-05    501.9864   15.0492  (B3G)   I (     0.00)   A
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  251- 251    0.5329E-05    506.6420   15.1887  (B2G)   I (     0.00)   A
  252- 252    0.5424E-05    511.1668   15.3244  (B1U)   A (     0.00)   I
  253- 253    0.5433E-05    511.5707   15.3365  (B3U)   A (     0.00)   I
  254- 254    0.5439E-05    511.8613   15.3452  (AG )   I (     0.00)   A
  255- 255    0.5451E-05    512.4200   15.3620  (AU )   I (     0.00)   I
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  258- 258    0.5595E-05    519.1391   15.5634  (B3U)   A (     0.00)   I
  259- 259    0.5609E-05    519.7789   15.5826  (B1U)   A (     0.00)   I
  260- 260    0.5662E-05    522.2610   15.6570  (AU )   I (     0.00)   I
  261- 261    0.5678E-05    522.9970   15.6791  (B3G)   I (     0.00)   A
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  263- 263    0.5851E-05    530.8781   15.9153  (B1G)   I (     0.00)   A
  264- 264    0.5857E-05    531.1399   15.9232  (B2G)   I (     0.00)   A
  265- 265    0.5894E-05    532.8455   15.9743  (AG )   I (     0.00)   A
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  267- 267    0.6026E-05    538.7437   16.1511  (B3U)   A (     0.00)   I
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  269- 269    0.6152E-05    544.3762   16.3200  (AG )   I (     0.00)   A
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  272- 272    0.6382E-05    554.4653   16.6225  (AG )   I (     0.00)   A
  273- 273    0.6402E-05    555.2985   16.6474  (AU )   I (     0.00)   I
  274- 274    0.6426E-05    556.3728   16.6796  (B1G)   I (     0.00)   A
  275- 275    0.6428E-05    556.4420   16.6817  (B3G)   I (     0.00)   A
  276- 276    0.6480E-05    558.6831   16.7489  (B3G)   I (     0.00)   A
  277- 277    0.6520E-05    560.4148   16.8008  (B2U)   A (     0.00)   I
  278- 278    0.6540E-05    561.2695   16.8264  (B1U)   A (     0.00)   I
  279- 279    0.6575E-05    562.7512   16.8709  (B3U)   A (     0.00)   I
  280- 280    0.6576E-05    562.8203   16.8729  (AU )   I (     0.00)   I
  281- 281    0.6660E-05    566.4043   16.9804  (B2G)   I (     0.00)   A
  282- 282    0.6665E-05    566.6310   16.9872  (AG )   I (     0.00)   A
  283- 283    0.6683E-05    567.3808   17.0096  (B1U)   A (     0.00)   I
  284- 284    0.6685E-05    567.4507   17.0117  (B2G)   I (     0.00)   A
  285- 285    0.6765E-05    570.8591   17.1139  (B1G)   I (     0.00)   A
  286- 286    0.6801E-05    572.3712   17.1593  (B2U)   A (     0.00)   I
  287- 287    0.6885E-05    575.8888   17.2647  (B3G)   I (     0.00)   A
  288- 288    0.6911E-05    576.9706   17.2971  (B3U)   A (     0.00)   I
  289- 289    0.6912E-05    577.0266   17.2988  (AG )   I (     0.00)   A
  290- 290    0.6930E-05    577.7834   17.3215  (B1G)   I (     0.00)   A
  291- 291    0.7191E-05    588.5297   17.6437  (AU )   I (     0.00)   I
  292- 292    0.7205E-05    589.1088   17.6610  (B3G)   I (     0.00)   A
  293- 293    0.9235E-05    666.9557   19.9948  (B3U)   A (     0.00)   I
  294- 294    0.9252E-05    667.5615   20.0130  (AG )   I (     0.00)   A
  295- 295    0.9554E-05    678.3849   20.3375  (B3G)   I (     0.00)   A
  296- 296    0.9555E-05    678.4168   20.3384  (AU )   I (     0.00)   I
  297- 297    0.1039E-04    707.5177   21.2108  (B1U)   A (     0.00)   I
  298- 298    0.1042E-04    708.6275   21.2441  (B2U)   A (     0.00)   I
  299- 299    0.1043E-04    708.8290   21.2502  (B2G)   I (     0.00)   A
  300- 300    0.1043E-04    708.8821   21.2518  (B1G)   I (     0.00)   A
  301- 301    0.1377E-04    814.2881   24.4117  (B2G)   I (     0.00)   A
  302- 302    0.1377E-04    814.4241   24.4158  (AG )   I (     0.00)   A
  303- 303    0.1382E-04    815.9962   24.4629  (B1U)   A (     0.00)   I
  304- 304    0.1385E-04    816.7582   24.4858  (B3U)   A (     0.00)   I
  305- 305    0.1390E-04    818.1187   24.5266  (B2U)   A (     0.00)   I
  306- 306    0.1391E-04    818.4397   24.5362  (B1G)   I (     0.00)   A
  307- 307    0.1391E-04    818.6693   24.5431  (AU )   I (     0.00)   I
  308- 308    0.1401E-04    821.5325   24.6289  (B2U)   A (     0.00)   I
  309- 309    0.1408E-04    823.4306   24.6858  (B3G)   I (     0.00)   A
  310- 310    0.1417E-04    826.2185   24.7694  (B1U)   A (     0.00)   I
  311- 311    0.1419E-04    826.7463   24.7852  (B1G)   I (     0.00)   A
  312- 312    0.1480E-04    844.4255   25.3152  (B3G)   I (     0.00)   A
  313- 313    0.1486E-04    846.0695   25.3645  (B3U)   A (     0.00)   I
  314- 314    0.1489E-04    846.8211   25.3871  (B2G)   I (     0.00)   A
  315- 315    0.1489E-04    846.9583   25.3912  (AG )   I (     0.00)   A
  316- 316    0.1492E-04    847.6283   25.4113  (AU )   I (     0.00)   I
  317- 317    0.1500E-04    849.8814   25.4788  (B1G)   I (     0.00)   A
  318- 318    0.1505E-04    851.5698   25.5294  (AG )   I (     0.00)   A
  319- 319    0.1507E-04    852.1423   25.5466  (B1U)   A (     0.00)   I
  320- 320    0.1510E-04    852.8770   25.5686  (B3G)   I (     0.00)   A
  321- 321    0.1519E-04    855.2653   25.6402  (B2G)   I (     0.00)   A
  322- 322    0.1522E-04    856.2961   25.6711  (B3U)   A (     0.00)   I
  323- 323    0.1564E-04    868.1046   26.0251  (AU )   I (     0.00)   I
  324- 324    0.1565E-04    868.1199   26.0256  (B2U)   A (     0.00)   I
  325- 325    0.1626E-04    884.9723   26.5308  (B3G)   I (     0.00)   A
  326- 326    0.1632E-04    886.5223   26.5773  (B1U)   A (     0.00)   I
  327- 327    0.1632E-04    886.5511   26.5781  (B1G)   I (     0.00)   A
  328- 328    0.1659E-04    894.0461   26.8028  (B2U)   A (     0.00)   I
  329- 329    0.1660E-04    894.1871   26.8071  (AG )   I (     0.00)   A
  330- 330    0.1660E-04    894.1987   26.8074  (B3U)   A (     0.00)   I
  331- 331    0.1660E-04    894.2200   26.8080  (B1G)   I (     0.00)   A
  332- 332    0.1667E-04    895.9958   26.8613  (AU )   I (     0.00)   I
  333- 333    0.1682E-04    900.1608   26.9861  (B2G)   I (     0.00)   A
  334- 334    0.1702E-04    905.5615   27.1481  (AG )   I (     0.00)   A
  335- 335    0.1708E-04    907.1677   27.1962  (B3G)   I (     0.00)   A
  336- 336    0.1711E-04    907.9120   27.2185  (B2G)   I (     0.00)   A
  337- 337    0.1713E-04    908.4728   27.2353  (B1U)   A (     0.00)   I
  338- 338    0.1717E-04    909.4571   27.2648  (B2U)   A (     0.00)   I
  339- 339    0.1755E-04    919.5403   27.5671  (AU )   I (     0.00)   I
  340- 340    0.1776E-04    925.0260   27.7316  (B3U)   A (     0.00)   I
  341- 341    0.1791E-04    928.7042   27.8419  (B2G)   I (     0.00)   A
  342- 342    0.1791E-04    928.7736   27.8439  (B1U)   A (     0.00)   I
  343- 343    0.1791E-04    928.9438   27.8490  (B2U)   A (     0.00)   I
  344- 344    0.1792E-04    928.9961   27.8506  (AG )   I (     0.00)   A
  345- 345    0.1793E-04    929.3367   27.8608  (AU )   I (     0.00)   I
  346- 346    0.1808E-04    933.2904   27.9793  (B1G)   I (     0.00)   A
  347- 347    0.1809E-04    933.3689   27.9817  (B3G)   I (     0.00)   A
  348- 348    0.1832E-04    939.2993   28.1595  (B3U)   A (     0.00)   I
  349- 349    0.1835E-04    940.2068   28.1867  (B1U)   A (     0.00)   I
  350- 350    0.1879E-04    951.4513   28.5238  (AG )   I (     0.00)   A
  351- 351    0.1880E-04    951.4936   28.5251  (B1G)   I (     0.00)   A
  352- 352    0.1881E-04    951.8774   28.5366  (B2G)   I (     0.00)   A
  353- 353    0.1894E-04    955.2409   28.6374  (B3U)   A (     0.00)   I
  354- 354    0.1896E-04    955.6098   28.6485  (B3G)   I (     0.00)   A
  355- 355    0.1901E-04    956.8056   28.6843  (B2U)   A (     0.00)   I
  356- 356    0.1912E-04    959.6429   28.7694  (AU )   I (     0.00)   I
  357- 357    0.1972E-04    974.5370   29.2159  (AG )   I (     0.00)   A
  358- 358    0.1977E-04    975.9307   29.2577  (B3U)   A (     0.00)   I
  359- 359    0.1993E-04    979.8747   29.3759  (B1U)   A (     0.00)   I
  360- 360    0.2005E-04    982.6290   29.4585  (B2U)   A (     0.00)   I
  361- 361    0.2005E-04    982.6669   29.4596  (B1G)   I (     0.00)   A
  362- 362    0.2005E-04    982.7058   29.4608  (B2G)   I (     0.00)   A
  363- 363    0.2048E-04    993.3024   29.7785  (AG )   I (     0.00)   A
  364- 364    0.2052E-04    994.2797   29.8078  (B3U)   A (     0.00)   I
  365- 365    0.2081E-04   1001.1864   30.0148  (B3G)   I (     0.00)   A
  366- 366    0.2082E-04   1001.4484   30.0227  (AU )   I (     0.00)   I
  367- 367    0.2135E-04   1014.1777   30.4043  (B3G)   I (     0.00)   A
  368- 368    0.2137E-04   1014.4907   30.4137  (AU )   I (     0.00)   I
  369- 369    0.2235E-04   1037.6798   31.1089  (B1G)   I (     0.00)   A
  370- 370    0.2237E-04   1038.0061   31.1186  (B2U)   A (     0.00)   I
  371- 371    0.2276E-04   1047.0913   31.3910  (B1U)   A (     0.00)   I
  372- 372    0.2331E-04   1059.7395   31.7702  (B2G)   I (     0.00)   A

 HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH
 VIBRATIONAL ANALYSIS:
 1) EACH PAIR OF BONDED ATOMS (I.E. WITHIN THEIR VAN DER WAALS DISTANCE) A AND
 B IS EXAMINED TO SEE IF THERE IS A LARGE RELATIVE MOTION BETWEEN THEM.
 2) IF SO, THE AB MOTION IS DECOMPOSED IN THREE COMPONENTS: ALONG A-B(LONG),
 ON THE PLANE CONTAING A THIRD ATOM C (ANG) AND OUT OF THE PLANE (OUT).
 LONG+ANG+OUT=1.
 3) THE MODES ARE CLASSIFIED SO AS: LONG > 0.85 -> STRETCHING (S);
 ANG > 0.85 -> BENDING (B); OTHERWISE -> OTHER (O). TYPE (?) MEANS THE MODE IS
 LIKELY TO BE ROTATIONAL. THE POTENTIAL ENERGY CONTRIBUTION (PEC) IS IN KJ/MOL.
 HHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHHH

  MODE FRQ(CM**-1) IRREP TYP     A      B  LONG      C  ANG     PEC
    1     -3.2167  (B2U)
    2     -2.1935  (B1U)
    3     -2.0721  (B3U)
    4     42.3096  (B1U)
                         (?)   49 CA  33 CA(0.0)  27 CA(1.0)    0.0
                         (?)   50 CA  34 CA(0.0)  28 CA(1.0)    0.0
                         (?)   50 CA  35 CA(0.0)  25 CA(1.0)    0.0
                         (?)   49 CA  36 CA(0.0)  26 CA(1.0)    0.0
                         (?)   51 CA  37 CA(0.0)  23 CA(1.0)    0.0
                         (?)   52 CA  38 CA(0.0)  24 CA(1.0)    0.0
                         (?)   52 CA  39 CA(0.0)  21 CA(1.0)    0.0
                         (?)   51 CA  40 CA(0.0)  22 CA(1.0)    0.0
    5     46.6979  (AG )
                         (?)   33 CA  29 CA(0.0)  27 CA(1.0)    0.0
                         (?)   34 CA  30 CA(0.0)  24 CA(1.0)    0.0
                         (?)   38 CA  30 CA(0.0)  24 CA(1.0)    0.0
                         (?)   39 CA  31 CA(0.0)  21 CA(1.0)    0.0
                         (?)   36 CA  32 CA(0.0)  22 CA(1.0)    0.0
                         (?)   40 CA  32 CA(0.0)  22 CA(1.0)    0.0
    6     49.9819  (AU )
                         (?)   49 CA  33 CA(0.0)  93 O (0.9)    0.0
                         (?)   34 CA  50 CA(0.0)  94 O (0.9)    0.0
                         (?)   50 CA  35 CA(0.0)  95 O (0.9)    0.0
                         (?)   49 CA  36 CA(0.0)  96 O (0.9)    0.0
                         (?)   51 CA  37 CA(0.0)  97 O (0.9)    0.0
                         (?)   52 CA  38 CA(0.0)  98 O (0.9)    0.0
                         (?)   52 CA  39 CA(0.0)  99 O (0.9)    0.0
                         (?)   51 CA  40 CA(0.0) 100 O (0.9)    0.0
    7     51.3072  (B1G)
                         (?)   29 CA  33 CA(0.0)  93 O (1.0)    0.0
                         (?)   30 CA  34 CA(0.0)  94 O (1.0)    0.0
                         (?)   30 CA  38 CA(0.0)  98 O (1.0)    0.0
                         (?)   31 CA  39 CA(0.0)  99 O (1.0)    0.0
                         (?)   32 CA  36 CA(0.0)  96 O (1.0)    0.0
                         (?)   32 CA  40 CA(0.0) 100 O (1.0)    0.0
    8     66.6035  (B3U)
                         (?)   49 CA  33 CA(0.6)  29 CA(0.4)    0.0
                         (?)   50 CA  34 CA(0.6)  30 CA(0.4)    0.0
                         (?)   35 CA  50 CA(0.6)  48 CA(0.4)    0.0
                         (?)   49 CA  36 CA(0.6)  32 CA(0.4)    0.0
                         (?)   37 CA  51 CA(0.6)  42 CA(0.4)    0.0
                         (?)   52 CA  38 CA(0.6)  30 CA(0.4)    0.0
                         (?)   52 CA  39 CA(0.6)  31 CA(0.4)    0.0
                         (?)   51 CA  40 CA(0.6)  32 CA(0.4)    0.0
    9     75.2734  (B2G)
                         (?)   49 CA  33 CA(0.2)  27 CA(0.8)    0.0
                         (?)   50 CA  34 CA(0.2)  28 CA(0.8)    0.0
                         (?)   50 CA  35 CA(0.2)  25 CA(0.8)    0.0
                         (?)   49 CA  36 CA(0.2)  26 CA(0.8)    0.0
                         (?)   51 CA  37 CA(0.2)  23 CA(0.8)    0.0
                         (?)   52 CA  38 CA(0.2)  24 CA(0.8)    0.0
                         (?)   52 CA  39 CA(0.2)  21 CA(0.8)    0.0
                         (?)   51 CA  40 CA(0.2)  22 CA(0.8)    0.0
                         (?)  123 O   41 CA(0.0)  33 CA(1.0)    0.0
                         (?)  124 O   42 CA(0.0)  34 CA(1.0)    0.0
                         (?)  121 O   43 CA(0.0)  35 CA(1.0)    0.0
                         (?)  122 O   44 CA(0.0)  36 CA(1.0)    0.0
                         (?)  119 O   45 CA(0.0)  37 CA(1.0)    0.0
                         (?)  120 O   46 CA(0.0)  38 CA(1.0)    0.0
                         (?)  117 O   47 CA(0.0)  39 CA(1.0)    0.0
                         (?)  118 O   48 CA(0.0)  40 CA(1.0)    0.0
   10     77.1732  (B2U)
                         (?)   39 CA  21 CA(0.0)  31 CA(1.0)    0.0
                         (?)   22 CA  40 CA(0.0)  32 CA(1.0)    0.0
                         (?)   23 CA  37 CA(0.0)  51 CA(1.0)    0.0
                         (?)   38 CA  24 CA(0.0)  30 CA(1.0)    0.0
                         (?)   25 CA  35 CA(0.0)  50 CA(1.0)    0.0
                         (?)   26 CA  36 CA(0.0)  32 CA(1.0)    0.0
                         (?)   27 CA  33 CA(0.0)  29 CA(1.0)    0.0
                         (?)   28 CA  34 CA(0.0)  30 CA(1.0)    0.0
                         (?)   47 CA  33 CA(0.0)  27 CA(1.0)    0.0
                         (?)   48 CA  34 CA(0.0)  28 CA(1.0)    0.0
                         (?)   45 CA  35 CA(0.0)  25 CA(1.0)    0.0
                         (?)   46 CA  36 CA(0.0)  26 CA(1.0)    0.0
                         (?)   43 CA  37 CA(0.0)  23 CA(1.0)    0.0
                         (?)   44 CA  38 CA(0.0)  24 CA(1.0)    0.0
                         (?)   41 CA  39 CA(0.0)  21 CA(1.0)    0.0
                         (?)   42 CA  40 CA(0.0)  22 CA(1.0)    0.0
   11     88.1615  (B2G)
                         (?)   33 CA  29 CA(0.6)  27 CA(0.4)    0.0
                         (?)   34 CA  30 CA(0.6)  24 CA(0.4)    0.0
                         (?)   38 CA  30 CA(0.6)  24 CA(0.4)    0.0
                         (?)   39 CA  31 CA(0.6)  21 CA(0.4)    0.0
                         (?)   36 CA  32 CA(0.6)  22 CA(0.4)    0.0
                         (?)   40 CA  32 CA(0.6)  22 CA(0.4)    0.0
   12     91.1865  (B2U)
                         (?)   21 CA  31 CA(0.0)  39 CA(0.9)    0.0
                         (?)   32 CA  22 CA(0.0)  40 CA(0.9)    0.0
                         (?)   24 CA  30 CA(0.0)  34 CA(0.9)    0.0
                         (?)   26 CA  32 CA(0.0)  36 CA(0.9)    0.0
                         (?)   27 CA  29 CA(0.0)  33 CA(0.9)    0.0
                         (?)   28 CA  30 CA(0.0)  34 CA(0.9)    0.0
                         (?)   41 CA  33 CA(0.0)  29 CA(1.0)    0.0
                         (?)   41 CA  33 CA(0.2)  53 O (0.8)    0.0
                         (?)   49 CA  33 CA(0.0)   1 SI(0.9)    0.0
                         (?)   42 CA  34 CA(0.0)  30 CA(1.0)    0.0
                         (?)   42 CA  34 CA(0.2)  54 O (0.8)    0.0
                         (?)   50 CA  34 CA(0.0)   2 SI(0.9)    0.0
                         (?)   35 CA  43 CA(0.0)  89 O (1.0)    0.0
                         (?)   43 CA  35 CA(0.2)  55 O (0.8)    0.0
                         (?)   50 CA  35 CA(0.0)   3 SI(0.9)    0.0
                         (?)   44 CA  36 CA(0.0)  32 CA(1.0)    0.0
                         (?)   44 CA  36 CA(0.2)  56 O (0.8)    0.0
                         (?)   49 CA  36 CA(0.0)   4 SI(0.9)    0.0
                         (?)   37 CA  45 CA(0.0)  87 O (1.0)    0.0
                         (?)   45 CA  37 CA(0.2)  57 O (0.8)    0.0
                         (?)   51 CA  37 CA(0.0)   5 SI(0.9)    0.0
                         (?)   46 CA  38 CA(0.0)  30 CA(1.0)    0.0
                         (?)   46 CA  38 CA(0.2)  58 O (0.8)    0.0
                         (?)   52 CA  38 CA(0.0)   6 SI(0.9)    0.0
                         (?)   47 CA  39 CA(0.0)  31 CA(1.0)    0.0
                         (?)   47 CA  39 CA(0.2)  59 O (0.8)    0.0
                         (?)   52 CA  39 CA(0.0)   7 SI(0.9)    0.0
                         (?)   48 CA  40 CA(0.0)  32 CA(1.0)    0.0
                         (?)   48 CA  40 CA(0.2)  60 O (0.8)    0.0
                         (?)   51 CA  40 CA(0.0)   8 SI(0.9)    0.0
   13     93.8092  (AU )
                         (?)   21 CA  31 CA(0.0)  39 CA(1.0)    0.0
                         (?)   21 CA  39 CA(0.0)  41 CA(1.0)    0.0
                         (?)   22 CA  32 CA(0.0)  36 CA(1.0)    0.0
                         (?)   22 CA  40 CA(0.0)  42 CA(1.0)    0.0
                         (?)   23 CA  37 CA(0.0)  43 CA(1.0)    0.0
                         (?)   24 CA  30 CA(0.0)  34 CA(1.0)    0.0
                         (?)   24 CA  38 CA(0.0)  44 CA(1.0)    0.0
                         (?)   25 CA  35 CA(0.0)  45 CA(1.0)    0.0
                         (?)   26 CA  32 CA(0.0)  36 CA(1.0)    0.0
                         (?)   26 CA  36 CA(0.0)  46 CA(1.0)    0.0
                         (?)   27 CA  29 CA(0.0)  33 CA(1.0)    0.0
                         (?)   27 CA  33 CA(0.0)  47 CA(1.0)    0.0
                         (?)   28 CA  30 CA(0.0)  34 CA(1.0)    0.0
                         (?)   28 CA  34 CA(0.0)  48 CA(1.0)    0.0
                         (?)   29 CA  33 CA(0.0)  49 CA(1.0)    0.0
                         (?)   30 CA  34 CA(0.0)  50 CA(1.0)    0.0
                         (?)   30 CA  38 CA(0.0)  52 CA(1.0)    0.0
                         (?)   31 CA  39 CA(0.0)  52 CA(1.0)    0.0
                         (?)   32 CA  36 CA(0.0)  49 CA(1.0)    0.0
                         (?)   32 CA  40 CA(0.0)  51 CA(1.0)    0.0
                         (?)   47 CA  33 CA(0.1)  29 CA(0.9)    0.0
                         (?)   48 CA  34 CA(0.1)  30 CA(0.9)    0.0
                         (?)   35 CA  45 CA(0.1)  50 CA(0.9)    0.0
                         (?)   46 CA  36 CA(0.1)  32 CA(0.9)    0.0
                         (?)   43 CA  37 CA(0.1)  51 CA(0.9)    0.0
                         (?)   44 CA  38 CA(0.1)  30 CA(0.9)    0.0
                         (?)   41 CA  39 CA(0.1)  31 CA(0.9)    0.0
                         (?)   42 CA  40 CA(0.1)  32 CA(0.9)    0.0
   14     96.1482  (B3G)
                         (?)   93 O   49 CA(0.7) 109 O (0.3)    0.0
                         (?)   96 O   49 CA(0.7) 112 O (0.3)    0.0
                         (?)   94 O   50 CA(0.7) 110 O (0.3)    0.0
                         (?)   95 O   50 CA(0.7) 111 O (0.3)    0.0
                         (?)   97 O   51 CA(0.7) 113 O (0.3)    0.0
                         (?)  100 O   51 CA(0.7) 116 O (0.3)    0.0
                         (?)   98 O   52 CA(0.7) 114 O (0.3)    0.0
                         (?)   99 O   52 CA(0.7) 115 O (0.3)    0.0
   15     97.1412  (B3U)
                         (?)   33 CA  29 CA(0.0)  27 CA(1.0)    0.0
                         (?)   34 CA  30 CA(0.0)  24 CA(1.0)    0.0
                         (?)   38 CA  30 CA(0.0)  24 CA(1.0)    0.0
                         (?)   39 CA  31 CA(0.0)  21 CA(1.0)    0.0
                         (?)   32 CA  36 CA(0.0)  26 CA(1.0)    0.0
                         (?)   40 CA  32 CA(0.0)  22 CA(1.0)    0.0
   16    101.3872  (B1G)
                         (B)   17 SI  52 CA(0.0)  98 O (0.9)    0.0
                         (B)   18 SI  51 CA(0.0)  97 O (0.9)    0.0
                         (B)   19 SI  50 CA(0.0)  94 O (0.9)    0.0
                         (B)   20 SI  49 CA(0.0)  96 O (0.9)    0.0
                         (B)   41 CA  33 CA(0.0)  61 O (1.0)    0.0
                         (B)   41 CA  33 CA(0.0)  53 O (1.0)    0.0
                         (B)   34 CA  42 CA(0.0)  62 O (1.0)    0.0
                         (B)   42 CA  34 CA(0.0)  54 O (1.0)    0.0
                         (B)   35 CA  43 CA(0.0)  63 O (1.0)    0.0
                         (B)   43 CA  35 CA(0.0)  55 O (1.0)    0.0
                         (B)   36 CA  44 CA(0.0)  64 O (1.0)    0.0
                         (B)   44 CA  36 CA(0.0)  56 O (1.0)    0.0
                         (B)   45 CA  37 CA(0.0)  65 O (1.0)    0.0
                         (B)   45 CA  37 CA(0.0)  57 O (1.0)    0.0
                         (B)   46 CA  38 CA(0.0)  66 O (1.0)    0.0
                         (B)   46 CA  38 CA(0.0)  58 O (1.0)    0.0
                         (B)   47 CA  39 CA(0.0)  67 O (1.0)    0.0
                         (B)   47 CA  39 CA(0.0)  59 O (1.0)    0.0
                         (B)   40 CA  48 CA(0.0)  68 O (1.0)    0.0
                         (B)   48 CA  40 CA(0.0)  60 O (1.0)    0.0
   17    106.0052  (B1U)
                         (B)   29 CA  33 CA(0.0)  47 CA(1.0)    0.0
                         (B)   30 CA  34 CA(0.0)  48 CA(1.0)    0.0
                         (B)   30 CA  38 CA(0.0)  44 CA(1.0)    0.0
                         (B)   31 CA  39 CA(0.0)  41 CA(1.0)    0.0
                         (B)   32 CA  36 CA(0.0)  46 CA(1.0)    0.0
                         (B)   32 CA  40 CA(0.0)  42 CA(1.0)    0.0
   18    106.9444  (B1G)
                         (B)  123 O   41 CA(0.0)  61 O (0.9)    0.0
                         (B)  124 O   42 CA(0.0)  62 O (0.9)    0.0
                         (B)  121 O   43 CA(0.0)  63 O (0.9)    0.0
                         (B)  122 O   44 CA(0.0)  64 O (0.9)    0.0
                         (B)  119 O   45 CA(0.0)  65 O (0.9)    0.0
                         (B)  120 O   46 CA(0.0)  66 O (0.9)    0.0
                         (B)  117 O   47 CA(0.0)  67 O (0.9)    0.0
                         (B)  118 O   48 CA(0.0)  68 O (0.9)    0.0
   19    111.3702  (B2U)
                         (B)   85 O   21 CA(0.0)  67 O (0.9)    0.0
                         (B)   86 O   22 CA(0.0)  74 O (1.0)    0.0
                         (B)   87 O   23 CA(0.0)  65 O (0.9)    0.0
                         (B)   88 O   24 CA(0.0)  76 O (1.0)    0.0
                         (B)   89 O   25 CA(0.0)  63 O (0.9)    0.0
                         (B)   90 O   26 CA(0.0)  70 O (1.0)    0.0
                         (B)   91 O   27 CA(0.0)  61 O (0.9)    0.0
                         (B)   92 O   28 CA(0.0)  72 O (1.0)    0.0
   20    112.9913  (B3G)
                         (B)   21 CA  39 CA(0.2)  41 CA(0.8)    0.0
                         (B)   22 CA  40 CA(0.2)  42 CA(0.8)    0.0
                         (B)   23 CA  37 CA(0.2)  43 CA(0.8)    0.0
                         (B)   24 CA  38 CA(0.2)  44 CA(0.8)    0.0
                         (B)   25 CA  35 CA(0.2)  45 CA(0.8)    0.0
                         (B)   26 CA  36 CA(0.2)  46 CA(0.8)    0.0
                         (B)   27 CA  33 CA(0.2)  47 CA(0.8)    0.0
                         (B)   28 CA  34 CA(0.2)  48 CA(0.8)    0.0
                         (B)   49 CA  33 CA(0.0)  29 CA(1.0)    0.0
                         (B)   50 CA  34 CA(0.0)  30 CA(1.0)    0.0
                         (B)   35 CA  50 CA(0.0) 121 O (1.0)    0.0
                         (B)   49 CA  36 CA(0.0)  32 CA(1.0)    0.0
                         (B)   37 CA  51 CA(0.0) 119 O (1.0)    0.0
                         (B)   52 CA  38 CA(0.0)  30 CA(1.0)    0.0
                         (B)   52 CA  39 CA(0.0)  31 CA(1.0)    0.0
                         (B)   51 CA  40 CA(0.0)  32 CA(1.0)    0.0
   21    113.1081  (B1U)
                         (O)   17 SI  52 CA(0.0) 106 O (0.7)    0.0
                         (O)   18 SI  51 CA(0.0) 108 O (0.7)    0.0
                         (O)   19 SI  50 CA(0.0) 103 O (0.7)    0.0
                         (O)   20 SI  49 CA(0.0) 101 O (0.7)    0.0
   22    117.6498  (B2G)
                         (O)   17 SI  52 CA(0.0) 106 O (0.8)    0.0
                         (O)   18 SI  51 CA(0.0) 108 O (0.8)    0.0
                         (O)   19 SI  50 CA(0.0) 103 O (0.8)    0.0
                         (O)   20 SI  49 CA(0.0) 101 O (0.8)    0.0
   23    119.2012  (AG )
                         (B)   49 CA  33 CA(0.2)  27 CA(0.8)    0.0
                         (B)   50 CA  34 CA(0.2)  28 CA(0.8)    0.0
                         (B)   50 CA  35 CA(0.2)  25 CA(0.8)    0.0
                         (B)   49 CA  36 CA(0.2)  26 CA(0.8)    0.0
                         (B)   51 CA  37 CA(0.2)  23 CA(0.8)    0.0
                         (B)   52 CA  38 CA(0.2)  24 CA(0.8)    0.0
                         (B)   52 CA  39 CA(0.2)  21 CA(0.8)    0.0
                         (B)   51 CA  40 CA(0.2)  22 CA(0.8)    0.0
   24    120.1803  (AU )
                         (S)   93 O   49 CA(0.7)  20 SI(0.3)    0.0
                         (S)   96 O   49 CA(0.7)  20 SI(0.3)    0.0
                         (B)  101 O   49 CA(0.3) 104 O (0.7)    0.0
                         (B)  104 O   49 CA(0.3)  20 SI(0.7)    0.0
                         (S)   94 O   50 CA(0.7)  19 SI(0.3)    0.0
                         (S)   95 O   50 CA(0.7)  19 SI(0.3)    0.0
                         (B)  102 O   50 CA(0.3)  19 SI(0.7)    0.0
                         (B)  103 O   50 CA(0.3) 102 O (0.7)    0.0
                         (S)   97 O   51 CA(0.7)  18 SI(0.3)    0.0
                         (S)  100 O   51 CA(0.7)  18 SI(0.3)    0.0
                         (B)  105 O   51 CA(0.3)  18 SI(0.7)    0.0
                         (B)  108 O   51 CA(0.3) 105 O (0.7)    0.0
                         (S)   98 O   52 CA(0.7)  17 SI(0.3)    0.0
                         (S)   99 O   52 CA(0.7)  17 SI(0.3)    0.0
                         (B)  106 O   52 CA(0.3) 107 O (0.7)    0.0
                         (B)  107 O   52 CA(0.3)  17 SI(0.7)    0.0
   25    120.5114  (B3U)
                         (B)   31 CA  21 CA(0.0)  33 CA(1.0)    0.0
                         (B)   32 CA  22 CA(0.0)  34 CA(1.0)    0.0
                         (B)   30 CA  24 CA(0.0)  36 CA(1.0)    0.0
                         (B)   32 CA  26 CA(0.0)  38 CA(1.0)    0.0
                         (B)   29 CA  27 CA(0.0)  39 CA(1.0)    0.0
                         (B)   30 CA  28 CA(0.0)  40 CA(1.0)    0.0
   26    121.3071  (AU )
                         (B)   29 CA  21 CA(0.3)  31 CA(0.7)    0.0
                         (B)   29 CA  21 CA(0.1)  75 O (0.9)    0.0
                         (S)   21 CA  31 CA(0.6)  39 CA(0.4)    0.0
                         (B)   30 CA  22 CA(0.3)  32 CA(0.7)    0.0
                         (B)   30 CA  22 CA(0.1)  76 O (0.9)    0.0
                         (S)   32 CA  22 CA(0.6)  40 CA(0.4)    0.0
                         (S)   24 CA  30 CA(0.6)  34 CA(0.4)    0.0
                         (B)   32 CA  24 CA(0.3)  30 CA(0.7)    0.0
                         (B)   32 CA  24 CA(0.1)  74 O (0.9)    0.0
                         (B)   30 CA  26 CA(0.1)  72 O (0.9)    0.0
                         (B)   30 CA  26 CA(0.3)  32 CA(0.7)    0.0
                         (S)   26 CA  32 CA(0.6)  40 CA(0.4)    0.0
                         (S)   27 CA  29 CA(0.6)  33 CA(0.4)    0.0
                         (B)   31 CA  27 CA(0.3)  29 CA(0.7)    0.0
                         (B)   31 CA  27 CA(0.1)  69 O (0.9)    0.0
                         (S)   28 CA  30 CA(0.6)  38 CA(0.4)    0.0
                         (B)   32 CA  28 CA(0.3)  30 CA(0.7)    0.0
                         (B)   32 CA  28 CA(0.1)  70 O (0.9)    0.0
                         (B)   33 CA  29 CA(0.0)  27 CA(1.0)    0.0
                         (B)   34 CA  30 CA(0.0)  24 CA(1.0)    0.0
                         (B)   38 CA  30 CA(0.0)  24 CA(1.0)    0.0
                         (B)   39 CA  31 CA(0.0)  21 CA(1.0)    0.0
                         (B)   36 CA  32 CA(0.0)  22 CA(1.0)    0.0
                         (B)   40 CA  32 CA(0.0)  22 CA(1.0)    0.0
   27    122.6509  (B1G)
                         (B)   21 CA  39 CA(0.1)  41 CA(0.9)    0.0
                         (B)   22 CA  40 CA(0.1)  42 CA(0.9)    0.0
                         (B)   23 CA  37 CA(0.1)  43 CA(0.9)    0.0
                         (B)   24 CA  38 CA(0.1)  44 CA(0.9)    0.0
                         (B)   25 CA  35 CA(0.1)  45 CA(0.9)    0.0
                         (B)   26 CA  36 CA(0.1)  46 CA(0.9)    0.0
                         (B)   27 CA  33 CA(0.1)  47 CA(0.9)    0.0
                         (B)   28 CA  34 CA(0.1)  48 CA(0.9)    0.0
   28    123.0966  (B2U)
                         (B)   33 CA  29 CA(0.0)  27 CA(1.0)    0.0
                         (B)   34 CA  30 CA(0.0)  24 CA(1.0)    0.0
                         (B)   38 CA  30 CA(0.0)  24 CA(1.0)    0.0
                         (B)   39 CA  31 CA(0.0)  21 CA(1.0)    0.0
                         (B)   36 CA  32 CA(0.0)  22 CA(1.0)    0.0
                         (B)   40 CA  32 CA(0.0)  22 CA(1.0)    0.0
   29    125.3173  (B1U)
                         (B)   33 CA  49 CA(0.0)  93 O (1.0)    0.0
                         (B)   34 CA  50 CA(0.0)  94 O (1.0)    0.0
                         (B)   50 CA  35 CA(0.0)  95 O (1.0)    0.0
                         (B)   49 CA  36 CA(0.0)  96 O (1.0)    0.0
                         (B)   37 CA  51 CA(0.0)  97 O (1.0)    0.0
                         (B)   52 CA  38 CA(0.0)  98 O (1.0)    0.0
                         (B)   52 CA  39 CA(0.0)  99 O (1.0)    0.0
                         (B)   51 CA  40 CA(0.0) 100 O (1.0)    0.0
                         (S)  109 O   49 CA(0.6)  96 O (0.4)    0.0
                         (S)  112 O   49 CA(0.6)  93 O (0.4)    0.0
                         (S)  110 O   50 CA(0.6)  95 O (0.4)    0.0
                         (S)  111 O   50 CA(0.6)  94 O (0.4)    0.0
                         (S)  113 O   51 CA(0.6) 100 O (0.4)    0.0
                         (S)  116 O   51 CA(0.6)  97 O (0.4)    0.0
                         (S)  114 O   52 CA(0.6)  99 O (0.4)    0.0
                         (S)  115 O   52 CA(0.6)  98 O (0.4)    0.0
   30    127.9718  (B3G)
                         (B)   21 CA  39 CA(0.0)  52 CA(1.0)    0.0
                         (B)   22 CA  40 CA(0.0)  51 CA(1.0)    0.0
                         (B)   23 CA  37 CA(0.0)  51 CA(1.0)    0.0
                         (B)   24 CA  38 CA(0.0)  52 CA(1.0)    0.0
                         (B)   25 CA  35 CA(0.0)  50 CA(1.0)    0.0
                         (B)   26 CA  36 CA(0.0)  49 CA(1.0)    0.0
                         (B)   27 CA  33 CA(0.0)  49 CA(1.0)    0.0
                         (B)   28 CA  34 CA(0.0)  50 CA(1.0)    0.0
   31    130.4612  (B2G)
                         (B)   52 CA  41 CA(0.0)  33 CA(1.0)    0.0
                         (B)   51 CA  42 CA(0.0)  34 CA(1.0)    0.0
                         (B)   51 CA  43 CA(0.0)  35 CA(1.0)    0.0
                         (B)   52 CA  44 CA(0.0)  36 CA(1.0)    0.0
                         (B)   50 CA  45 CA(0.0)  37 CA(1.0)    0.0
                         (B)   49 CA  46 CA(0.0)  38 CA(1.0)    0.0
                         (B)   49 CA  47 CA(0.0)  39 CA(1.0)    0.0
                         (B)   50 CA  48 CA(0.0)  40 CA(1.0)    0.0
                         (S)   49 CA 101 O (0.5)  47 CA(0.5)    0.0
                         (S)  104 O   49 CA(0.5)  46 CA(0.5)    0.0
                         (S)   50 CA 102 O (0.5)  48 CA(0.5)    0.0
                         (S)  103 O   50 CA(0.5)  45 CA(0.5)    0.0
                         (S)  105 O   51 CA(0.5)  43 CA(0.5)    0.0
                         (S)   51 CA 108 O (0.5)  42 CA(0.5)    0.0
                         (S)  106 O   52 CA(0.5)  44 CA(0.5)    0.0
                         (S)   52 CA 107 O (0.5)  41 CA(0.5)    0.0
   32    130.5367  (B1U)
                         (B)   17 SI  52 CA(0.0) 106 O (1.0)    0.0
                         (B)   18 SI  51 CA(0.0) 105 O (1.0)    0.0
                         (B)   19 SI  50 CA(0.0) 102 O (1.0)    0.0
                         (B)   20 SI  49 CA(0.0) 104 O (1.0)    0.0
                         (B)   52 CA  41 CA(0.1) 107 O (0.8)    0.0
                         (B)   51 CA  42 CA(0.1) 108 O (0.8)    0.0
                         (B)   43 CA  51 CA(0.1) 105 O (0.8)    0.0
                         (B)   44 CA  52 CA(0.1) 106 O (0.8)    0.0
                         (B)   45 CA  50 CA(0.1) 103 O (0.8)    0.0
                         (B)   49 CA  46 CA(0.1) 104 O (0.8)    0.0
                         (B)   49 CA  47 CA(0.1) 101 O (0.8)    0.0
                         (B)   50 CA  48 CA(0.1) 102 O (0.8)    0.0
                         (B)  101 O   49 CA(0.1) 109 O (0.9)    0.0
                         (B)  104 O   49 CA(0.1) 112 O (0.9)    0.0
                         (S)  109 O   49 CA(1.0)                0.0
                         (S)  112 O   49 CA(1.0)                0.0
                         (B)  122 O   49 CA(0.0)  47 CA(1.0)    0.0
                         (B)  123 O   49 CA(0.0)  46 CA(1.0)    0.0
                         (B)  102 O   50 CA(0.1) 110 O (0.9)    0.0
                         (B)  103 O   50 CA(0.1) 111 O (0.9)    0.0
                         (S)  110 O   50 CA(1.0)                0.0
                         (S)  111 O   50 CA(1.0)                0.0
                         (B)  121 O   50 CA(0.0)  48 CA(1.0)    0.0
                         (B)  124 O   50 CA(0.0)  45 CA(1.0)    0.0
                         (B)  105 O   51 CA(0.1) 113 O (0.9)    0.0
                         (B)  108 O   51 CA(0.1) 116 O (0.9)    0.0
                         (S)  113 O   51 CA(1.0)                0.0
                         (S)  116 O   51 CA(1.0)                0.0
                         (B)  118 O   51 CA(0.0)  43 CA(1.0)    0.0
                         (B)  119 O   51 CA(0.0)  42 CA(1.0)    0.0
                         (B)  106 O   52 CA(0.1) 114 O (0.9)    0.0
                         (B)  107 O   52 CA(0.1) 115 O (0.9)    0.0
                         (S)  114 O   52 CA(1.0)                0.0
                         (S)  115 O   52 CA(1.0)                0.0
                         (B)  117 O   52 CA(0.0)  44 CA(1.0)    0.0
                         (B)  120 O   52 CA(0.0)  41 CA(1.0)    0.0
   33    132.6921  (B1G)
                         (B)   41 CA  52 CA(0.2)  38 CA(0.8)    0.0
                         (B)   42 CA  51 CA(0.2)  37 CA(0.8)    0.0
                         (B)   43 CA  51 CA(0.2)  40 CA(0.8)    0.0
                         (B)   44 CA  52 CA(0.2)  39 CA(0.8)    0.0
                         (B)   45 CA  50 CA(0.2)  34 CA(0.8)    0.0
                         (B)   46 CA  49 CA(0.2)  33 CA(0.8)    0.0
                         (B)   47 CA  49 CA(0.2)  36 CA(0.8)    0.0
                         (B)   48 CA  50 CA(0.2)  35 CA(0.8)    0.0
   34    135.0680  (B2U)
                         (B)   29 CA  33 CA(0.0)  49 CA(1.0)    0.0
                         (B)   30 CA  34 CA(0.0)  50 CA(1.0)    0.0
                         (B)   30 CA  38 CA(0.0)  52 CA(1.0)    0.0
                         (B)   31 CA  39 CA(0.0)  52 CA(1.0)    0.0
                         (B)   32 CA  36 CA(0.0)  49 CA(1.0)    0.0
                         (B)   32 CA  40 CA(0.0)  51 CA(1.0)    0.0
                         (B)   41 CA  52 CA(0.2)  99 O (0.7)    0.0
                         (B)   42 CA  51 CA(0.2) 100 O (0.7)    0.0
                         (B)   43 CA  51 CA(0.2)  97 O (0.7)    0.0
                         (B)   44 CA  52 CA(0.2)  98 O (0.7)    0.0
                         (B)   45 CA  50 CA(0.2)  95 O (0.7)    0.0
                         (B)   46 CA  49 CA(0.2)  96 O (0.7)    0.0
                         (B)   47 CA  49 CA(0.2)  93 O (0.7)    0.0
                         (B)   48 CA  50 CA(0.2)  94 O (0.7)    0.0
   35    141.1728  (B3U)
                         (S)   21 CA  33 CA(0.6)  53 O (0.4)    0.0
                         (S)   33 CA  21 CA(0.5)  85 O (0.5)    0.0
                         (B)   21 CA  39 CA(0.0)  41 CA(0.9)    0.0
                         (S)   34 CA  22 CA(0.5)  86 O (0.5)    0.0
                         (S)   22 CA  34 CA(0.6)  54 O (0.4)    0.0
                         (B)   22 CA  40 CA(0.0)  42 CA(0.9)    0.0
                         (S)   35 CA  23 CA(0.5)  87 O (0.5)    0.0
                         (S)   23 CA  35 CA(0.6)  55 O (0.4)    0.0
                         (B)   23 CA  37 CA(0.0)  43 CA(0.9)    0.0
                         (S)   24 CA  36 CA(0.6)  56 O (0.4)    0.0
                         (S)   36 CA  24 CA(0.5)  88 O (0.5)    0.0
                         (B)   24 CA  38 CA(0.0)  44 CA(0.9)    0.0
                         (B)   25 CA  35 CA(0.0)  45 CA(0.9)    0.0
                         (S)   25 CA  37 CA(0.6)  57 O (0.4)    0.0
                         (S)   37 CA  25 CA(0.5)  89 O (0.5)    0.0
                         (B)   26 CA  36 CA(0.0)  46 CA(0.9)    0.0
                         (S)   38 CA  26 CA(0.5)  90 O (0.5)    0.0
                         (S)   26 CA  38 CA(0.6)  58 O (0.4)    0.0
                         (B)   27 CA  33 CA(0.0)  47 CA(0.9)    0.0
                         (S)   39 CA  27 CA(0.5)  91 O (0.5)    0.0
                         (S)   27 CA  39 CA(0.6)  59 O (0.4)    0.0
                         (B)   28 CA  34 CA(0.0)  48 CA(0.9)    0.0
                         (S)   28 CA  40 CA(0.6)  60 O (0.4)    0.0
                         (S)   40 CA  28 CA(0.5)  92 O (0.5)    0.0
                         (B)   29 CA  33 CA(0.0)  47 CA(0.9)    0.0
                         (B)   30 CA  34 CA(0.0)  48 CA(0.9)    0.0
                         (B)   30 CA  38 CA(0.0)  44 CA(0.9)    0.0
                         (B)   31 CA  39 CA(0.0)  41 CA(0.9)    0.0
                         (B)   32 CA  36 CA(0.0)  46 CA(0.9)    0.0
                         (B)   32 CA  40 CA(0.0)  42 CA(0.9)    0.0
                         (B)   49 CA  33 CA(0.1)  29 CA(0.9)    0.0
                         (B)   50 CA  34 CA(0.1)  30 CA(0.9)    0.0
                         (B)   35 CA  50 CA(0.1)  48 CA(0.9)    0.0
                         (B)   49 CA  36 CA(0.1)  32 CA(0.9)    0.0
                         (B)   37 CA  51 CA(0.1)  42 CA(0.9)    0.0
                         (B)   52 CA  38 CA(0.1)  30 CA(0.9)    0.0
                         (B)   52 CA  39 CA(0.1)  31 CA(0.9)    0.0
                         (B)   51 CA  40 CA(0.1)  32 CA(0.9)    0.0
   36    143.3904  (AU )
                         (B)   39 CA  21 CA(0.2)  67 O (0.8)    0.0
                         (B)   21 CA  85 O (0.1)   9 SI(0.8)    0.0
                         (B)   40 CA  22 CA(0.2)  68 O (0.8)    0.0
                         (B)   22 CA  86 O (0.1)  10 SI(0.8)    0.0
                         (B)   23 CA  37 CA(0.2)  65 O (0.8)    0.0
                         (B)   23 CA  87 O (0.1)  11 SI(0.8)    0.0
                         (B)   38 CA  24 CA(0.2)  66 O (0.8)    0.0
                         (B)   24 CA  88 O (0.1)  12 SI(0.8)    0.0
                         (B)   35 CA  25 CA(0.2)  63 O (0.8)    0.0
                         (B)   25 CA  89 O (0.1)  13 SI(0.8)    0.0
                         (B)   36 CA  26 CA(0.2)  64 O (0.8)    0.0
                         (B)   26 CA  90 O (0.1)  14 SI(0.8)    0.0
                         (B)   27 CA  33 CA(0.2)  61 O (0.8)    0.0
                         (B)   27 CA  91 O (0.1)  15 SI(0.8)    0.0
                         (B)   28 CA  34 CA(0.2)  62 O (0.8)    0.0
                         (B)   28 CA  92 O (0.1)  16 SI(0.8)    0.0
                         (B)   33 CA  29 CA(0.0)   1 SI(1.0)    0.0
                         (B)   34 CA  30 CA(0.0)   2 SI(1.0)    0.0
                         (B)   38 CA  30 CA(0.0)   2 SI(1.0)    0.0
                         (B)   39 CA  31 CA(0.0)   7 SI(1.0)    0.0
                         (B)   36 CA  32 CA(0.0)   4 SI(1.0)    0.0
                         (B)   40 CA  32 CA(0.0)   4 SI(1.0)    0.0
   37    143.8093  (AG )
                         (S)   33 CA  21 CA(0.5)  33 CA(0.5)    0.0
                         (B)   21 CA  33 CA(0.3)  41 CA(0.7)    0.0
                         (B)   22 CA  34 CA(0.3)  42 CA(0.7)    0.0
                         (S)   34 CA  22 CA(0.5)  34 CA(0.5)    0.0
                         (B)   23 CA  35 CA(0.3)  43 CA(0.7)    0.0
                         (S)   35 CA  23 CA(0.5)  35 CA(0.5)    0.0
                         (S)   36 CA  24 CA(0.5)  36 CA(0.5)    0.0
                         (B)   24 CA  36 CA(0.3)  44 CA(0.7)    0.0
                         (S)   37 CA  25 CA(0.5)  37 CA(0.5)    0.0
                         (B)   25 CA  37 CA(0.3)  45 CA(0.7)    0.0
                         (B)   26 CA  38 CA(0.3)  46 CA(0.7)    0.0
                         (S)   38 CA  26 CA(0.5)  38 CA(0.5)    0.0
                         (B)   27 CA  39 CA(0.3)  47 CA(0.7)    0.0
                         (S)   39 CA  27 CA(0.5)  39 CA(0.5)    0.0
                         (S)   40 CA  28 CA(0.5)  40 CA(0.5)    0.0
                         (B)   28 CA  40 CA(0.3)  48 CA(0.7)    0.0
   38    144.6059  (B2G)
                         (O)  123 O   41 CA(0.0)  61 O (0.7)    0.0
                         (O)  124 O   42 CA(0.0)  62 O (0.7)    0.0
                         (O)  121 O   43 CA(0.0)  63 O (0.7)    0.0
                         (O)  122 O   44 CA(0.0)  64 O (0.7)    0.0
                         (O)  119 O   45 CA(0.0)  65 O (0.7)    0.0
                         (O)  120 O   46 CA(0.0)  66 O (0.7)    0.0
                         (O)  117 O   47 CA(0.0)  67 O (0.7)    0.0
                         (O)  118 O   48 CA(0.0)  68 O (0.7)    0.0
   39    144.9305  (B1U)
                         (B)  101 O   49 CA(0.4) 109 O (0.5)    0.0
                         (B)  104 O   49 CA(0.4) 112 O (0.5)    0.0
                         (B)  102 O   50 CA(0.4) 110 O (0.5)    0.0
                         (B)  103 O   50 CA(0.4) 111 O (0.5)    0.0
                         (B)  105 O   51 CA(0.4) 113 O (0.5)    0.0
                         (B)  108 O   51 CA(0.4) 116 O (0.5)    0.0
                         (B)  106 O   52 CA(0.4) 114 O (0.5)    0.0
                         (B)  107 O   52 CA(0.4) 115 O (0.5)    0.0
   40    145.9415  (B2G)
                         (B)   49 CA  33 CA(0.0)   1 SI(0.9)    0.0
                         (B)   50 CA  34 CA(0.0)   2 SI(0.9)    0.0
                         (B)   50 CA  35 CA(0.0)   3 SI(0.9)    0.0
                         (B)   49 CA  36 CA(0.0)   4 SI(0.9)    0.0
                         (B)   51 CA  37 CA(0.0)   5 SI(0.9)    0.0
                         (B)   52 CA  38 CA(0.0)   6 SI(0.9)    0.0
                         (B)   52 CA  39 CA(0.0)   7 SI(0.9)    0.0
                         (B)   51 CA  40 CA(0.0)   8 SI(0.9)    0.0
                         (S)   49 CA 109 O (0.7)   9 SI(0.3)    0.0
                         (S)   49 CA 112 O (0.7)  12 SI(0.3)    0.0
                         (S)   50 CA 110 O (0.7)  10 SI(0.3)    0.0
                         (S)   50 CA 111 O (0.7)  11 SI(0.3)    0.0
                         (S)   51 CA 113 O (0.7)  13 SI(0.3)    0.0
                         (S)   51 CA 116 O (0.7)  16 SI(0.3)    0.0
                         (S)   52 CA 114 O (0.7)  14 SI(0.3)    0.0
                         (S)   52 CA 115 O (0.7)  15 SI(0.3)    0.0
   41    147.0217  (B3G)
                         (B)   33 CA  21 CA(0.2)  67 O (0.7)    0.0
                         (B)   33 CA  21 CA(0.3)  29 CA(0.7)    0.0
                         (B)   34 CA  22 CA(0.3)  30 CA(0.7)    0.0
                         (B)   34 CA  22 CA(0.2)  74 O (0.8)    0.0
                         (B)   23 CA  35 CA(0.3)  79 O (0.7)    0.0
                         (B)   35 CA  23 CA(0.2)  65 O (0.7)    0.0
                         (B)   36 CA  24 CA(0.2)  76 O (0.8)    0.0
                         (B)   36 CA  24 CA(0.3)  32 CA(0.7)    0.0
                         (B)   37 CA  25 CA(0.2)  63 O (0.7)    0.0
                         (B)   25 CA  37 CA(0.3)  81 O (0.7)    0.0
                         (B)   38 CA  26 CA(0.3)  30 CA(0.7)    0.0
                         (B)   38 CA  26 CA(0.2)  70 O (0.8)    0.0
                         (B)   39 CA  27 CA(0.3)  31 CA(0.7)    0.0
                         (B)   39 CA  27 CA(0.2)  61 O (0.7)    0.0
                         (B)   40 CA  28 CA(0.2)  72 O (0.8)    0.0
                         (B)   40 CA  28 CA(0.3)  32 CA(0.7)    0.0
                         (B)   47 CA  33 CA(0.0)  49 CA(1.0)    0.0
                         (B)   33 CA  49 CA(0.1)  46 CA(0.9)    0.0
                         (B)   48 CA  34 CA(0.0)  50 CA(1.0)    0.0
                         (B)   34 CA  50 CA(0.1)  45 CA(0.9)    0.0
                         (B)   35 CA  45 CA(0.0)  50 CA(1.0)    0.0
                         (B)   35 CA  50 CA(0.1)  48 CA(0.9)    0.0
                         (B)   46 CA  36 CA(0.0)  49 CA(1.0)    0.0
                         (B)   36 CA  49 CA(0.1)  47 CA(0.9)    0.0
                         (B)   43 CA  37 CA(0.0)  51 CA(1.0)    0.0
                         (B)   37 CA  51 CA(0.1)  42 CA(0.9)    0.0
                         (B)   44 CA  38 CA(0.0)  52 CA(1.0)    0.0
                         (B)   38 CA  52 CA(0.1)  41 CA(0.9)    0.0
                         (B)   41 CA  39 CA(0.0)  52 CA(1.0)    0.0
                         (B)   39 CA  52 CA(0.1)  44 CA(0.9)    0.0
                         (B)   42 CA  40 CA(0.0)  51 CA(1.0)    0.0
                         (B)   40 CA  51 CA(0.1)  43 CA(0.9)    0.0
                         (B)   41 CA  52 CA(0.0)  17 SI(1.0)    0.0
                         (B)   42 CA  51 CA(0.0)  18 SI(1.0)    0.0
                         (B)   43 CA  51 CA(0.0)  42 CA(1.0)    0.0
                         (B)   44 CA  52 CA(0.0)  41 CA(1.0)    0.0
                         (B)   45 CA  50 CA(0.0)  19 SI(1.0)    0.0
                         (B)   46 CA  49 CA(0.0)  47 CA(1.0)    0.0
                         (B)   47 CA  49 CA(0.0)  20 SI(1.0)    0.0
                         (B)   48 CA  50 CA(0.0)  45 CA(1.0)    0.0
   42    148.7895  (B2U)
                         (B)   52 CA  17 SI(0.0) 120 O (1.0)    0.0
                         (B)   51 CA  18 SI(0.0) 118 O (1.0)    0.0
                         (B)   50 CA  19 SI(0.0) 124 O (1.0)    0.0
                         (B)   20 SI  49 CA(0.0) 123 O (1.0)    0.0
                         (B)   33 CA  49 CA(0.2)  93 O (0.8)    0.0
                         (B)   34 CA  50 CA(0.2)  94 O (0.8)    0.0
                         (B)   50 CA  35 CA(0.2)  95 O (0.8)    0.0
                         (B)   49 CA  36 CA(0.2)  96 O (0.8)    0.0
                         (B)   37 CA  51 CA(0.2)  97 O (0.8)    0.0
                         (B)   52 CA  38 CA(0.2)  98 O (0.8)    0.0
                         (B)   52 CA  39 CA(0.2)  99 O (0.8)    0.0
                         (B)   51 CA  40 CA(0.2) 100 O (0.8)    0.0
                         (B)   41 CA  52 CA(0.0) 115 O (0.9)    0.0
                         (B)   51 CA  42 CA(0.0) 116 O (0.9)    0.0
                         (B)   43 CA  51 CA(0.0) 113 O (0.9)    0.0
                         (B)   52 CA  44 CA(0.0) 114 O (0.9)    0.0
                         (B)   50 CA  45 CA(0.0) 111 O (0.9)    0.0
                         (B)   49 CA  46 CA(0.0) 112 O (0.9)    0.0
                         (B)   47 CA  49 CA(0.0) 109 O (0.9)    0.0
                         (B)   48 CA  50 CA(0.0) 110 O (0.9)    0.0
                         (S)  109 O   49 CA(0.8) 101 O (0.2)    0.0
                         (S)  112 O   49 CA(0.8) 104 O (0.2)    0.0
                         (S)  110 O   50 CA(0.8) 102 O (0.2)    0.0
                         (S)  111 O   50 CA(0.8) 103 O (0.2)    0.0
                         (S)  113 O   51 CA(0.8) 105 O (0.2)    0.0
                         (S)  116 O   51 CA(0.8) 108 O (0.2)    0.0
                         (S)  114 O   52 CA(0.8) 106 O (0.2)    0.0
                         (S)  115 O   52 CA(0.8) 107 O (0.2)    0.0
   43    149.3784  (B1G)
                         (B)   52 CA  17 SI(0.0) 120 O (0.9)    0.0
                         (B)   18 SI  51 CA(0.0) 118 O (0.9)    0.0
                         (B)   50 CA  19 SI(0.0) 124 O (0.9)    0.0
                         (B)   20 SI  49 CA(0.0) 123 O (0.9)    0.0
                         (B)   33 CA  49 CA(0.3)  93 O (0.7)    0.0
                         (B)   34 CA  50 CA(0.3)  94 O (0.7)    0.0
                         (B)   50 CA  35 CA(0.3)  95 O (0.7)    0.0
                         (B)   36 CA  49 CA(0.3)  96 O (0.7)    0.0
                         (B)   37 CA  51 CA(0.3)  97 O (0.7)    0.0
                         (B)   52 CA  38 CA(0.3)  98 O (0.7)    0.0
                         (B)   52 CA  39 CA(0.3)  99 O (0.7)    0.0
                         (B)   51 CA  40 CA(0.3) 100 O (0.7)    0.0
                         (B)   93 O   49 CA(0.0)  33 CA(1.0)    0.0
                         (B)   96 O   49 CA(0.0)  36 CA(1.0)    0.0
                         (S)  109 O   49 CA(0.8) 101 O (0.2)    0.0
                         (S)  112 O   49 CA(0.8) 104 O (0.2)    0.0
                         (B)   94 O   50 CA(0.0)  34 CA(1.0)    0.0
                         (B)   50 CA  95 O (0.0)  35 CA(1.0)    0.0
                         (S)  110 O   50 CA(0.8) 102 O (0.2)    0.0
                         (S)  111 O   50 CA(0.8) 103 O (0.2)    0.0
                         (B)   97 O   51 CA(0.0)  37 CA(1.0)    0.0
                         (B)   51 CA 100 O (0.0)  40 CA(1.0)    0.0
                         (S)  113 O   51 CA(0.8) 105 O (0.2)    0.0
                         (S)  116 O   51 CA(0.8) 108 O (0.2)    0.0
                         (B)   98 O   52 CA(0.0)  38 CA(1.0)    0.0
                         (B)   99 O   52 CA(0.0)  39 CA(1.0)    0.0
                         (S)  114 O   52 CA(0.8) 106 O (0.2)    0.0
                         (S)  115 O   52 CA(0.8) 107 O (0.2)    0.0
   44    149.7087  (AG )
                         (B)   39 CA  21 CA(0.0)  29 CA(1.0)    0.0
                         (B)   40 CA  22 CA(0.0)  30 CA(1.0)    0.0
                         (B)   23 CA  37 CA(0.0)  13 SI(0.9)    0.0
                         (B)   38 CA  24 CA(0.0)  32 CA(1.0)    0.0
                         (B)   25 CA  35 CA(0.0)  11 SI(0.9)    0.0
                         (B)   36 CA  26 CA(0.0)  30 CA(1.0)    0.0
                         (B)   33 CA  27 CA(0.0)  31 CA(1.0)    0.0
                         (B)   34 CA  28 CA(0.0)  32 CA(1.0)    0.0
   45    152.3507  (B1U)
                         (S)   49 CA  33 CA(0.9)                0.0
                         (S)   50 CA  34 CA(0.9)                0.0
                         (S)   50 CA  35 CA(0.9)                0.0
                         (S)   49 CA  36 CA(0.9)                0.0
                         (S)   51 CA  37 CA(0.9)                0.0
                         (S)   52 CA  38 CA(0.9)                0.0
                         (S)   52 CA  39 CA(0.9)                0.0
                         (S)   51 CA  40 CA(0.9)                0.0
                         (B)   52 CA  41 CA(0.0)  93 O (1.0)    0.0
                         (B)   51 CA  42 CA(0.0)  94 O (1.0)    0.0
                         (B)   51 CA  43 CA(0.0)  95 O (1.0)    0.0
                         (B)   52 CA  44 CA(0.0)  96 O (1.0)    0.0
                         (B)   50 CA  45 CA(0.0)  97 O (1.0)    0.0
                         (B)   49 CA  46 CA(0.0)  98 O (1.0)    0.0
                         (B)   49 CA  47 CA(0.0)  99 O (1.0)    0.0
                         (B)   50 CA  48 CA(0.0) 100 O (1.0)    0.0
   46    153.3955  (AG )
                         (B)   74 O   22 CA(0.3)  40 CA(0.6)    0.0
                         (B)   76 O   24 CA(0.3)  38 CA(0.6)    0.0
                         (B)   70 O   26 CA(0.3)  36 CA(0.6)    0.0
                         (B)   72 O   28 CA(0.3)  34 CA(0.6)    0.0
                         (S)   41 CA  33 CA(0.9)                0.0
                         (B)   33 CA  41 CA(0.0)  15 SI(1.0)    0.0
                         (B)   49 CA  33 CA(0.1)  85 O (0.9)    0.0
                         (S)   42 CA  34 CA(0.9)                0.0
                         (B)   34 CA  42 CA(0.0)  16 SI(1.0)    0.0
                         (B)   50 CA  34 CA(0.1)  86 O (0.9)    0.0
                         (S)   43 CA  35 CA(0.9)                0.0
                         (B)   35 CA  43 CA(0.0)  13 SI(1.0)    0.0
                         (B)   50 CA  35 CA(0.1)  87 O (0.9)    0.0
                         (S)   44 CA  36 CA(0.9)                0.0
                         (B)   36 CA  44 CA(0.0)  14 SI(1.0)    0.0
                         (B)   49 CA  36 CA(0.1)  88 O (0.9)    0.0
                         (S)   45 CA  37 CA(0.9)                0.0
                         (B)   37 CA  45 CA(0.0)  11 SI(1.0)    0.0
                         (B)   51 CA  37 CA(0.1)  89 O (0.9)    0.0
                         (S)   46 CA  38 CA(0.9)                0.0
                         (B)   38 CA  46 CA(0.0)  12 SI(1.0)    0.0
                         (B)   52 CA  38 CA(0.1)  90 O (0.9)    0.0
                         (S)   47 CA  39 CA(0.9)                0.0
                         (B)   39 CA  47 CA(0.0)   9 SI(1.0)    0.0
                         (B)   52 CA  39 CA(0.1)  91 O (0.9)    0.0
                         (S)   48 CA  40 CA(0.9)                0.0
                         (B)   40 CA  48 CA(0.0)  10 SI(1.0)    0.0
                         (B)   51 CA  40 CA(0.1)  92 O (0.9)    0.0
                         (B)   61 O   41 CA(0.1)  39 CA(0.9)    0.0
                         (B)   62 O   42 CA(0.1)  40 CA(0.9)    0.0
                         (B)   63 O   43 CA(0.1)  37 CA(0.9)    0.0
                         (B)   64 O   44 CA(0.1)  38 CA(0.9)    0.0
                         (B)   65 O   45 CA(0.1)  35 CA(0.9)    0.0
                         (B)   66 O   46 CA(0.1)  36 CA(0.9)    0.0
                         (B)   67 O   47 CA(0.1)  33 CA(0.9)    0.0
                         (B)   68 O   48 CA(0.1)  34 CA(0.9)    0.0
   47    153.5506  (AU )
                         (B)   21 CA  31 CA(0.1)  39 CA(0.9)    0.0
                         (S)   39 CA  21 CA(0.7)  75 O (0.3)    0.0
                         (B)   22 CA  32 CA(0.1)  36 CA(0.9)    0.0
                         (S)   40 CA  22 CA(0.7)  76 O (0.3)    0.0
                         (S)   37 CA  23 CA(0.7)  73 O (0.3)    0.0
                         (B)   24 CA  30 CA(0.1)  34 CA(0.9)    0.0
                         (S)   38 CA  24 CA(0.7)  74 O (0.3)    0.0
                         (S)   35 CA  25 CA(0.7)  71 O (0.3)    0.0
                         (B)   26 CA  32 CA(0.1)  36 CA(0.9)    0.0
                         (S)   36 CA  26 CA(0.7)  72 O (0.3)    0.0
                         (B)   27 CA  29 CA(0.1)  33 CA(0.9)    0.0
                         (S)   33 CA  27 CA(0.7)  69 O (0.3)    0.0
                         (B)   28 CA  30 CA(0.1)  34 CA(0.9)    0.0
                         (S)   34 CA  28 CA(0.7)  70 O (0.3)    0.0
                         (B)   93 O   33 CA(0.1) 109 O (0.9)    0.0
                         (B)   94 O   34 CA(0.1) 110 O (0.9)    0.0
                         (B)   95 O   35 CA(0.1) 111 O (0.9)    0.0
                         (B)   96 O   36 CA(0.1) 112 O (0.9)    0.0
                         (B)   97 O   37 CA(0.1) 113 O (0.9)    0.0
                         (B)   98 O   38 CA(0.1) 114 O (0.9)    0.0
                         (B)   99 O   39 CA(0.1) 115 O (0.9)    0.0
                         (B)  100 O   40 CA(0.1) 116 O (0.9)    0.0
   48    158.8416  (B3U)
                         (B)   21 CA  39 CA(0.0)  15 SI(1.0)    0.0
                         (B)   22 CA  40 CA(0.0)  16 SI(1.0)    0.0
                         (B)   23 CA  37 CA(0.0)  13 SI(1.0)    0.0
                         (B)   24 CA  38 CA(0.0)  14 SI(1.0)    0.0
                         (B)   25 CA  35 CA(0.0)  11 SI(1.0)    0.0
                         (B)   26 CA  36 CA(0.0)  12 SI(1.0)    0.0
                         (B)   27 CA  33 CA(0.0)   9 SI(1.0)    0.0
                         (B)   28 CA  34 CA(0.0)  10 SI(1.0)    0.0
                         (B)   93 O   41 CA(0.1)  33 CA(0.9)    0.0
                         (B)   94 O   42 CA(0.1)  34 CA(0.9)    0.0
                         (B)   95 O   43 CA(0.1)  35 CA(0.9)    0.0
                         (B)   96 O   44 CA(0.1)  36 CA(0.9)    0.0
                         (B)   97 O   45 CA(0.1)  37 CA(0.9)    0.0
                         (B)   98 O   46 CA(0.1)  38 CA(0.9)    0.0
                         (B)   99 O   47 CA(0.1)  39 CA(0.9)    0.0
                         (B)  100 O   48 CA(0.1)  40 CA(0.9)    0.0
   49    159.3537  (B2U)
                         (B)   21 CA  31 CA(0.1)  39 CA(0.9)    0.0
                         (B)   22 CA  32 CA(0.1)  36 CA(0.9)    0.0
                         (B)   24 CA  30 CA(0.1)  34 CA(0.9)    0.0
                         (B)   26 CA  32 CA(0.1)  36 CA(0.9)    0.0
                         (B)   27 CA  29 CA(0.1)  33 CA(0.9)    0.0
                         (B)   28 CA  30 CA(0.1)  34 CA(0.9)    0.0
                         (B)   93 O   49 CA(0.5)  33 CA(0.5)    0.0
                         (B)   96 O   49 CA(0.5)  36 CA(0.5)    0.0
                         (B)   94 O   50 CA(0.5)  34 CA(0.5)    0.0
                         (B)   50 CA  95 O (0.5)  35 CA(0.5)    0.0
                         (B)   97 O   51 CA(0.5)  37 CA(0.5)    0.0
                         (B)   51 CA 100 O (0.5)  40 CA(0.5)    0.0
                         (B)   98 O   52 CA(0.5)  38 CA(0.5)    0.0
                         (B)   99 O   52 CA(0.5)  39 CA(0.5)    0.0
   50    161.7545  (B3G)
                         (B)   22 CA  74 O (0.0)   6 SI(1.0)    0.0
                         (B)   24 CA  76 O (0.0)   8 SI(1.0)    0.0
                         (B)   26 CA  70 O (0.0)   2 SI(1.0)    0.0
                         (B)   28 CA  72 O (0.0)   4 SI(1.0)    0.0
                         (B)   41 CA  33 CA(0.0) 109 O (1.0)    0.0
                         (B)   41 CA  33 CA(0.2)  49 CA(0.8)    0.0
                         (B)   93 O   33 CA(0.0) 109 O (1.0)    0.0
                         (B)   42 CA  34 CA(0.0) 110 O (1.0)    0.0
                         (B)   42 CA  34 CA(0.2)  50 CA(0.8)    0.0
                         (B)   94 O   34 CA(0.0) 110 O (1.0)    0.0
                         (B)   43 CA  35 CA(0.0) 111 O (1.0)    0.0
                         (B)   43 CA  35 CA(0.2)  50 CA(0.8)    0.0
                         (B)   95 O   35 CA(0.0) 111 O (1.0)    0.0
                         (B)   44 CA  36 CA(0.0) 112 O (1.0)    0.0
                         (B)   44 CA  36 CA(0.2)  49 CA(0.8)    0.0
                         (B)   96 O   36 CA(0.0) 112 O (1.0)    0.0
                         (B)   45 CA  37 CA(0.0) 113 O (1.0)    0.0
                         (B)   45 CA  37 CA(0.2)  51 CA(0.8)    0.0
                         (B)   97 O   37 CA(0.0) 113 O (1.0)    0.0
                         (B)   46 CA  38 CA(0.0) 114 O (1.0)    0.0
                         (B)   46 CA  38 CA(0.2)  52 CA(0.8)    0.0
                         (B)   98 O   38 CA(0.0) 114 O (1.0)    0.0
                         (B)   47 CA  39 CA(0.0) 115 O (1.0)    0.0
                         (B)   47 CA  39 CA(0.2)  52 CA(0.8)    0.0
                         (B)   99 O   39 CA(0.0) 115 O (1.0)    0.0
                         (B)   48 CA  40 CA(0.0) 116 O (1.0)    0.0
                         (B)   48 CA  40 CA(0.2)  51 CA(0.8)    0.0
                         (B)  100 O   40 CA(0.0) 116 O (1.0)    0.0
   51    161.7557  (B1G)
                         (S)   33 CA  21 CA(0.6)  29 CA(0.4)    0.0
                         (B)   33 CA  21 CA(0.1)  85 O (0.9)    0.0
                         (B)   34 CA  22 CA(0.1)  86 O (0.9)    0.0
                         (S)   34 CA  22 CA(0.6)  30 CA(0.4)    0.0
                         (B)   22 CA  74 O (0.0)   6 SI(1.0)    0.0
                         (B)   35 CA  23 CA(0.1)  87 O (0.9)    0.0
                         (S)   35 CA  23 CA(0.6)  81 O (0.4)    0.0
                         (S)   36 CA  24 CA(0.6)  32 CA(0.4)    0.0
                         (B)   36 CA  24 CA(0.1)  88 O (0.9)    0.0
                         (B)   24 CA  76 O (0.0)   8 SI(1.0)    0.0
                         (S)   37 CA  25 CA(0.6)  79 O (0.4)    0.0
                         (B)   37 CA  25 CA(0.1)  89 O (0.9)    0.0
                         (B)   38 CA  26 CA(0.1)  90 O (0.9)    0.0
                         (S)   38 CA  26 CA(0.6)  30 CA(0.4)    0.0
                         (B)   26 CA  70 O (0.0)   2 SI(1.0)    0.0
                         (B)   39 CA  27 CA(0.1)  91 O (0.9)    0.0
                         (S)   39 CA  27 CA(0.6)  31 CA(0.4)    0.0
                         (S)   40 CA  28 CA(0.6)  32 CA(0.4)    0.0
                         (B)   40 CA  28 CA(0.1)  92 O (0.9)    0.0
                         (B)   28 CA  72 O (0.0)   4 SI(1.0)    0.0
                         (S)   93 O   49 CA(0.7) 109 O (0.3)    0.0
                         (S)   96 O   49 CA(0.7) 112 O (0.3)    0.0
                         (S)  109 O   49 CA(0.8)  96 O (0.2)    0.0
                         (S)  112 O   49 CA(0.8)  93 O (0.2)    0.0
                         (S)   94 O   50 CA(0.7) 110 O (0.3)    0.0
                         (S)   95 O   50 CA(0.7) 111 O (0.3)    0.0
                         (S)  110 O   50 CA(0.8)  95 O (0.2)    0.0
                         (S)  111 O   50 CA(0.8)  94 O (0.2)    0.0
                         (S)   97 O   51 CA(0.7) 113 O (0.3)    0.0
                         (S)  100 O   51 CA(0.7) 116 O (0.3)    0.0
                         (S)  113 O   51 CA(0.8) 100 O (0.2)    0.0
                         (S)  116 O   51 CA(0.8)  97 O (0.2)    0.0
                         (S)   98 O   52 CA(0.7) 114 O (0.3)    0.0
                         (S)   99 O   52 CA(0.7) 115 O (0.3)    0.0
                         (S)  114 O   52 CA(0.8)  99 O (0.2)    0.0
                         (S)  115 O   52 CA(0.8)  98 O (0.2)    0.0
   52    165.9629  (B2G)
                         (B)   41 CA  52 CA(0.2)  17 SI(0.8)    0.0
                         (B)   42 CA  51 CA(0.2)  18 SI(0.8)    0.0
                         (B)   43 CA  51 CA(0.2)  18 SI(0.8)    0.0
                         (B)   44 CA  52 CA(0.2)  41 CA(0.8)    0.0
                         (B)   45 CA  50 CA(0.2)  19 SI(0.8)    0.0
                         (B)   46 CA  49 CA(0.2)  47 CA(0.8)    0.0
                         (B)   47 CA  49 CA(0.2)  20 SI(0.8)    0.0
                         (B)   48 CA  50 CA(0.2)  19 SI(0.8)    0.0
   53    169.1201  (AG )
                         (O)  117 O   17 SI(0.0) 104 O (0.7)    0.0
                         (O)  120 O   17 SI(0.0) 101 O (0.7)    0.0
                         (O)  118 O   18 SI(0.0) 103 O (0.7)    0.0
                         (O)  119 O   18 SI(0.0) 102 O (0.7)    0.0
                         (O)  121 O   19 SI(0.0) 108 O (0.7)    0.0
                         (O)  124 O   19 SI(0.0) 105 O (0.7)    0.0
                         (O)  122 O   20 SI(0.0) 107 O (0.7)    0.0
                         (O)  123 O   20 SI(0.0) 106 O (0.7)    0.0
                         (S)   33 CA  41 CA(0.6) 107 O (0.4)    0.0
                         (B)   33 CA  41 CA(0.0)  61 O (1.0)    0.0
                         (B)   33 CA  47 CA(0.0)  67 O (1.0)    0.0
                         (S)   34 CA  42 CA(0.6) 108 O (0.4)    0.0
                         (B)   34 CA  42 CA(0.0)  62 O (1.0)    0.0
                         (B)   34 CA  48 CA(0.0)  68 O (1.0)    0.0
                         (S)   35 CA  43 CA(0.6) 105 O (0.4)    0.0
                         (B)   35 CA  43 CA(0.0)  63 O (1.0)    0.0
                         (B)   35 CA  45 CA(0.0)  65 O (1.0)    0.0
                         (S)   36 CA  44 CA(0.6) 106 O (0.4)    0.0
                         (B)   36 CA  44 CA(0.0)  64 O (1.0)    0.0
                         (B)   36 CA  46 CA(0.0)  66 O (1.0)    0.0
                         (B)   37 CA  43 CA(0.0)  63 O (1.0)    0.0
                         (S)   37 CA  45 CA(0.6) 103 O (0.4)    0.0
                         (B)   37 CA  45 CA(0.0)  65 O (1.0)    0.0
                         (B)   38 CA  44 CA(0.0)  64 O (1.0)    0.0
                         (S)   38 CA  46 CA(0.6) 104 O (0.4)    0.0
                         (B)   38 CA  46 CA(0.0)  66 O (1.0)    0.0
                         (B)   39 CA  41 CA(0.0)  61 O (1.0)    0.0
                         (S)   39 CA  47 CA(0.6) 101 O (0.4)    0.0
                         (B)   39 CA  47 CA(0.0)  67 O (1.0)    0.0
                         (B)   40 CA  42 CA(0.0)  62 O (1.0)    0.0
                         (S)   40 CA  48 CA(0.6) 102 O (0.4)    0.0
                         (B)   40 CA  48 CA(0.0)  68 O (1.0)    0.0
                         (O)   41 CA  91 O (0.2)  39 CA(0.5)    0.0
                         (O)   92 O   42 CA(0.2)  40 CA(0.5)    0.0
                         (O)   89 O   43 CA(0.2)  37 CA(0.5)    0.0
                         (O)   90 O   44 CA(0.2)  38 CA(0.5)    0.0
                         (O)   87 O   45 CA(0.2)  35 CA(0.5)    0.0
                         (O)   46 CA  88 O (0.2)  36 CA(0.5)    0.0
                         (O)   85 O   47 CA(0.2)  33 CA(0.5)    0.0
                         (O)   86 O   48 CA(0.2)  34 CA(0.5)    0.0
                         (B)  122 O   49 CA(0.0)  96 O (1.0)    0.0
                         (B)  123 O   49 CA(0.0)  93 O (1.0)    0.0
                         (B)  121 O   50 CA(0.0)  95 O (1.0)    0.0
                         (B)  124 O   50 CA(0.0)  94 O (1.0)    0.0
                         (B)  118 O   51 CA(0.0) 100 O (1.0)    0.0
                         (B)  119 O   51 CA(0.0)  97 O (1.0)    0.0
                         (B)  117 O   52 CA(0.0)  99 O (1.0)    0.0
                         (B)  120 O   52 CA(0.0)  98 O (1.0)    0.0
   54    173.1687  (B2U)
                         (S)   93 O   49 CA(1.0)                0.0
                         (S)   96 O   49 CA(1.0)                0.0
                         (S)   94 O   50 CA(1.0)                0.0
                         (S)   95 O   50 CA(1.0)                0.0
                         (S)   97 O   51 CA(1.0)                0.0
                         (S)  100 O   51 CA(1.0)                0.0
                         (S)   98 O   52 CA(1.0)                0.0
                         (S)   99 O   52 CA(1.0)                0.0
   55    175.3671  (B1U)
                         (S)   93 O   49 CA(0.9)                0.0
                         (S)   96 O   49 CA(0.9)                0.0
                         (S)   94 O   50 CA(0.9)                0.0
                         (S)   95 O   50 CA(0.9)                0.0
                         (S)   97 O   51 CA(0.9)                0.0
                         (S)  100 O   51 CA(0.9)                0.0
                         (S)   98 O   52 CA(0.9)                0.0
                         (S)   99 O   52 CA(0.9)                0.0
   56    175.9356  (B2G)
                         (B)   39 CA  21 CA(0.0)  29 CA(1.0)    0.0
                         (B)   40 CA  22 CA(0.0)  30 CA(1.0)    0.0
                         (B)   23 CA  37 CA(0.0)  65 O (1.0)    0.0
                         (B)   38 CA  24 CA(0.0)  32 CA(1.0)    0.0
                         (B)   35 CA  25 CA(0.0)  63 O (1.0)    0.0
                         (B)   36 CA  26 CA(0.0)  30 CA(1.0)    0.0
                         (B)   33 CA  27 CA(0.0)  31 CA(1.0)    0.0
                         (B)   34 CA  28 CA(0.0)  32 CA(1.0)    0.0
   57    175.9561  (B1G)
                         (S)   93 O   49 CA(1.0)                0.0
                         (S)   96 O   49 CA(1.0)                0.0
                         (S)   94 O   50 CA(1.0)                0.0
                         (S)   95 O   50 CA(1.0)                0.0
                         (S)   97 O   51 CA(1.0)                0.0
                         (S)  100 O   51 CA(1.0)                0.0
                         (S)   98 O   52 CA(1.0)                0.0
                         (S)   99 O   52 CA(1.0)                0.0
   58    177.3746  (B3G)
                         (B)   33 CA  21 CA(0.2)  53 O (0.8)    0.0
                         (B)   21 CA  33 CA(0.5)  41 CA(0.5)    0.0
                         (B)   21 CA  39 CA(0.0)  91 O (1.0)    0.0
                         (B)   85 O   21 CA(0.1)  33 CA(0.9)    0.0
                         (B)   22 CA  34 CA(0.5)  42 CA(0.5)    0.0
                         (B)   34 CA  22 CA(0.2)  54 O (0.8)    0.0
                         (B)   22 CA  40 CA(0.0)  92 O (1.0)    0.0
                         (B)   86 O   22 CA(0.1)  34 CA(0.9)    0.0
                         (B)   23 CA  35 CA(0.5)  43 CA(0.5)    0.0
                         (B)   35 CA  23 CA(0.2)  55 O (0.8)    0.0
                         (B)   23 CA  37 CA(0.0)  89 O (1.0)    0.0
                         (B)   87 O   23 CA(0.1)  35 CA(0.9)    0.0
                         (B)   36 CA  24 CA(0.2)  56 O (0.8)    0.0
                         (B)   24 CA  36 CA(0.5)  44 CA(0.5)    0.0
                         (B)   24 CA  38 CA(0.0)  90 O (1.0)    0.0
                         (B)   88 O   24 CA(0.1)  36 CA(0.9)    0.0
                         (B)   25 CA  35 CA(0.0)  87 O (1.0)    0.0
                         (B)   37 CA  25 CA(0.2)  57 O (0.8)    0.0
                         (B)   25 CA  37 CA(0.5)  45 CA(0.5)    0.0
                         (B)   89 O   25 CA(0.1)  37 CA(0.9)    0.0
                         (B)   26 CA  36 CA(0.0)  88 O (1.0)    0.0
                         (B)   26 CA  38 CA(0.5)  46 CA(0.5)    0.0
                         (B)   38 CA  26 CA(0.2)  58 O (0.8)    0.0
                         (B)   90 O   26 CA(0.1)  38 CA(0.9)    0.0
                         (B)   27 CA  33 CA(0.0)  85 O (1.0)    0.0
                         (B)   27 CA  39 CA(0.5)  47 CA(0.5)    0.0
                         (B)   39 CA  27 CA(0.2)  59 O (0.8)    0.0
                         (B)   91 O   27 CA(0.1)  39 CA(0.9)    0.0
                         (B)   28 CA  34 CA(0.0)  86 O (1.0)    0.0
                         (B)   40 CA  28 CA(0.2)  60 O (0.8)    0.0
                         (B)   28 CA  40 CA(0.5)  48 CA(0.5)    0.0
                         (B)   92 O   28 CA(0.1)  40 CA(0.9)    0.0
   59    177.8916  (B2U)
                         (B)   41 CA  52 CA(0.1) 106 O (0.9)    0.0
                         (B)   42 CA  51 CA(0.1) 105 O (0.9)    0.0
                         (B)   43 CA  51 CA(0.1) 108 O (0.9)    0.0
                         (B)   44 CA  52 CA(0.1) 107 O (0.9)    0.0
                         (B)   45 CA  50 CA(0.1) 102 O (0.9)    0.0
                         (B)   46 CA  49 CA(0.1) 101 O (0.9)    0.0
                         (B)   47 CA  49 CA(0.1) 104 O (0.9)    0.0
                         (B)   48 CA  50 CA(0.1) 103 O (0.9)    0.0
                         (S)   93 O   49 CA(0.9)                0.0
                         (S)   96 O   49 CA(0.9)                0.0
                         (B)  122 O   49 CA(0.0)  47 CA(1.0)    0.0
                         (B)  123 O   49 CA(0.0)  46 CA(1.0)    0.0
                         (S)   94 O   50 CA(0.9)                0.0
                         (S)   95 O   50 CA(0.9)                0.0
                         (B)  121 O   50 CA(0.0)  48 CA(1.0)    0.0
                         (B)  124 O   50 CA(0.0)  45 CA(1.0)    0.0
                         (S)   97 O   51 CA(0.9)                0.0
                         (S)  100 O   51 CA(0.9)                0.0
                         (B)  118 O   51 CA(0.0)  43 CA(1.0)    0.0
                         (B)  119 O   51 CA(0.0)  42 CA(1.0)    0.0
                         (S)   98 O   52 CA(0.9)                0.0
                         (S)   99 O   52 CA(0.9)                0.0
                         (B)  117 O   52 CA(0.0)  44 CA(1.0)    0.0
                         (B)  120 O   52 CA(0.0)  41 CA(1.0)    0.0
   60    179.1884  (AU )
                         (B)   41 CA  33 CA(0.2)  27 CA(0.8)    0.0
                         (B)   41 CA  33 CA(0.1)  77 O (0.9)    0.0
                         (B)   42 CA  34 CA(0.2)  28 CA(0.8)    0.0
                         (B)   42 CA  34 CA(0.1)  78 O (0.9)    0.0
                         (B)   43 CA  35 CA(0.2)  25 CA(0.8)    0.0
                         (B)   43 CA  35 CA(0.1)  79 O (0.9)    0.0
                         (B)   44 CA  36 CA(0.2)  26 CA(0.8)    0.0
                         (B)   44 CA  36 CA(0.1)  80 O (0.9)    0.0
                         (B)   45 CA  37 CA(0.2)  23 CA(0.8)    0.0
                         (B)   45 CA  37 CA(0.1)  81 O (0.9)    0.0
                         (B)   46 CA  38 CA(0.2)  24 CA(0.8)    0.0
                         (B)   46 CA  38 CA(0.1)  82 O (0.9)    0.0
                         (B)   47 CA  39 CA(0.2)  21 CA(0.8)    0.0
                         (B)   47 CA  39 CA(0.1)  83 O (0.9)    0.0
                         (B)   48 CA  40 CA(0.2)  22 CA(0.8)    0.0
                         (B)   48 CA  40 CA(0.1)  84 O (0.9)    0.0
   61    180.0111  (B2G)
                         (B)   33 CA   9 SI(0.0)  85 O (1.0)    0.0
                         (B)   34 CA  10 SI(0.0)  86 O (1.0)    0.0
                         (B)   35 CA  11 SI(0.0)  87 O (1.0)    0.0
                         (B)   36 CA  12 SI(0.0)  88 O (1.0)    0.0
                         (B)   37 CA  13 SI(0.0)  89 O (1.0)    0.0
                         (B)   38 CA  14 SI(0.0)  90 O (1.0)    0.0
                         (B)   39 CA  15 SI(0.0)  91 O (1.0)    0.0
                         (B)   40 CA  16 SI(0.0)  92 O (1.0)    0.0
                         (B)   85 O   33 CA(0.2)   1 SI(0.8)    0.0
                         (B)   86 O   34 CA(0.2)   2 SI(0.8)    0.0
                         (B)   87 O   35 CA(0.2)   3 SI(0.8)    0.0
                         (B)   88 O   36 CA(0.2)   4 SI(0.8)    0.0
                         (B)   89 O   37 CA(0.2)   5 SI(0.8)    0.0
                         (B)   90 O   38 CA(0.2)   6 SI(0.8)    0.0
                         (B)   91 O   39 CA(0.2)   7 SI(0.8)    0.0
                         (B)   92 O   40 CA(0.2)   8 SI(0.8)    0.0
   62    180.3893  (B3G)
                         (B)   41 CA  33 CA(0.0)  47 CA(1.0)    0.0
                         (B)   41 CA  33 CA(0.2)  49 CA(0.8)    0.0
                         (B)   93 O   33 CA(0.0)  29 CA(0.9)    0.0
                         (B)   42 CA  34 CA(0.0)  48 CA(1.0)    0.0
                         (B)   42 CA  34 CA(0.2)  50 CA(0.8)    0.0
                         (B)   94 O   34 CA(0.0)  30 CA(0.9)    0.0
                         (B)   43 CA  35 CA(0.0)  45 CA(1.0)    0.0
                         (B)   43 CA  35 CA(0.2)  50 CA(0.8)    0.0
                         (B)   35 CA  95 O (0.0)  50 CA(0.9)    0.0
                         (B)   44 CA  36 CA(0.0)  46 CA(1.0)    0.0
                         (B)   44 CA  36 CA(0.2)  49 CA(0.8)    0.0
                         (B)   96 O   36 CA(0.0)  32 CA(0.9)    0.0
                         (B)   45 CA  37 CA(0.0)  43 CA(1.0)    0.0
                         (B)   45 CA  37 CA(0.2)  51 CA(0.8)    0.0
                         (B)   97 O   37 CA(0.0)  51 CA(0.9)    0.0
                         (B)   46 CA  38 CA(0.0)  44 CA(1.0)    0.0
                         (B)   46 CA  38 CA(0.2)  52 CA(0.8)    0.0
                         (B)   98 O   38 CA(0.0)  30 CA(0.9)    0.0
                         (B)   47 CA  39 CA(0.0)  41 CA(1.0)    0.0
                         (B)   47 CA  39 CA(0.2)  52 CA(0.8)    0.0
                         (B)   99 O   39 CA(0.0)  31 CA(0.9)    0.0
                         (B)   48 CA  40 CA(0.0)  42 CA(1.0)    0.0
                         (B)   48 CA  40 CA(0.2)  51 CA(0.8)    0.0
                         (B)  100 O   40 CA(0.0)  32 CA(0.9)    0.0
   63    180.5472  (B3U)
                         (B)   21 CA  31 CA(0.0)  75 O (1.0)    0.0
                         (B)   32 CA  22 CA(0.0)  76 O (1.0)    0.0
                         (B)   24 CA  30 CA(0.0)  70 O (1.0)    0.0
                         (B)   26 CA  32 CA(0.0)  72 O (1.0)    0.0
                         (B)   29 CA  27 CA(0.0)  69 O (1.0)    0.0
                         (B)   28 CA  30 CA(0.0)  74 O (1.0)    0.0
   64    181.0214  (B3U)
                         (B)    1 SI  29 CA(0.0)  53 O (1.0)    0.0
                         (B)    2 SI  30 CA(0.0)  58 O (1.0)    0.0
                         (B)    4 SI  32 CA(0.0)  56 O (1.0)    0.0
                         (B)    6 SI  30 CA(0.0)  58 O (1.0)    0.0
                         (B)   31 CA   7 SI(0.0)  59 O (1.0)    0.0
                         (B)    8 SI  32 CA(0.0)  56 O (1.0)    0.0
                         (O)  117 O   17 SI(0.0) 101 O (0.8)    0.0
                         (O)  120 O   17 SI(0.0) 104 O (0.8)    0.0
                         (O)  118 O   18 SI(0.0) 102 O (0.8)    0.0
                         (O)  119 O   18 SI(0.0) 103 O (0.8)    0.0
                         (O)  121 O   19 SI(0.0) 105 O (0.8)    0.0
                         (O)  124 O   19 SI(0.0) 108 O (0.8)    0.0
                         (O)  122 O   20 SI(0.0) 106 O (0.8)    0.0
                         (O)  123 O   20 SI(0.0) 107 O (0.8)    0.0
                         (S)   29 CA  21 CA(0.9)                0.0
                         (B)   29 CA  21 CA(0.0)  67 O (0.9)    0.0
                         (S)   30 CA  22 CA(0.9)                0.0
                         (B)   30 CA  22 CA(0.0)  68 O (0.9)    0.0
                         (S)   32 CA  24 CA(0.9)                0.0
                         (B)   32 CA  24 CA(0.0)  66 O (0.9)    0.0
                         (B)   30 CA  26 CA(0.0)  64 O (0.9)    0.0
                         (S)   30 CA  26 CA(0.9)                0.0
                         (S)   31 CA  27 CA(0.9)                0.0
                         (B)   31 CA  27 CA(0.0)  61 O (0.9)    0.0
                         (S)   32 CA  28 CA(0.9)                0.0
                         (B)   32 CA  28 CA(0.0)  62 O (0.9)    0.0
                         (S)   29 CA  33 CA(0.6)  49 CA(0.4)    0.0
                         (O)   77 O   29 CA(0.0)  21 CA(0.7)    0.0
                         (S)   30 CA  34 CA(0.6)  50 CA(0.4)    0.0
                         (S)   30 CA  38 CA(0.6)  52 CA(0.4)    0.0
                         (O)   78 O   30 CA(0.0)  22 CA(0.7)    0.0
                         (O)   82 O   30 CA(0.0)  22 CA(0.7)    0.0
                         (S)   31 CA  39 CA(0.6)  52 CA(0.4)    0.0
                         (O)   83 O   31 CA(0.0)  27 CA(0.7)    0.0
                         (S)   32 CA  36 CA(0.6)  49 CA(0.4)    0.0
                         (S)   32 CA  40 CA(0.6)  51 CA(0.4)    0.0
                         (O)   80 O   32 CA(0.0)  24 CA(0.7)    0.0
                         (O)   84 O   32 CA(0.0)  24 CA(0.7)    0.0
                         (B)  123 O   41 CA(0.0)  61 O (0.9)    0.0
                         (B)  124 O   42 CA(0.0)  62 O (0.9)    0.0
                         (B)  121 O   43 CA(0.0)  63 O (0.9)    0.0
                         (B)  122 O   44 CA(0.0)  64 O (0.9)    0.0
                         (B)  119 O   45 CA(0.0)  65 O (0.9)    0.0
                         (B)  120 O   46 CA(0.0)  66 O (0.9)    0.0
                         (B)  117 O   47 CA(0.0)  67 O (0.9)    0.0
                         (B)  118 O   48 CA(0.0)  68 O (0.9)    0.0
                         (B)  122 O   49 CA(0.0)  96 O (1.0)    0.0
                         (B)  123 O   49 CA(0.0)  93 O (1.0)    0.0
                         (B)  121 O   50 CA(0.0)  95 O (1.0)    0.0
                         (B)  124 O   50 CA(0.0)  94 O (1.0)    0.0
                         (B)  118 O   51 CA(0.0) 100 O (1.0)    0.0
                         (B)  119 O   51 CA(0.0)  97 O (1.0)    0.0
                         (B)  117 O   52 CA(0.0)  99 O (1.0)    0.0
                         (B)  120 O   52 CA(0.0)  98 O (1.0)    0.0
   65    182.7847  (B1U)
                         (S)   93 O   49 CA(0.9)                0.0
                         (S)   96 O   49 CA(0.9)                0.0
                         (S)   94 O   50 CA(0.9)                0.0
                         (S)   95 O   50 CA(0.9)                0.0
                         (S)   97 O   51 CA(0.9)                0.0
                         (S)  100 O   51 CA(0.9)                0.0
                         (S)   98 O   52 CA(0.9)                0.0
                         (S)   99 O   52 CA(0.9)                0.0
   66    182.9626  (AU )
                         (B)   31 CA  21 CA(0.4)  67 O (0.6)    0.0
                         (B)   32 CA  22 CA(0.4)  68 O (0.6)    0.0
                         (B)   30 CA  24 CA(0.4)  66 O (0.6)    0.0
                         (B)   32 CA  26 CA(0.4)  64 O (0.6)    0.0
                         (B)   29 CA  27 CA(0.4)  61 O (0.6)    0.0
                         (B)   30 CA  28 CA(0.4)  62 O (0.6)    0.0
                         (B)   33 CA  29 CA(0.4)  21 CA(0.6)    0.0
                         (B)   34 CA  30 CA(0.4)  22 CA(0.6)    0.0
                         (B)   38 CA  30 CA(0.4)  22 CA(0.6)    0.0
                         (B)   39 CA  31 CA(0.4)  27 CA(0.6)    0.0
                         (B)   32 CA  36 CA(0.4)  24 CA(0.6)    0.0
                         (B)   40 CA  32 CA(0.4)  28 CA(0.6)    0.0
   67    185.0863  (B1G)
                         (B)   93 O   33 CA(0.0)  49 CA(1.0)    0.0
                         (B)   94 O   34 CA(0.0)  50 CA(1.0)    0.0
                         (B)   35 CA  95 O (0.0)  50 CA(1.0)    0.0
                         (B)   96 O   36 CA(0.0)  49 CA(1.0)    0.0
                         (B)   97 O   37 CA(0.0)  51 CA(1.0)    0.0
                         (B)   98 O   38 CA(0.0)  52 CA(1.0)    0.0
                         (B)   99 O   39 CA(0.0)  52 CA(1.0)    0.0
                         (B)  100 O   40 CA(0.0)  51 CA(1.0)    0.0
                         (B)   41 CA 107 O (0.0)  20 SI(1.0)    0.0
                         (O)  123 O   41 CA(0.0)  93 O (0.8)    0.0
                         (B)   42 CA 108 O (0.0)  19 SI(1.0)    0.0
                         (O)  124 O   42 CA(0.0)  94 O (0.8)    0.0
                         (B)   43 CA 105 O (0.0)  19 SI(1.0)    0.0
                         (O)  121 O   43 CA(0.0)  95 O (0.8)    0.0
                         (B)   44 CA 106 O (0.0)  20 SI(1.0)    0.0
                         (O)  122 O   44 CA(0.0)  96 O (0.8)    0.0
                         (B)   45 CA 103 O (0.0)  18 SI(1.0)    0.0
                         (O)  119 O   45 CA(0.0)  97 O (0.8)    0.0
                         (B)   46 CA 104 O (0.0)  17 SI(1.0)    0.0
                         (O)  120 O   46 CA(0.0)  98 O (0.8)    0.0
                         (B)   47 CA 101 O (0.0)  17 SI(1.0)    0.0
                         (O)  117 O   47 CA(0.0)  99 O (0.8)    0.0
                         (B)   48 CA 102 O (0.0)  18 SI(1.0)    0.0
                         (O)  118 O   48 CA(0.0) 100 O (0.8)    0.0
   68    185.1754  (B1U)
                         (B)   21 CA  31 CA(0.0)  27 CA(1.0)    0.0
                         (B)   85 O   21 CA(0.0)  29 CA(1.0)    0.0
                         (B)   22 CA  32 CA(0.0)  28 CA(1.0)    0.0
                         (B)   86 O   22 CA(0.0)  30 CA(1.0)    0.0
                         (B)   87 O   23 CA(0.0)   5 SI(1.0)    0.0
                         (B)   24 CA  30 CA(0.0)  22 CA(1.0)    0.0
                         (B)   88 O   24 CA(0.0)  32 CA(1.0)    0.0
                         (B)   89 O   25 CA(0.0)   3 SI(1.0)    0.0
                         (B)   26 CA  32 CA(0.0)  28 CA(1.0)    0.0
                         (B)   90 O   26 CA(0.0)  30 CA(1.0)    0.0
                         (B)   27 CA  29 CA(0.0)  21 CA(1.0)    0.0
                         (B)   91 O   27 CA(0.0)  31 CA(1.0)    0.0
                         (B)   28 CA  30 CA(0.0)  22 CA(1.0)    0.0
                         (B)   92 O   28 CA(0.0)  32 CA(1.0)    0.0
   69    190.7373  (B1U)
                         (B)   49 CA  33 CA(0.3)  93 O (0.6)    0.0
                         (B)   34 CA  50 CA(0.3)  94 O (0.6)    0.0
                         (B)   35 CA  50 CA(0.3)  95 O (0.6)    0.0
                         (B)   49 CA  36 CA(0.3)  96 O (0.6)    0.0
                         (B)   51 CA  37 CA(0.3)  97 O (0.6)    0.0
                         (B)   52 CA  38 CA(0.3)  98 O (0.6)    0.0
                         (B)   52 CA  39 CA(0.3)  99 O (0.6)    0.0
                         (B)   40 CA  51 CA(0.3) 100 O (0.6)    0.0
   70    191.2609  (AG )
                         (B)   39 CA  21 CA(0.0)  33 CA(1.0)    0.0
                         (B)   40 CA  22 CA(0.0)  74 O (1.0)    0.0
                         (B)   37 CA  23 CA(0.0)  35 CA(1.0)    0.0
                         (B)   38 CA  24 CA(0.0)  76 O (1.0)    0.0
                         (B)   35 CA  25 CA(0.0)  37 CA(1.0)    0.0
                         (B)   36 CA  26 CA(0.0)  70 O (1.0)    0.0
                         (B)   33 CA  27 CA(0.0)  39 CA(1.0)    0.0
                         (B)   34 CA  28 CA(0.0)  72 O (1.0)    0.0
   71    191.7857  (B2G)
                         (S)   93 O   49 CA(0.8) 122 O (0.2)    0.0
                         (S)   96 O   49 CA(0.8) 123 O (0.2)    0.0
                         (S)   94 O   50 CA(0.8) 121 O (0.2)    0.0
                         (S)   95 O   50 CA(0.8) 124 O (0.2)    0.0
                         (S)   97 O   51 CA(0.8) 118 O (0.2)    0.0
                         (S)  100 O   51 CA(0.8) 119 O (0.2)    0.0
                         (S)   98 O   52 CA(0.8) 117 O (0.2)    0.0
                         (S)   99 O   52 CA(0.8) 120 O (0.2)    0.0
   72    192.4136  (B3U)
                         (B)   93 O   49 CA(0.5)  20 SI(0.5)    0.0
                         (B)   96 O   49 CA(0.5)  20 SI(0.5)    0.0
                         (B)   94 O   50 CA(0.5)  19 SI(0.5)    0.0
                         (B)   95 O   50 CA(0.5)  94 O (0.5)    0.0
                         (B)   97 O   51 CA(0.5) 100 O (0.5)    0.0
                         (B)  100 O   51 CA(0.5)  18 SI(0.5)    0.0
                         (B)   98 O   52 CA(0.5)  17 SI(0.5)    0.0
                         (B)   99 O   52 CA(0.5)  17 SI(0.5)    0.0
   73    192.9277  (B2U)
                         (B)   33 CA  41 CA(0.0)  93 O (0.9)    0.0
                         (B)   41 CA  33 CA(0.4) 109 O (0.6)    0.0
                         (B)   34 CA  42 CA(0.0)  94 O (0.9)    0.0
                         (B)   42 CA  34 CA(0.4) 110 O (0.6)    0.0
                         (B)   35 CA  43 CA(0.0)  95 O (0.9)    0.0
                         (B)   43 CA  35 CA(0.4) 111 O (0.6)    0.0
                         (B)   36 CA  44 CA(0.0)  96 O (0.9)    0.0
                         (B)   44 CA  36 CA(0.4) 112 O (0.6)    0.0
                         (B)   37 CA  45 CA(0.0)  97 O (0.9)    0.0
                         (B)   45 CA  37 CA(0.4) 113 O (0.6)    0.0
                         (B)   38 CA  46 CA(0.0)  98 O (0.9)    0.0
                         (B)   46 CA  38 CA(0.4) 114 O (0.6)    0.0
                         (B)   39 CA  47 CA(0.0)  99 O (0.9)    0.0
                         (B)   47 CA  39 CA(0.4) 115 O (0.6)    0.0
                         (B)   40 CA  48 CA(0.0) 100 O (0.9)    0.0
                         (B)   48 CA  40 CA(0.4) 116 O (0.6)    0.0
   74    194.5349  (AU )
                         (B)   29 CA  21 CA(0.0)  53 O (1.0)    0.0
                         (S)   21 CA  29 CA(0.6)  33 CA(0.4)    0.0
                         (B)   30 CA  22 CA(0.0)  54 O (1.0)    0.0
                         (S)   30 CA  22 CA(0.6)  34 CA(0.4)    0.0
                         (B)   32 CA  24 CA(0.0)  56 O (1.0)    0.0
                         (S)   32 CA  24 CA(0.6)  36 CA(0.4)    0.0
                         (S)   30 CA  26 CA(0.6)  38 CA(0.4)    0.0
                         (B)   30 CA  26 CA(0.0)  58 O (1.0)    0.0
                         (B)   31 CA  27 CA(0.0)  59 O (1.0)    0.0
                         (S)   31 CA  27 CA(0.6)  39 CA(0.4)    0.0
                         (B)   32 CA  28 CA(0.0)  60 O (1.0)    0.0
                         (S)   28 CA  32 CA(0.6)  36 CA(0.4)    0.0
   75    194.7429  (B2U)
                         (B)   29 CA  21 CA(0.1)  33 CA(0.9)    0.0
                         (B)   21 CA  29 CA(0.4)  77 O (0.6)    0.0
                         (B)   30 CA  22 CA(0.1)  34 CA(0.9)    0.0
                         (B)   22 CA  30 CA(0.4)  82 O (0.6)    0.0
                         (B)   32 CA  24 CA(0.1)  36 CA(0.9)    0.0
                         (B)   24 CA  32 CA(0.4)  80 O (0.6)    0.0
                         (B)   26 CA  30 CA(0.4)  78 O (0.6)    0.0
                         (B)   30 CA  26 CA(0.1)  38 CA(0.9)    0.0
                         (B)   31 CA  27 CA(0.1)  39 CA(0.9)    0.0
                         (B)   27 CA  31 CA(0.4)  83 O (0.6)    0.0
                         (B)   32 CA  28 CA(0.1)  40 CA(0.9)    0.0
                         (B)   28 CA  32 CA(0.4)  80 O (0.6)    0.0
   76    195.6566  (AU )
                         (S)   21 CA  29 CA(0.5)  77 O (0.5)    0.0
                         (O)   21 CA  29 CA(0.0)  77 O (0.8)    0.0
                         (S)   22 CA  30 CA(0.5)  78 O (0.5)    0.0
                         (B)   30 CA  22 CA(0.0)  74 O (0.9)    0.0
                         (S)   24 CA  32 CA(0.5)  84 O (0.5)    0.0
                         (B)   32 CA  24 CA(0.0)  76 O (0.9)    0.0
                         (B)   30 CA  26 CA(0.0)  70 O (0.9)    0.0
                         (S)   26 CA  30 CA(0.5)  78 O (0.5)    0.0
                         (S)   27 CA  31 CA(0.5)  83 O (0.5)    0.0
                         (O)   27 CA  31 CA(0.0)  83 O (0.8)    0.0
                         (S)   28 CA  32 CA(0.5)  80 O (0.5)    0.0
                         (B)   32 CA  28 CA(0.0)  72 O (0.9)    0.0
   77    199.7650  (B1G)
                         (S)   33 CA  21 CA(0.7)  33 CA(0.3)    0.0
                         (B)   33 CA  21 CA(0.5)  75 O (0.5)    0.0
                         (B)   21 CA  85 O (0.3)   9 SI(0.7)    0.0
                         (B)   34 CA  22 CA(0.5)  76 O (0.5)    0.0
                         (S)   34 CA  22 CA(0.7)  34 CA(0.3)    0.0
                         (B)   22 CA  86 O (0.3)  10 SI(0.7)    0.0
                         (B)   35 CA  23 CA(0.5)  73 O (0.5)    0.0
                         (S)   35 CA  23 CA(0.7)  35 CA(0.3)    0.0
                         (B)   23 CA  87 O (0.3)  11 SI(0.7)    0.0
                         (S)   36 CA  24 CA(0.7)  36 CA(0.3)    0.0
                         (B)   36 CA  24 CA(0.5)  74 O (0.5)    0.0
                         (B)   24 CA  88 O (0.3)  12 SI(0.7)    0.0
                         (S)   37 CA  25 CA(0.7)  37 CA(0.3)    0.0
                         (B)   37 CA  25 CA(0.5)  71 O (0.5)    0.0
                         (B)   25 CA  89 O (0.3)  13 SI(0.7)    0.0
                         (B)   38 CA  26 CA(0.5)  72 O (0.5)    0.0
                         (S)   38 CA  26 CA(0.7)  38 CA(0.3)    0.0
                         (B)   26 CA  90 O (0.3)  14 SI(0.7)    0.0
                         (B)   39 CA  27 CA(0.5)  69 O (0.5)    0.0
                         (S)   39 CA  27 CA(0.7)  39 CA(0.3)    0.0
                         (B)   27 CA  91 O (0.3)  15 SI(0.7)    0.0
                         (S)   40 CA  28 CA(0.7)  40 CA(0.3)    0.0
                         (B)   40 CA  28 CA(0.5)  70 O (0.5)    0.0
                         (B)   28 CA  92 O (0.3)  16 SI(0.7)    0.0
                         (S)  101 O   49 CA(0.6) 112 O (0.4)    0.0
                         (S)  104 O   49 CA(0.6) 109 O (0.4)    0.0
                         (S)  102 O   50 CA(0.6) 111 O (0.4)    0.0
                         (S)  103 O   50 CA(0.6) 110 O (0.4)    0.0
                         (S)  105 O   51 CA(0.6) 116 O (0.4)    0.0
                         (S)  108 O   51 CA(0.6) 113 O (0.4)    0.0
                         (S)  106 O   52 CA(0.6) 115 O (0.4)    0.0
                         (S)  107 O   52 CA(0.6) 114 O (0.4)    0.0
   78    201.3666  (B2G)
                         (S)   75 O   21 CA(0.7)  67 O (0.2)    0.0
                         (S)   76 O   22 CA(0.7)  74 O (0.2)    0.0
                         (S)   73 O   23 CA(0.7)  65 O (0.2)    0.0
                         (S)   74 O   24 CA(0.7)  76 O (0.2)    0.0
                         (S)   71 O   25 CA(0.7)  63 O (0.2)    0.0
                         (S)   72 O   26 CA(0.7)  70 O (0.2)    0.0
                         (S)   69 O   27 CA(0.7)  61 O (0.2)    0.0
                         (S)   70 O   28 CA(0.7)  72 O (0.2)    0.0
                         (S)   93 O   49 CA(0.9)                0.0
                         (S)   96 O   49 CA(0.9)                0.0
                         (S)   94 O   50 CA(0.9)                0.0
                         (S)   95 O   50 CA(0.9)                0.0
                         (S)   97 O   51 CA(0.9)                0.0
                         (S)  100 O   51 CA(0.9)                0.0
                         (S)   98 O   52 CA(0.9)                0.0
                         (S)   99 O   52 CA(0.9)                0.0
   79    201.9149  (B1U)
                         (B)   29 CA  21 CA(0.1)  67 O (0.9)    0.0
                         (B)   21 CA  29 CA(0.0)  27 CA(1.0)    0.0
                         (O)   83 O   21 CA(0.0)  33 CA(0.8)    0.0
                         (B)   30 CA  22 CA(0.1)  68 O (0.9)    0.0
                         (B)   22 CA  30 CA(0.0)  28 CA(1.0)    0.0
                         (O)   84 O   22 CA(0.0)  34 CA(0.8)    0.0
                         (O)   81 O   23 CA(0.0)  35 CA(0.8)    0.0
                         (B)   32 CA  24 CA(0.1)  66 O (0.9)    0.0
                         (B)   24 CA  32 CA(0.0)  26 CA(1.0)    0.0
                         (O)   82 O   24 CA(0.0)  36 CA(0.8)    0.0
                         (O)   79 O   25 CA(0.0)  37 CA(0.8)    0.0
                         (B)   26 CA  30 CA(0.0)  24 CA(1.0)    0.0
                         (B)   30 CA  26 CA(0.1)  64 O (0.9)    0.0
                         (O)   80 O   26 CA(0.0)  38 CA(0.8)    0.0
                         (B)   31 CA  27 CA(0.1)  61 O (0.9)    0.0
                         (B)   27 CA  31 CA(0.0)  21 CA(1.0)    0.0
                         (O)   77 O   27 CA(0.0)  39 CA(0.8)    0.0
                         (B)   32 CA  28 CA(0.1)  62 O (0.9)    0.0
                         (B)   28 CA  32 CA(0.0)  22 CA(1.0)    0.0
                         (O)   78 O   28 CA(0.0)  40 CA(0.8)    0.0
                         (B)   29 CA  33 CA(0.0)  49 CA(1.0)    0.0
                         (B)   30 CA  34 CA(0.0)  50 CA(1.0)    0.0
                         (B)   30 CA  38 CA(0.0)  52 CA(1.0)    0.0
                         (B)   31 CA  39 CA(0.0)  52 CA(1.0)    0.0
                         (B)   32 CA  36 CA(0.0)  49 CA(1.0)    0.0
                         (B)   32 CA  40 CA(0.0)  51 CA(1.0)    0.0
                         (B)  115 O   41 CA(0.0)  61 O (0.9)    0.0
                         (B)  116 O   42 CA(0.0)  62 O (0.9)    0.0
                         (B)  113 O   43 CA(0.0)  63 O (0.9)    0.0
                         (B)  114 O   44 CA(0.0)  64 O (0.9)    0.0
                         (B)  111 O   45 CA(0.0)  65 O (0.9)    0.0
                         (B)  112 O   46 CA(0.0)  66 O (0.9)    0.0
                         (B)  109 O   47 CA(0.0)  67 O (0.9)    0.0
                         (B)  110 O   48 CA(0.0)  68 O (0.9)    0.0
   80    201.9273  (B1G)
                         (B)   33 CA  21 CA(0.1)  53 O (0.9)    0.0
                         (S)   21 CA  33 CA(0.6)  77 O (0.4)    0.0
                         (S)   22 CA  34 CA(0.6)  78 O (0.4)    0.0
                         (B)   34 CA  22 CA(0.1)  54 O (0.9)    0.0
                         (S)   23 CA  35 CA(0.6)  79 O (0.4)    0.0
                         (B)   35 CA  23 CA(0.1)  55 O (0.9)    0.0
                         (B)   36 CA  24 CA(0.1)  56 O (0.9)    0.0
                         (S)   24 CA  36 CA(0.6)  80 O (0.4)    0.0
                         (B)   37 CA  25 CA(0.1)  57 O (0.9)    0.0
                         (S)   25 CA  37 CA(0.6)  81 O (0.4)    0.0
                         (S)   26 CA  38 CA(0.6)  82 O (0.4)    0.0
                         (B)   38 CA  26 CA(0.1)  58 O (0.9)    0.0
                         (S)   27 CA  39 CA(0.6)  83 O (0.4)    0.0
                         (B)   39 CA  27 CA(0.1)  59 O (0.9)    0.0
                         (B)   40 CA  28 CA(0.1)  60 O (0.9)    0.0
                         (S)   28 CA  40 CA(0.6)  84 O (0.4)    0.0
                         (B)   33 CA  41 CA(0.1) 115 O (0.9)    0.0
                         (S)   41 CA  33 CA(0.7)  77 O (0.3)    0.0
                         (B)   34 CA  42 CA(0.1) 116 O (0.9)    0.0
                         (S)   42 CA  34 CA(0.7)  78 O (0.3)    0.0
                         (B)   35 CA  43 CA(0.1) 113 O (0.9)    0.0
                         (S)   43 CA  35 CA(0.7)  79 O (0.3)    0.0
                         (B)   36 CA  44 CA(0.1) 114 O (0.9)    0.0
                         (S)   44 CA  36 CA(0.7)  80 O (0.3)    0.0
                         (B)   37 CA  45 CA(0.1) 111 O (0.9)    0.0
                         (S)   45 CA  37 CA(0.7)  81 O (0.3)    0.0
                         (B)   38 CA  46 CA(0.1) 112 O (0.9)    0.0
                         (S)   46 CA  38 CA(0.7)  82 O (0.3)    0.0
                         (B)   39 CA  47 CA(0.1) 109 O (0.9)    0.0
                         (S)   47 CA  39 CA(0.7)  83 O (0.3)    0.0
                         (B)   40 CA  48 CA(0.1) 110 O (0.9)    0.0
                         (S)   48 CA  40 CA(0.7)  84 O (0.3)    0.0
   81    202.9680  (AG )
                         (O)  123 O   41 CA(0.0)  93 O (0.8)    0.0
                         (O)  124 O   42 CA(0.0)  94 O (0.8)    0.0
                         (O)  121 O   43 CA(0.0)  95 O (0.8)    0.0
                         (O)  122 O   44 CA(0.0)  96 O (0.8)    0.0
                         (O)  119 O   45 CA(0.0)  97 O (0.8)    0.0
                         (O)  120 O   46 CA(0.0)  98 O (0.8)    0.0
                         (O)  117 O   47 CA(0.0)  99 O (0.8)    0.0
                         (O)  118 O   48 CA(0.0) 100 O (0.8)    0.0
   82    204.6951  (B3G)
                         (B)   21 CA  33 CA(0.2) 109 O (0.8)    0.0
                         (B)   21 CA  33 CA(0.1)  77 O (0.9)    0.0
                         (B)   22 CA  34 CA(0.1)  78 O (0.9)    0.0
                         (B)   22 CA  34 CA(0.2) 110 O (0.8)    0.0
                         (B)   23 CA  35 CA(0.1)  79 O (0.9)    0.0
                         (B)   23 CA  35 CA(0.2) 111 O (0.8)    0.0
                         (B)   24 CA  36 CA(0.2) 112 O (0.8)    0.0
                         (B)   24 CA  36 CA(0.1)  80 O (0.9)    0.0
                         (B)   25 CA  37 CA(0.2) 113 O (0.8)    0.0
                         (B)   25 CA  37 CA(0.1)  81 O (0.9)    0.0
                         (B)   26 CA  38 CA(0.1)  82 O (0.9)    0.0
                         (B)   26 CA  38 CA(0.2) 114 O (0.8)    0.0
                         (B)   27 CA  39 CA(0.1)  83 O (0.9)    0.0
                         (B)   27 CA  39 CA(0.2) 115 O (0.8)    0.0
                         (B)   28 CA  40 CA(0.2) 116 O (0.8)    0.0
                         (B)   28 CA  40 CA(0.1)  84 O (0.9)    0.0
                         (B)   33 CA  85 O (0.2)  47 CA(0.8)    0.0
                         (B)   86 O   34 CA(0.2)  48 CA(0.8)    0.0
                         (B)   35 CA  87 O (0.2)  45 CA(0.8)    0.0
                         (B)   36 CA  88 O (0.2)  46 CA(0.8)    0.0
                         (B)   37 CA  89 O (0.2)  43 CA(0.8)    0.0
                         (B)   38 CA  90 O (0.2)  44 CA(0.8)    0.0
                         (B)   39 CA  91 O (0.2)  41 CA(0.8)    0.0
                         (B)   40 CA  92 O (0.2)  42 CA(0.8)    0.0
   83    205.0035  (B3U)
                         (B)   21 CA  85 O (0.0)   9 SI(0.9)    0.0
                         (B)   22 CA  86 O (0.0)  10 SI(0.9)    0.0
                         (B)   23 CA  87 O (0.0)  11 SI(0.9)    0.0
                         (B)   24 CA  88 O (0.0)  12 SI(0.9)    0.0
                         (B)   25 CA  89 O (0.0)  13 SI(0.9)    0.0
                         (B)   26 CA  90 O (0.0)  14 SI(0.9)    0.0
                         (B)   27 CA  91 O (0.0)  15 SI(0.9)    0.0
                         (B)   28 CA  92 O (0.0)  16 SI(0.9)    0.0
   84    208.3287  (B2G)
                         (S)   33 CA  85 O (0.6)  47 CA(0.3)    0.0
                         (S)   86 O   34 CA(0.6)  48 CA(0.3)    0.0
                         (S)   35 CA  87 O (0.6)  45 CA(0.3)    0.0
                         (S)   36 CA  88 O (0.6)  46 CA(0.3)    0.0
                         (S)   89 O   37 CA(0.6)  43 CA(0.3)    0.0
                         (S)   38 CA  90 O (0.6)  44 CA(0.3)    0.0
                         (S)   39 CA  91 O (0.6)  41 CA(0.3)    0.0
                         (S)   40 CA  92 O (0.6)  42 CA(0.3)    0.0
   85    209.6233  (B2U)
                         (B)   21 CA  29 CA(0.0)  53 O (1.0)    0.0
                         (S)   29 CA  21 CA(0.7)  75 O (0.3)    0.0
                         (B)   31 CA  21 CA(0.3)  33 CA(0.7)    0.0
                         (S)   33 CA  21 CA(0.7)  53 O (0.3)    0.0
                         (B)   33 CA  21 CA(0.1)  75 O (0.9)    0.0
                         (B)   39 CA  21 CA(0.0)   7 SI(1.0)    0.0
                         (B)   53 O   21 CA(0.1)  33 CA(0.9)    0.0
                         (S)   75 O   21 CA(1.0)                0.0
                         (B)   22 CA  30 CA(0.0)  58 O (1.0)    0.0
                         (S)   30 CA  22 CA(0.7)  76 O (0.3)    0.0
                         (B)   32 CA  22 CA(0.3)  34 CA(0.7)    0.0
                         (B)   34 CA  22 CA(0.1)  76 O (0.9)    0.0
                         (S)   34 CA  22 CA(0.7)  54 O (0.3)    0.0
                         (B)   40 CA  22 CA(0.0)   8 SI(1.0)    0.0
                         (B)   54 O   22 CA(0.1)  34 CA(0.9)    0.0
                         (S)   76 O   22 CA(1.0)                0.0
                         (B)   35 CA  23 CA(0.1)  73 O (0.9)    0.0
                         (S)   35 CA  23 CA(0.7)  55 O (0.3)    0.0
                         (B)   23 CA  37 CA(0.0)   5 SI(1.0)    0.0
                         (B)   55 O   23 CA(0.1)  35 CA(0.9)    0.0
                         (S)   73 O   23 CA(1.0)                0.0
                         (B)   30 CA  24 CA(0.3)  36 CA(0.7)    0.0
                         (B)   24 CA  32 CA(0.0)  56 O (1.0)    0.0
                         (S)   32 CA  24 CA(0.7)  74 O (0.3)    0.0
                         (S)   36 CA  24 CA(0.7)  56 O (0.3)    0.0
                         (B)   36 CA  24 CA(0.1)  74 O (0.9)    0.0
                         (B)   38 CA  24 CA(0.0)   6 SI(1.0)    0.0
                         (B)   56 O   24 CA(0.1)  36 CA(0.9)    0.0
                         (S)   74 O   24 CA(1.0)                0.0
                         (B)   25 CA  35 CA(0.0)   3 SI(1.0)    0.0
                         (S)   37 CA  25 CA(0.7)  57 O (0.3)    0.0
                         (B)   37 CA  25 CA(0.1)  71 O (0.9)    0.0
                         (B)   57 O   25 CA(0.1)  37 CA(0.9)    0.0
                         (S)   71 O   25 CA(1.0)                0.0
                         (S)   30 CA  26 CA(0.7)  72 O (0.3)    0.0
                         (B)   26 CA  30 CA(0.0)  58 O (1.0)    0.0
                         (B)   32 CA  26 CA(0.3)  38 CA(0.7)    0.0
                         (B)   36 CA  26 CA(0.0)   4 SI(1.0)    0.0
                         (B)   38 CA  26 CA(0.1)  72 O (0.9)    0.0
                         (S)   38 CA  26 CA(0.7)  58 O (0.3)    0.0
                         (B)   58 O   26 CA(0.1)  38 CA(0.9)    0.0
                         (S)   72 O   26 CA(1.0)                0.0
                         (B)   29 CA  27 CA(0.3)  39 CA(0.7)    0.0
                         (B)   27 CA  31 CA(0.0)  59 O (1.0)    0.0
                         (S)   31 CA  27 CA(0.7)  69 O (0.3)    0.0
                         (B)   27 CA  33 CA(0.0)   1 SI(1.0)    0.0
                         (B)   39 CA  27 CA(0.1)  69 O (0.9)    0.0
                         (S)   39 CA  27 CA(0.7)  59 O (0.3)    0.0
                         (B)   59 O   27 CA(0.1)  39 CA(0.9)    0.0
                         (S)   69 O   27 CA(1.0)                0.0
                         (B)   30 CA  28 CA(0.3)  40 CA(0.7)    0.0
                         (B)   28 CA  32 CA(0.0)  56 O (1.0)    0.0
                         (S)   32 CA  28 CA(0.7)  70 O (0.3)    0.0
                         (B)   34 CA  28 CA(0.0)   2 SI(1.0)    0.0
                         (S)   40 CA  28 CA(0.7)  60 O (0.3)    0.0
                         (B)   40 CA  28 CA(0.1)  70 O (0.9)    0.0
                         (B)   60 O   28 CA(0.1)  40 CA(0.9)    0.0
                         (S)   70 O   28 CA(1.0)                0.0
   86    210.3037  (AG )
                         (O)   67 O   21 CA(0.1)  29 CA(0.7)    0.0
                         (S)   75 O   21 CA(0.7)  33 CA(0.3)    0.0
                         (O)   68 O   22 CA(0.1)  30 CA(0.7)    0.0
                         (S)   76 O   22 CA(0.7)  34 CA(0.3)    0.0
                         (O)   65 O   23 CA(0.1)  87 O (0.6)    0.0
                         (S)   73 O   23 CA(0.7)  35 CA(0.3)    0.0
                         (O)   66 O   24 CA(0.1)  32 CA(0.7)    0.0
                         (S)   74 O   24 CA(0.7)  36 CA(0.3)    0.0
                         (O)   63 O   25 CA(0.1)  89 O (0.6)    0.0
                         (S)   71 O   25 CA(0.7)  37 CA(0.3)    0.0
                         (O)   64 O   26 CA(0.1)  30 CA(0.7)    0.0
                         (S)   72 O   26 CA(0.7)  38 CA(0.3)    0.0
                         (O)   61 O   27 CA(0.1)  31 CA(0.7)    0.0
                         (S)   69 O   27 CA(0.7)  39 CA(0.3)    0.0
                         (O)   62 O   28 CA(0.1)  32 CA(0.7)    0.0
                         (S)   70 O   28 CA(0.7)  40 CA(0.3)    0.0
   87    210.3667  (B1U)
                         (B)   29 CA   1 SI(0.0)  69 O (0.9)    0.0
                         (B)   30 CA   2 SI(0.0)  70 O (0.9)    0.0
                         (B)    4 SI  32 CA(0.0)  72 O (0.9)    0.0
                         (B)   30 CA   6 SI(0.0)  74 O (0.9)    0.0
                         (B)   31 CA   7 SI(0.0)  75 O (0.9)    0.0
                         (B)    8 SI  32 CA(0.0)  72 O (0.9)    0.0
                         (B)   31 CA  21 CA(0.0)  85 O (1.0)    0.0
                         (B)   32 CA  22 CA(0.0)  86 O (1.0)    0.0
                         (B)   30 CA  24 CA(0.0)  88 O (1.0)    0.0
                         (B)   32 CA  26 CA(0.0)  90 O (1.0)    0.0
                         (B)   29 CA  27 CA(0.0)  91 O (1.0)    0.0
                         (B)   30 CA  28 CA(0.0)  92 O (1.0)    0.0
                         (B)   53 O   29 CA(0.0)  21 CA(1.0)    0.0
                         (B)   77 O   29 CA(0.0)  21 CA(0.8)    0.0
                         (B)   54 O   30 CA(0.0)  22 CA(1.0)    0.0
                         (B)   58 O   30 CA(0.0)  22 CA(1.0)    0.0
                         (B)   78 O   30 CA(0.0)  22 CA(0.8)    0.0
                         (B)   82 O   30 CA(0.0)  22 CA(0.8)    0.0
                         (B)   59 O   31 CA(0.0)  27 CA(1.0)    0.0
                         (B)   83 O   31 CA(0.0)  27 CA(0.8)    0.0
                         (B)   56 O   32 CA(0.0)  24 CA(1.0)    0.0
                         (B)   60 O   32 CA(0.0)  24 CA(1.0)    0.0
                         (B)   80 O   32 CA(0.0)  24 CA(0.8)    0.0
                         (B)   84 O   32 CA(0.0)  24 CA(0.8)    0.0
   88    211.8887  (AU )
                         (B)   21 CA  29 CA(0.0)  53 O (1.0)    0.0
                         (S)   29 CA  21 CA(0.8)  31 CA(0.2)    0.0
                         (S)   75 O   21 CA(0.9)                0.0
                         (B)   22 CA  30 CA(0.0)  58 O (1.0)    0.0
                         (S)   30 CA  22 CA(0.8)  32 CA(0.2)    0.0
                         (S)   76 O   22 CA(0.9)                0.0
                         (S)   73 O   23 CA(0.9)                0.0
                         (B)   24 CA  32 CA(0.0)  56 O (1.0)    0.0
                         (S)   32 CA  24 CA(0.8)  30 CA(0.2)    0.0
                         (S)   74 O   24 CA(0.9)                0.0
                         (S)   71 O   25 CA(0.9)                0.0
                         (S)   30 CA  26 CA(0.8)  32 CA(0.2)    0.0
                         (B)   26 CA  30 CA(0.0)  58 O (1.0)    0.0
                         (S)   72 O   26 CA(0.9)                0.0
                         (B)   27 CA  31 CA(0.0)  59 O (1.0)    0.0
                         (S)   31 CA  27 CA(0.8)  29 CA(0.2)    0.0
                         (S)   69 O   27 CA(0.9)                0.0
                         (B)   28 CA  32 CA(0.0)  56 O (1.0)    0.0
                         (S)   32 CA  28 CA(0.8)  30 CA(0.2)    0.0
                         (S)   70 O   28 CA(0.9)                0.0
   89    212.9391  (B3G)
                         (B)   33 CA  21 CA(0.3)  31 CA(0.7)    0.0
                         (S)   33 CA  21 CA(0.9)                0.0
                         (B)   21 CA  85 O (0.0)   9 SI(1.0)    0.0
                         (S)   34 CA  22 CA(0.9)                0.0
                         (B)   34 CA  22 CA(0.3)  32 CA(0.7)    0.0
                         (B)   22 CA  86 O (0.0)  10 SI(1.0)    0.0
                         (S)   35 CA  23 CA(0.9)                0.0
                         (B)   23 CA  35 CA(0.3)  43 CA(0.7)    0.0
                         (B)   23 CA  87 O (0.0)  11 SI(1.0)    0.0
                         (B)   36 CA  24 CA(0.3)  30 CA(0.7)    0.0
                         (S)   36 CA  24 CA(0.9)                0.0
                         (B)   24 CA  88 O (0.0)  12 SI(1.0)    0.0
                         (B)   25 CA  37 CA(0.3)  45 CA(0.7)    0.0
                         (S)   37 CA  25 CA(0.9)                0.0
                         (B)   25 CA  89 O (0.0)  13 SI(1.0)    0.0
                         (S)   38 CA  26 CA(0.9)                0.0
                         (B)   38 CA  26 CA(0.3)  32 CA(0.7)    0.0
                         (B)   26 CA  90 O (0.0)  14 SI(1.0)    0.0
                         (S)   39 CA  27 CA(0.9)                0.0
                         (B)   39 CA  27 CA(0.3)  29 CA(0.7)    0.0
                         (B)   27 CA  91 O (0.0)  15 SI(1.0)    0.0
                         (B)   40 CA  28 CA(0.3)  30 CA(0.7)    0.0
                         (S)   40 CA  28 CA(0.9)                0.0
                         (B)   28 CA  92 O (0.0)  16 SI(1.0)    0.0
   90    213.1383  (B3U)
                         (B)   29 CA  21 CA(0.0)  67 O (0.9)    0.0
                         (B)   29 CA  21 CA(0.0)  83 O (1.0)    0.0
                         (S)   31 CA  21 CA(0.9)                0.0
                         (B)   30 CA  22 CA(0.0)  68 O (0.9)    0.0
                         (B)   30 CA  22 CA(0.0)  84 O (1.0)    0.0
                         (S)   32 CA  22 CA(0.9)                0.0
                         (S)   30 CA  24 CA(0.9)                0.0
                         (B)   32 CA  24 CA(0.0)  66 O (0.9)    0.0
                         (B)   32 CA  24 CA(0.0)  82 O (1.0)    0.0
                         (B)   30 CA  26 CA(0.0)  80 O (1.0)    0.0
                         (B)   30 CA  26 CA(0.0)  64 O (0.9)    0.0
                         (S)   32 CA  26 CA(0.9)                0.0
                         (S)   29 CA  27 CA(0.9)                0.0
                         (B)   31 CA  27 CA(0.0)  61 O (0.9)    0.0
                         (B)   31 CA  27 CA(0.0)  77 O (1.0)    0.0
                         (S)   30 CA  28 CA(0.9)                0.0
                         (B)   32 CA  28 CA(0.0)  62 O (0.9)    0.0
                         (B)   32 CA  28 CA(0.0)  78 O (1.0)    0.0
                         (B)   29 CA  33 CA(0.0)  47 CA(1.0)    0.0
                         (B)   30 CA  34 CA(0.0)  48 CA(1.0)    0.0
                         (B)   30 CA  38 CA(0.0)  44 CA(1.0)    0.0
                         (B)   31 CA  39 CA(0.0)  41 CA(1.0)    0.0
                         (B)   32 CA  36 CA(0.0)  46 CA(1.0)    0.0
                         (B)   32 CA  40 CA(0.0)  42 CA(1.0)    0.0
                         (B)   41 CA  33 CA(0.0) 109 O (1.0)    0.0
                         (B)   41 CA  33 CA(0.3)  53 O (0.7)    0.0
                         (S)   47 CA  33 CA(0.9)                0.0
                         (S)   33 CA  85 O (0.5)  47 CA(0.5)    0.0
                         (B)   42 CA  34 CA(0.0) 110 O (1.0)    0.0
                         (B)   42 CA  34 CA(0.3)  54 O (0.7)    0.0
                         (S)   48 CA  34 CA(0.9)                0.0
                         (S)   86 O   34 CA(0.5)  48 CA(0.5)    0.0
                         (B)   43 CA  35 CA(0.0) 111 O (1.0)    0.0
                         (B)   43 CA  35 CA(0.3)  55 O (0.7)    0.0
                         (S)   45 CA  35 CA(0.9)                0.0
                         (S)   35 CA  87 O (0.5)  45 CA(0.5)    0.0
                         (B)   44 CA  36 CA(0.0) 112 O (1.0)    0.0
                         (B)   44 CA  36 CA(0.3)  56 O (0.7)    0.0
                         (S)   46 CA  36 CA(0.9)                0.0
                         (S)   36 CA  88 O (0.5)  46 CA(0.5)    0.0
                         (S)   43 CA  37 CA(0.9)                0.0
                         (B)   45 CA  37 CA(0.0) 113 O (1.0)    0.0
                         (B)   45 CA  37 CA(0.3)  57 O (0.7)    0.0
                         (S)   37 CA  89 O (0.5)  43 CA(0.5)    0.0
                         (S)   44 CA  38 CA(0.9)                0.0
                         (B)   46 CA  38 CA(0.0) 114 O (1.0)    0.0
                         (B)   46 CA  38 CA(0.3)  58 O (0.7)    0.0
                         (S)   38 CA  90 O (0.5)  44 CA(0.5)    0.0
                         (S)   41 CA  39 CA(0.9)                0.0
                         (B)   47 CA  39 CA(0.0) 115 O (1.0)    0.0
                         (B)   47 CA  39 CA(0.3)  59 O (0.7)    0.0
                         (S)   39 CA  91 O (0.5)  41 CA(0.5)    0.0
                         (S)   42 CA  40 CA(0.9)                0.0
                         (B)   48 CA  40 CA(0.0) 116 O (1.0)    0.0
                         (B)   48 CA  40 CA(0.3)  60 O (0.7)    0.0
                         (S)   40 CA  92 O (0.5)  42 CA(0.5)    0.0
   91    216.2571  (B3U)
                         (B)    1 SI  29 CA(0.0)  53 O (1.0)    0.0
                         (B)    2 SI  30 CA(0.0)  58 O (1.0)    0.0
                         (B)    4 SI  32 CA(0.0)  56 O (1.0)    0.0
                         (B)    6 SI  30 CA(0.0)  58 O (1.0)    0.0
                         (B)   31 CA   7 SI(0.0)  59 O (1.0)    0.0
                         (B)    8 SI  32 CA(0.0)  56 O (1.0)    0.0
                         (B)   53 O   29 CA(0.1)   1 SI(0.9)    0.0
                         (B)   69 O   29 CA(0.4)  21 CA(0.6)    0.0
                         (O)   77 O   29 CA(0.0)  21 CA(0.7)    0.0
                         (B)   54 O   30 CA(0.1)   2 SI(0.9)    0.0
                         (B)   58 O   30 CA(0.1)   2 SI(0.9)    0.0
                         (B)   70 O   30 CA(0.4)  22 CA(0.6)    0.0
                         (B)   74 O   30 CA(0.4)  22 CA(0.6)    0.0
                         (O)   78 O   30 CA(0.0)  22 CA(0.7)    0.0
                         (O)   82 O   30 CA(0.0)  22 CA(0.7)    0.0
                         (B)   31 CA  59 O (0.1)   7 SI(0.9)    0.0
                         (B)   75 O   31 CA(0.4)  27 CA(0.6)    0.0
                         (O)   83 O   31 CA(0.0)  27 CA(0.7)    0.0
                         (B)   56 O   32 CA(0.1)   4 SI(0.9)    0.0
                         (B)   60 O   32 CA(0.1)   8 SI(0.9)    0.0
                         (B)   72 O   32 CA(0.4)  28 CA(0.6)    0.0
                         (B)   76 O   32 CA(0.4)  28 CA(0.6)    0.0
                         (O)   80 O   32 CA(0.0)  24 CA(0.7)    0.0
                         (O)   84 O   32 CA(0.0)  24 CA(0.7)    0.0
   92    216.5228  (B2U)
                         (B)   21 CA  33 CA(0.0)  41 CA(0.9)    0.0
                         (S)   33 CA  21 CA(0.6)  83 O (0.4)    0.0
                         (S)   75 O   21 CA(0.6)  33 CA(0.4)    0.0
                         (S)   34 CA  22 CA(0.6)  84 O (0.4)    0.0
                         (B)   22 CA  34 CA(0.0)  42 CA(0.9)    0.0
                         (S)   76 O   22 CA(0.6)  34 CA(0.4)    0.0
                         (S)   35 CA  23 CA(0.6)  81 O (0.4)    0.0
                         (B)   23 CA  35 CA(0.0)  43 CA(0.9)    0.0
                         (S)   73 O   23 CA(0.6)  35 CA(0.4)    0.0
                         (B)   24 CA  36 CA(0.0)  44 CA(0.9)    0.0
                         (S)   36 CA  24 CA(0.6)  82 O (0.4)    0.0
                         (S)   74 O   24 CA(0.6)  36 CA(0.4)    0.0
                         (B)   25 CA  37 CA(0.0)  45 CA(0.9)    0.0
                         (S)   37 CA  25 CA(0.6)  79 O (0.4)    0.0
                         (S)   71 O   25 CA(0.6)  37 CA(0.4)    0.0
                         (S)   38 CA  26 CA(0.6)  80 O (0.4)    0.0
                         (B)   26 CA  38 CA(0.0)  46 CA(0.9)    0.0
                         (S)   72 O   26 CA(0.6)  38 CA(0.4)    0.0
                         (S)   39 CA  27 CA(0.6)  77 O (0.4)    0.0
                         (B)   27 CA  39 CA(0.0)  47 CA(0.9)    0.0
                         (S)   69 O   27 CA(0.6)  39 CA(0.4)    0.0
                         (B)   28 CA  40 CA(0.0)  48 CA(0.9)    0.0
                         (S)   40 CA  28 CA(0.6)  78 O (0.4)    0.0
                         (S)   70 O   28 CA(0.6)  40 CA(0.4)    0.0
                         (B)   29 CA  33 CA(0.1)  77 O (0.9)    0.0
                         (B)   34 CA  30 CA(0.1)  82 O (0.9)    0.0
                         (B)   38 CA  30 CA(0.1)  78 O (0.9)    0.0
                         (B)   31 CA  39 CA(0.1)  83 O (0.9)    0.0
                         (B)   36 CA  32 CA(0.1)  80 O (0.9)    0.0
                         (B)   32 CA  40 CA(0.1)  84 O (0.9)    0.0
                         (B)   33 CA  41 CA(0.0)  52 CA(1.0)    0.0
                         (S)   41 CA  33 CA(1.0)                0.0
                         (B)   34 CA  42 CA(0.0)  51 CA(1.0)    0.0
                         (S)   42 CA  34 CA(1.0)                0.0
                         (B)   35 CA  43 CA(0.0)  51 CA(1.0)    0.0
                         (S)   43 CA  35 CA(1.0)                0.0
                         (B)   36 CA  44 CA(0.0)  52 CA(1.0)    0.0
                         (S)   44 CA  36 CA(1.0)                0.0
                         (B)   37 CA  45 CA(0.0)  50 CA(1.0)    0.0
                         (S)   45 CA  37 CA(1.0)                0.0
                         (B)   38 CA  46 CA(0.0)  49 CA(1.0)    0.0
                         (S)   46 CA  38 CA(1.0)                0.0
                         (B)   39 CA  47 CA(0.0)  49 CA(1.0)    0.0
                         (S)   47 CA  39 CA(1.0)                0.0
                         (B)   40 CA  48 CA(0.0)  50 CA(1.0)    0.0
                         (S)   48 CA  40 CA(1.0)                0.0
   93    217.7450  (AG )
                         (B)   85 O   21 CA(0.3)  33 CA(0.7)    0.0
                         (B)   86 O   22 CA(0.3)  34 CA(0.7)    0.0
                         (B)   87 O   23 CA(0.3)  35 CA(0.7)    0.0
                         (B)   88 O   24 CA(0.3)  36 CA(0.7)    0.0
                         (B)   89 O   25 CA(0.3)  37 CA(0.7)    0.0
                         (B)   90 O   26 CA(0.3)  38 CA(0.7)    0.0
                         (B)   91 O   27 CA(0.3)  39 CA(0.7)    0.0
                         (B)   92 O   28 CA(0.3)  40 CA(0.7)    0.0
                         (B)  109 O   33 CA(0.0)  29 CA(0.9)    0.0
                         (B)  110 O   34 CA(0.0)  30 CA(0.9)    0.0
                         (B)  111 O   35 CA(0.0)  23 CA(0.9)    0.0
                         (B)  112 O   36 CA(0.0)  32 CA(0.9)    0.0
                         (B)  113 O   37 CA(0.0)  25 CA(0.9)    0.0
                         (B)  114 O   38 CA(0.0)  30 CA(0.9)    0.0
                         (B)  115 O   39 CA(0.0)  31 CA(0.9)    0.0
                         (B)  116 O   40 CA(0.0)  32 CA(0.9)    0.0
                         (S)  109 O   49 CA(0.7) 123 O (0.3)    0.0
                         (S)  112 O   49 CA(0.7) 122 O (0.3)    0.0
                         (S)  110 O   50 CA(0.7) 124 O (0.3)    0.0
                         (S)  111 O   50 CA(0.7) 121 O (0.3)    0.0
                         (S)  113 O   51 CA(0.7) 119 O (0.3)    0.0
                         (S)  116 O   51 CA(0.7) 118 O (0.3)    0.0
                         (S)  114 O   52 CA(0.7) 120 O (0.3)    0.0
                         (S)  115 O   52 CA(0.7) 117 O (0.3)    0.0
   94    219.8176  (B1G)
                         (O)   91 O   41 CA(0.4)  61 O (0.5)    0.0
                         (S)  107 O   41 CA(0.6) 123 O (0.4)    0.0
                         (O)   92 O   42 CA(0.4)  62 O (0.5)    0.0
                         (S)  108 O   42 CA(0.6) 124 O (0.4)    0.0
                         (O)   89 O   43 CA(0.4)  63 O (0.5)    0.0
                         (S)  105 O   43 CA(0.6) 121 O (0.4)    0.0
                         (O)   90 O   44 CA(0.4)  64 O (0.5)    0.0
                         (S)  106 O   44 CA(0.6) 122 O (0.4)    0.0
                         (O)   87 O   45 CA(0.4)  65 O (0.5)    0.0
                         (S)  103 O   45 CA(0.6) 119 O (0.4)    0.0
                         (O)   88 O   46 CA(0.4)  66 O (0.5)    0.0
                         (S)  104 O   46 CA(0.6) 120 O (0.4)    0.0
                         (O)   85 O   47 CA(0.4)  67 O (0.5)    0.0
                         (S)  101 O   47 CA(0.6) 117 O (0.4)    0.0
                         (O)   86 O   48 CA(0.4)  68 O (0.5)    0.0
                         (S)  102 O   48 CA(0.6) 118 O (0.4)    0.0
   95    220.5035  (B3G)
                         (B)   41 CA  33 CA(0.4)  41 CA(0.6)    0.0
                         (S)   41 CA  33 CA(0.7)  41 CA(0.3)    0.0
                         (B)   42 CA  34 CA(0.4)  42 CA(0.6)    0.0
                         (S)   42 CA  34 CA(0.7)  42 CA(0.3)    0.0
                         (B)   43 CA  35 CA(0.4)  43 CA(0.6)    0.0
                         (S)   43 CA  35 CA(0.7)  43 CA(0.3)    0.0
                         (B)   44 CA  36 CA(0.4)  44 CA(0.6)    0.0
                         (S)   44 CA  36 CA(0.7)  44 CA(0.3)    0.0
                         (B)   45 CA  37 CA(0.4)  45 CA(0.6)    0.0
                         (S)   45 CA  37 CA(0.7)  45 CA(0.3)    0.0
                         (B)   46 CA  38 CA(0.4)  46 CA(0.6)    0.0
                         (S)   46 CA  38 CA(0.7)  46 CA(0.3)    0.0
                         (B)   47 CA  39 CA(0.4)  47 CA(0.6)    0.0
                         (S)   47 CA  39 CA(0.7)  47 CA(0.3)    0.0
                         (B)   48 CA  40 CA(0.4)  48 CA(0.6)    0.0
                         (S)   48 CA  40 CA(0.7)  48 CA(0.3)    0.0
                         (B)   91 O   41 CA(0.0) 123 O (1.0)    0.0
                         (B)   92 O   42 CA(0.0) 124 O (1.0)    0.0
                         (B)   89 O   43 CA(0.0) 121 O (1.0)    0.0
                         (B)   90 O   44 CA(0.0) 122 O (1.0)    0.0
                         (B)   87 O   45 CA(0.0) 119 O (1.0)    0.0
                         (B)   88 O   46 CA(0.0) 120 O (1.0)    0.0
                         (B)   85 O   47 CA(0.0) 117 O (1.0)    0.0
                         (B)   86 O   48 CA(0.0) 118 O (1.0)    0.0
   96    221.8809  (AG )
                         (B)   47 CA  33 CA(0.0)  21 CA(1.0)    0.0
                         (B)   48 CA  34 CA(0.0)  22 CA(1.0)    0.0
                         (B)   45 CA  35 CA(0.0)  23 CA(1.0)    0.0
                         (B)   46 CA  36 CA(0.0)  24 CA(1.0)    0.0
                         (B)   43 CA  37 CA(0.0)  25 CA(1.0)    0.0
                         (B)   44 CA  38 CA(0.0)  26 CA(1.0)    0.0
                         (B)   41 CA  39 CA(0.0)  27 CA(1.0)    0.0
                         (B)   42 CA  40 CA(0.0)  28 CA(1.0)    0.0
                         (B)   93 O   41 CA(0.0) 115 O (0.9)    0.0
                         (B)   94 O   42 CA(0.0) 116 O (0.9)    0.0
                         (B)   95 O   43 CA(0.0) 113 O (0.9)    0.0
                         (B)   96 O   44 CA(0.0) 114 O (0.9)    0.0
                         (B)   97 O   45 CA(0.0) 111 O (0.9)    0.0
                         (B)   98 O   46 CA(0.0) 112 O (0.9)    0.0
                         (B)   99 O   47 CA(0.0) 109 O (0.9)    0.0
                         (B)  100 O   48 CA(0.0) 110 O (0.9)    0.0
   97    222.4743  (B2U)
                         (O)   91 O   41 CA(0.2)  61 O (0.5)    0.0
                         (B)   93 O   41 CA(0.0)  52 CA(0.9)    0.0
                         (S)  107 O   41 CA(0.8) 123 O (0.2)    0.0
                         (O)   92 O   42 CA(0.2)  62 O (0.5)    0.0
                         (B)   94 O   42 CA(0.0)  51 CA(0.9)    0.0
                         (S)  108 O   42 CA(0.8) 124 O (0.2)    0.0
                         (O)   89 O   43 CA(0.2)  63 O (0.5)    0.0
                         (B)   95 O   43 CA(0.0)  51 CA(0.9)    0.0
                         (S)  105 O   43 CA(0.8) 121 O (0.2)    0.0
                         (O)   90 O   44 CA(0.2)  64 O (0.5)    0.0
                         (B)   96 O   44 CA(0.0)  52 CA(0.9)    0.0
                         (S)  106 O   44 CA(0.8) 122 O (0.2)    0.0
                         (O)   87 O   45 CA(0.2)  65 O (0.5)    0.0
                         (B)   97 O   45 CA(0.0)  50 CA(0.9)    0.0
                         (S)  103 O   45 CA(0.8) 119 O (0.2)    0.0
                         (O)   88 O   46 CA(0.2)  66 O (0.5)    0.0
                         (B)   98 O   46 CA(0.0)  49 CA(0.9)    0.0
                         (S)  104 O   46 CA(0.8) 120 O (0.2)    0.0
                         (O)   85 O   47 CA(0.2)  67 O (0.5)    0.0
                         (B)   99 O   47 CA(0.0)  49 CA(0.9)    0.0
                         (S)  101 O   47 CA(0.8) 117 O (0.2)    0.0
                         (O)   86 O   48 CA(0.2)  68 O (0.5)    0.0
                         (B)  100 O   48 CA(0.0)  50 CA(0.9)    0.0
                         (S)  102 O   48 CA(0.8) 118 O (0.2)    0.0
   98    222.9270  (B1U)
                         (O)   91 O   41 CA(0.5)  61 O (0.3)    0.0
                         (S)  107 O   41 CA(0.7)  61 O (0.3)    0.0
                         (O)   92 O   42 CA(0.5)  62 O (0.3)    0.0
                         (S)  108 O   42 CA(0.7)  62 O (0.3)    0.0
                         (O)   89 O   43 CA(0.5)  63 O (0.3)    0.0
                         (S)  105 O   43 CA(0.7)  63 O (0.3)    0.0
                         (O)   90 O   44 CA(0.5)  64 O (0.3)    0.0
                         (S)  106 O   44 CA(0.7)  64 O (0.3)    0.0
                         (O)   87 O   45 CA(0.5)  65 O (0.3)    0.0
                         (S)  103 O   45 CA(0.7)  65 O (0.3)    0.0
                         (O)   88 O   46 CA(0.5)  66 O (0.3)    0.0
                         (S)  104 O   46 CA(0.7)  66 O (0.3)    0.0
                         (O)   85 O   47 CA(0.5)  67 O (0.3)    0.0
                         (S)  101 O   47 CA(0.7)  67 O (0.3)    0.0
                         (O)   86 O   48 CA(0.5)  68 O (0.3)    0.0
                         (S)  102 O   48 CA(0.7)  68 O (0.3)    0.0
   99    224.7105  (B2G)
                         (B)   22 CA  74 O (0.2)   6 SI(0.7)    0.0
                         (B)   24 CA  76 O (0.2)   8 SI(0.7)    0.0
                         (B)   26 CA  70 O (0.2)   2 SI(0.7)    0.0
                         (B)   28 CA  72 O (0.2)   4 SI(0.7)    0.0
  100    227.1358  (B1G)
                         (S)   75 O   21 CA(1.0)                0.0
                         (B)   74 O   22 CA(0.1)  32 CA(0.9)    0.0
                         (S)   76 O   22 CA(1.0)                0.0
                         (S)   73 O   23 CA(1.0)                0.0
                         (S)   74 O   24 CA(1.0)                0.0
                         (B)   76 O   24 CA(0.1)  30 CA(0.9)    0.0
                         (S)   71 O   25 CA(1.0)                0.0
                         (B)   70 O   26 CA(0.1)  32 CA(0.9)    0.0
                         (S)   72 O   26 CA(1.0)                0.0
                         (S)   69 O   27 CA(1.0)                0.0
                         (S)   70 O   28 CA(1.0)                0.0
                         (B)   72 O   28 CA(0.1)  30 CA(0.9)    0.0
  101    227.3048  (AU )
                         (S)   85 O   33 CA(0.9)                0.0
                         (S)   86 O   34 CA(0.9)                0.0
                         (S)   87 O   35 CA(0.9)                0.0
                         (S)   88 O   36 CA(0.9)                0.0
                         (S)   89 O   37 CA(0.9)                0.0
                         (S)   90 O   38 CA(0.9)                0.0
                         (S)   91 O   39 CA(0.9)                0.0
                         (S)   92 O   40 CA(0.9)                0.0
  102    228.9224  (B1U)
                         (B)   29 CA  21 CA(0.0)  33 CA(1.0)    0.0
                         (S)   21 CA  29 CA(0.5)  33 CA(0.5)    0.0
                         (B)   30 CA  22 CA(0.0)  34 CA(1.0)    0.0
                         (S)   30 CA  22 CA(0.5)  34 CA(0.5)    0.0
                         (B)   32 CA  24 CA(0.0)  36 CA(1.0)    0.0
                         (S)   24 CA  32 CA(0.5)  36 CA(0.5)    0.0
                         (S)   30 CA  26 CA(0.5)  38 CA(0.5)    0.0
                         (B)   30 CA  26 CA(0.0)  38 CA(1.0)    0.0
                         (B)   31 CA  27 CA(0.0)  39 CA(1.0)    0.0
                         (S)   31 CA  27 CA(0.5)  39 CA(0.5)    0.0
                         (B)   32 CA  28 CA(0.0)  40 CA(1.0)    0.0
                         (S)   32 CA  28 CA(0.5)  40 CA(0.5)    0.0
  103    230.8916  (B3U)
                         (B)    9 SI  47 CA(0.0) 117 O (1.0)    0.0
                         (B)   10 SI  48 CA(0.0) 118 O (1.0)    0.0
                         (B)   11 SI  45 CA(0.0) 119 O (1.0)    0.0
                         (B)   12 SI  46 CA(0.0) 120 O (1.0)    0.0
                         (B)   13 SI  43 CA(0.0) 121 O (1.0)    0.0
                         (B)   14 SI  44 CA(0.0) 122 O (1.0)    0.0
                         (B)   15 SI  41 CA(0.0) 123 O (1.0)    0.0
                         (B)   16 SI  42 CA(0.0) 124 O (1.0)    0.0
                         (B)   41 CA  91 O (0.1)  27 CA(0.9)    0.0
                         (B)   93 O   41 CA(0.0) 115 O (1.0)    0.0
                         (B)   42 CA  92 O (0.1)  28 CA(0.9)    0.0
                         (B)   94 O   42 CA(0.0) 116 O (1.0)    0.0
                         (B)   43 CA  89 O (0.1)  25 CA(0.9)    0.0
                         (B)   95 O   43 CA(0.0) 113 O (1.0)    0.0
                         (B)   44 CA  90 O (0.1)  26 CA(0.9)    0.0
                         (B)   96 O   44 CA(0.0) 114 O (1.0)    0.0
                         (B)   45 CA  87 O (0.1)  23 CA(0.9)    0.0
                         (B)   97 O   45 CA(0.0) 111 O (1.0)    0.0
                         (B)   46 CA  88 O (0.1)  24 CA(0.9)    0.0
                         (B)   98 O   46 CA(0.0) 112 O (1.0)    0.0
                         (B)   47 CA  85 O (0.1)  21 CA(0.9)    0.0
                         (B)   99 O   47 CA(0.0) 109 O (1.0)    0.0
                         (B)   48 CA  86 O (0.1)  22 CA(0.9)    0.0
                         (B)  100 O   48 CA(0.0) 110 O (1.0)    0.0
  104    235.0598  (AG )
                         (B)   41 CA  33 CA(0.0) 109 O (1.0)    0.0
                         (B)   41 CA  33 CA(0.4)  53 O (0.6)    0.0
                         (B)   93 O   33 CA(0.0) 109 O (1.0)    0.0
                         (B)   42 CA  34 CA(0.0) 110 O (1.0)    0.0
                         (B)   42 CA  34 CA(0.4)  54 O (0.6)    0.0
                         (B)   94 O   34 CA(0.0) 110 O (1.0)    0.0
                         (B)   43 CA  35 CA(0.0) 111 O (1.0)    0.0
                         (B)   43 CA  35 CA(0.4)  55 O (0.6)    0.0
                         (B)   95 O   35 CA(0.0) 111 O (1.0)    0.0
                         (B)   44 CA  36 CA(0.0) 112 O (1.0)    0.0
                         (B)   44 CA  36 CA(0.4)  56 O (0.6)    0.0
                         (B)   96 O   36 CA(0.0) 112 O (1.0)    0.0
                         (B)   45 CA  37 CA(0.0) 113 O (1.0)    0.0
                         (B)   45 CA  37 CA(0.4)  57 O (0.6)    0.0
                         (B)   97 O   37 CA(0.0) 113 O (1.0)    0.0
                         (B)   46 CA  38 CA(0.0) 114 O (1.0)    0.0
                         (B)   46 CA  38 CA(0.4)  58 O (0.6)    0.0
                         (B)   98 O   38 CA(0.0) 114 O (1.0)    0.0
                         (B)   47 CA  39 CA(0.0) 115 O (1.0)    0.0
                         (B)   47 CA  39 CA(0.4)  59 O (0.6)    0.0
                         (B)   99 O   39 CA(0.0) 115 O (1.0)    0.0
                         (B)   48 CA  40 CA(0.0) 116 O (1.0)    0.0
                         (B)   48 CA  40 CA(0.4)  60 O (0.6)    0.0
                         (B)  100 O   40 CA(0.0) 116 O (1.0)    0.0
  105    235.2984  (B3U)
                         (S)   41 CA  52 CA(0.6) 117 O (0.4)    0.0
                         (S)   42 CA  51 CA(0.6) 118 O (0.4)    0.0
                         (S)   43 CA  51 CA(0.6) 119 O (0.4)    0.0
                         (S)   44 CA  52 CA(0.6) 120 O (0.4)    0.0
                         (S)   45 CA  50 CA(0.6) 121 O (0.4)    0.0
                         (S)   46 CA  49 CA(0.6) 122 O (0.4)    0.0
                         (S)   47 CA  49 CA(0.6) 123 O (0.4)    0.0
                         (S)   48 CA  50 CA(0.6) 124 O (0.4)    0.0
                         (B)   93 O   49 CA(0.5) 101 O (0.5)    0.0
                         (B)   96 O   49 CA(0.5) 104 O (0.5)    0.0
                         (B)   94 O   50 CA(0.5) 102 O (0.5)    0.0
                         (B)   95 O   50 CA(0.5) 103 O (0.5)    0.0
                         (B)   97 O   51 CA(0.5) 105 O (0.5)    0.0
                         (B)  100 O   51 CA(0.5) 108 O (0.5)    0.0
                         (B)   98 O   52 CA(0.5) 106 O (0.5)    0.0
                         (B)   99 O   52 CA(0.5) 107 O (0.5)    0.0
  106    236.2826  (AU )
                         (B)    9 SI  47 CA(0.0)  49 CA(1.0)    0.0
                         (B)   10 SI  48 CA(0.0)  50 CA(1.0)    0.0
                         (B)   11 SI  45 CA(0.0)  50 CA(1.0)    0.0
                         (B)   12 SI  46 CA(0.0)  49 CA(1.0)    0.0
                         (B)   13 SI  43 CA(0.0)  51 CA(1.0)    0.0
                         (B)   14 SI  44 CA(0.0)  52 CA(1.0)    0.0
                         (B)   15 SI  41 CA(0.0)  52 CA(1.0)    0.0
                         (B)   16 SI  42 CA(0.0)  51 CA(1.0)    0.0
                         (B)   33 CA  41 CA(0.0)  52 CA(1.0)    0.0
                         (S)   41 CA  33 CA(1.0)                0.0
                         (B)   34 CA  42 CA(0.0)  51 CA(1.0)    0.0
                         (S)   42 CA  34 CA(1.0)                0.0
                         (B)   35 CA  43 CA(0.0)  51 CA(1.0)    0.0
                         (S)   43 CA  35 CA(1.0)                0.0
                         (B)   36 CA  44 CA(0.0)  52 CA(1.0)    0.0
                         (S)   44 CA  36 CA(1.0)                0.0
                         (B)   37 CA  45 CA(0.0)  50 CA(1.0)    0.0
                         (S)   45 CA  37 CA(1.0)                0.0
                         (B)   38 CA  46 CA(0.0)  49 CA(1.0)    0.0
                         (S)   46 CA  38 CA(1.0)                0.0
                         (B)   39 CA  47 CA(0.0)  49 CA(1.0)    0.0
                         (S)   47 CA  39 CA(1.0)                0.0
                         (B)   40 CA  48 CA(0.0)  50 CA(1.0)    0.0
                         (S)   48 CA  40 CA(1.0)                0.0
                         (B)   41 CA  61 O (0.0)   1 SI(1.0)    0.0
                         (B)   42 CA  62 O (0.0)   2 SI(1.0)    0.0
                         (B)   43 CA  63 O (0.0)   3 SI(1.0)    0.0
                         (B)   44 CA  64 O (0.0)   4 SI(1.0)    0.0
                         (B)   45 CA  65 O (0.0)   5 SI(1.0)    0.0
                         (B)   46 CA  66 O (0.0)   6 SI(1.0)    0.0
                         (B)   47 CA  67 O (0.0)   7 SI(1.0)    0.0
                         (B)   48 CA  68 O (0.0)   8 SI(1.0)    0.0
  107    237.6582  (B3G)
                         (S)   85 O   33 CA(0.6)  41 CA(0.4)    0.0
                         (B)  109 O   33 CA(0.0)  53 O (1.0)    0.0
                         (S)   86 O   34 CA(0.6)  42 CA(0.4)    0.0
                         (B)  110 O   34 CA(0.0)  54 O (1.0)    0.0
                         (S)   87 O   35 CA(0.6)  43 CA(0.4)    0.0
                         (B)  111 O   35 CA(0.0)  55 O (1.0)    0.0
                         (S)   88 O   36 CA(0.6)  44 CA(0.4)    0.0
                         (B)  112 O   36 CA(0.0)  56 O (1.0)    0.0
                         (S)   89 O   37 CA(0.6)  45 CA(0.4)    0.0
                         (B)  113 O   37 CA(0.0)  57 O (1.0)    0.0
                         (S)   90 O   38 CA(0.6)  46 CA(0.4)    0.0
                         (B)  114 O   38 CA(0.0)  58 O (1.0)    0.0
                         (S)   91 O   39 CA(0.6)  47 CA(0.4)    0.0
                         (B)  115 O   39 CA(0.0)  59 O (1.0)    0.0
                         (S)   92 O   40 CA(0.6)  48 CA(0.4)    0.0
                         (B)  116 O   40 CA(0.0)  60 O (1.0)    0.0
                         (B)   41 CA  52 CA(0.2)  38 CA(0.7)    0.0
                         (B)   91 O   41 CA(0.2)  39 CA(0.7)    0.0
                         (B)  115 O   41 CA(0.0)  93 O (0.9)    0.0
                         (B)   42 CA  51 CA(0.2)  37 CA(0.7)    0.0
                         (B)   92 O   42 CA(0.2)  40 CA(0.7)    0.0
                         (B)  116 O   42 CA(0.0)  94 O (0.9)    0.0
                         (B)   43 CA  51 CA(0.2)  40 CA(0.7)    0.0
                         (B)   43 CA  89 O (0.2)  37 CA(0.7)    0.0
                         (B)  113 O   43 CA(0.0)  95 O (0.9)    0.0
                         (B)   44 CA  52 CA(0.2)  39 CA(0.7)    0.0
                         (B)   90 O   44 CA(0.2)  38 CA(0.7)    0.0
                         (B)  114 O   44 CA(0.0)  96 O (0.9)    0.0
                         (B)   45 CA  50 CA(0.2)  34 CA(0.7)    0.0
                         (B)   87 O   45 CA(0.2)  35 CA(0.7)    0.0
                         (B)  111 O   45 CA(0.0)  97 O (0.9)    0.0
                         (B)   46 CA  49 CA(0.2)  33 CA(0.7)    0.0
                         (B)   46 CA  88 O (0.2)  36 CA(0.7)    0.0
                         (B)  112 O   46 CA(0.0)  98 O (0.9)    0.0
                         (B)   47 CA  49 CA(0.2)  36 CA(0.7)    0.0
                         (B)   47 CA  85 O (0.2)  33 CA(0.7)    0.0
                         (B)  109 O   47 CA(0.0)  99 O (0.9)    0.0
                         (B)   48 CA  50 CA(0.2)  35 CA(0.7)    0.0
                         (B)   86 O   48 CA(0.2)  34 CA(0.7)    0.0
                         (B)  110 O   48 CA(0.0) 100 O (0.9)    0.0
  108    240.4125  (B2G)
                         (B)   41 CA  33 CA(0.0) 109 O (1.0)    0.0
                         (B)   41 CA  33 CA(0.4)  53 O (0.6)    0.0
                         (B)   42 CA  34 CA(0.0) 110 O (1.0)    0.0
                         (B)   42 CA  34 CA(0.4)  54 O (0.6)    0.0
                         (B)   43 CA  35 CA(0.0) 111 O (1.0)    0.0
                         (B)   43 CA  35 CA(0.4)  55 O (0.6)    0.0
                         (B)   44 CA  36 CA(0.0) 112 O (1.0)    0.0
                         (B)   44 CA  36 CA(0.4)  56 O (0.6)    0.0
                         (B)   45 CA  37 CA(0.0) 113 O (1.0)    0.0
                         (B)   45 CA  37 CA(0.4)  57 O (0.6)    0.0
                         (B)   46 CA  38 CA(0.0) 114 O (1.0)    0.0
                         (B)   46 CA  38 CA(0.4)  58 O (0.6)    0.0
                         (B)   47 CA  39 CA(0.0) 115 O (1.0)    0.0
                         (B)   47 CA  39 CA(0.4)  59 O (0.6)    0.0
                         (B)   48 CA  40 CA(0.0) 116 O (1.0)    0.0
                         (B)   48 CA  40 CA(0.4)  60 O (0.6)    0.0
  109    241.5572  (AG )
                         (B)   53 O   21 CA(0.1)  39 CA(0.9)    0.0
                         (B)   75 O   21 CA(0.1)  29 CA(0.9)    0.0
                         (S)   83 O   21 CA(0.9)                0.0
                         (B)   85 O   21 CA(0.0)  39 CA(1.0)    0.0
                         (B)   54 O   22 CA(0.1)  40 CA(0.9)    0.0
                         (B)   76 O   22 CA(0.1)  30 CA(0.9)    0.0
                         (S)   84 O   22 CA(0.9)                0.0
                         (B)   86 O   22 CA(0.0)  40 CA(1.0)    0.0
                         (B)   55 O   23 CA(0.1)  37 CA(0.9)    0.0
                         (B)   73 O   23 CA(0.1)  81 O (0.8)    0.0
                         (S)   81 O   23 CA(0.9)                0.0
                         (B)   87 O   23 CA(0.0)  37 CA(1.0)    0.0
                         (B)   56 O   24 CA(0.1)  38 CA(0.9)    0.0
                         (B)   74 O   24 CA(0.1)  32 CA(0.9)    0.0
                         (S)   82 O   24 CA(0.9)                0.0
                         (B)   88 O   24 CA(0.0)  38 CA(1.0)    0.0
                         (B)   57 O   25 CA(0.1)  35 CA(0.9)    0.0
                         (B)   71 O   25 CA(0.1)  79 O (0.8)    0.0
                         (S)   79 O   25 CA(0.9)                0.0
                         (B)   89 O   25 CA(0.0)  35 CA(1.0)    0.0
                         (B)   58 O   26 CA(0.1)  36 CA(0.9)    0.0
                         (B)   72 O   26 CA(0.1)  30 CA(0.9)    0.0
                         (S)   80 O   26 CA(0.9)                0.0
                         (B)   90 O   26 CA(0.0)  36 CA(1.0)    0.0
                         (B)   59 O   27 CA(0.1)  33 CA(0.9)    0.0
                         (B)   69 O   27 CA(0.1)  31 CA(0.9)    0.0
                         (S)   77 O   27 CA(0.9)                0.0
                         (B)   91 O   27 CA(0.0)  33 CA(1.0)    0.0
                         (B)   60 O   28 CA(0.1)  34 CA(0.9)    0.0
                         (B)   70 O   28 CA(0.1)  32 CA(0.9)    0.0
                         (S)   78 O   28 CA(0.9)                0.0
                         (B)   92 O   28 CA(0.0)  34 CA(1.0)    0.0
  110    242.0697  (AU )
                         (S)   21 CA  29 CA(0.8)   1 SI(0.2)    0.0
                         (B)   29 CA  21 CA(0.2)  67 O (0.7)    0.0
                         (S)   39 CA  21 CA(0.5)  67 O (0.5)    0.0
                         (S)   67 O   21 CA(0.8)  29 CA(0.2)    0.0
                         (S)   22 CA  30 CA(0.8)   2 SI(0.2)    0.0
                         (B)   30 CA  22 CA(0.2)  74 O (0.8)    0.0
                         (S)   40 CA  22 CA(0.5)  68 O (0.5)    0.0
                         (S)   68 O   22 CA(0.8)  30 CA(0.2)    0.0
                         (S)   23 CA  37 CA(0.5)  65 O (0.5)    0.0
                         (S)   65 O   23 CA(0.8)  37 CA(0.2)    0.0
                         (S)   24 CA  32 CA(0.8)   8 SI(0.2)    0.0
                         (B)   32 CA  24 CA(0.2)  76 O (0.8)    0.0
                         (S)   38 CA  24 CA(0.5)  66 O (0.5)    0.0
                         (S)   66 O   24 CA(0.8)  32 CA(0.2)    0.0
                         (S)   25 CA  35 CA(0.5)  63 O (0.5)    0.0
                         (S)   63 O   25 CA(0.8)  35 CA(0.2)    0.0
                         (B)   30 CA  26 CA(0.2)  70 O (0.8)    0.0
                         (S)   26 CA  30 CA(0.8)   2 SI(0.2)    0.0
                         (S)   36 CA  26 CA(0.5)  64 O (0.5)    0.0
                         (S)   64 O   26 CA(0.8)  30 CA(0.2)    0.0
                         (S)   27 CA  31 CA(0.8)   7 SI(0.2)    0.0
                         (B)   31 CA  27 CA(0.2)  61 O (0.7)    0.0
                         (S)   33 CA  27 CA(0.5)  61 O (0.5)    0.0
                         (S)   61 O   27 CA(0.8)  31 CA(0.2)    0.0
                         (S)   28 CA  32 CA(0.8)   4 SI(0.2)    0.0
                         (B)   32 CA  28 CA(0.2)  72 O (0.8)    0.0
                         (S)   34 CA  28 CA(0.5)  62 O (0.5)    0.0
                         (S)   62 O   28 CA(0.8)  32 CA(0.2)    0.0
                         (O)  123 O   41 CA(0.0)  61 O (0.7)    0.0
                         (O)  124 O   42 CA(0.0)  62 O (0.7)    0.0
                         (O)  121 O   43 CA(0.0)  63 O (0.7)    0.0
                         (O)  122 O   44 CA(0.0)  64 O (0.7)    0.0
                         (O)  119 O   45 CA(0.0)  65 O (0.7)    0.0
                         (O)  120 O   46 CA(0.0)  66 O (0.7)    0.0
                         (O)  117 O   47 CA(0.0)  67 O (0.7)    0.0
                         (O)  118 O   48 CA(0.0)  68 O (0.7)    0.0
                         (B)  122 O   49 CA(0.1)  47 CA(0.9)    0.0
                         (B)  123 O   49 CA(0.1)  46 CA(0.9)    0.0
                         (B)  121 O   50 CA(0.1)  48 CA(0.9)    0.0
                         (B)  124 O   50 CA(0.1)  45 CA(0.9)    0.0
                         (B)  118 O   51 CA(0.1)  43 CA(0.9)    0.0
                         (B)  119 O   51 CA(0.1)  42 CA(0.9)    0.0
                         (B)  117 O   52 CA(0.1)  44 CA(0.9)    0.0
                         (B)  120 O   52 CA(0.1)  41 CA(0.9)    0.0
  111    244.2524  (B3G)
                         (B)   53 O   21 CA(0.0)  85 O (0.9)    0.0
                         (B)   67 O   21 CA(0.3)  29 CA(0.7)    0.0
                         (S)   75 O   21 CA(0.9)                0.0
                         (B)   54 O   22 CA(0.0)  86 O (0.9)    0.0
                         (B)   68 O   22 CA(0.3)  30 CA(0.7)    0.0
                         (S)   76 O   22 CA(0.9)                0.0
                         (B)   55 O   23 CA(0.0)  87 O (0.9)    0.0
                         (B)   23 CA  65 O (0.3)  37 CA(0.6)    0.0
                         (S)   73 O   23 CA(0.9)                0.0
                         (B)   56 O   24 CA(0.0)  88 O (0.9)    0.0
                         (B)   66 O   24 CA(0.3)  32 CA(0.7)    0.0
                         (S)   74 O   24 CA(0.9)                0.0
                         (B)   57 O   25 CA(0.0)  89 O (0.9)    0.0
                         (B)   63 O   25 CA(0.3)  35 CA(0.6)    0.0
                         (S)   71 O   25 CA(0.9)                0.0
                         (B)   58 O   26 CA(0.0)  90 O (0.9)    0.0
                         (B)   64 O   26 CA(0.3)  30 CA(0.7)    0.0
                         (S)   72 O   26 CA(0.9)                0.0
                         (B)   59 O   27 CA(0.0)  91 O (0.9)    0.0
                         (B)   61 O   27 CA(0.3)  31 CA(0.7)    0.0
                         (S)   69 O   27 CA(0.9)                0.0
                         (B)   60 O   28 CA(0.0)  92 O (0.9)    0.0
                         (B)   62 O   28 CA(0.3)  32 CA(0.7)    0.0
                         (S)   70 O   28 CA(0.9)                0.0
                         (B)   61 O   41 CA(0.0) 123 O (1.0)    0.0
                         (B)   62 O   42 CA(0.0) 124 O (1.0)    0.0
                         (B)   63 O   43 CA(0.0) 121 O (1.0)    0.0
                         (B)   64 O   44 CA(0.0) 122 O (1.0)    0.0
                         (B)   65 O   45 CA(0.0) 119 O (1.0)    0.0
                         (B)   66 O   46 CA(0.0) 120 O (1.0)    0.0
                         (B)   67 O   47 CA(0.0) 117 O (1.0)    0.0
                         (B)   68 O   48 CA(0.0) 118 O (1.0)    0.0
  112    247.4087  (B2U)
                         (S)   29 CA  21 CA(0.9)                0.0
                         (B)   29 CA  21 CA(0.1)   7 SI(0.9)    0.0
                         (B)   75 O   21 CA(0.4)  83 O (0.6)    0.0
                         (S)   30 CA  22 CA(0.9)                0.0
                         (B)   30 CA  22 CA(0.1)   8 SI(0.9)    0.0
                         (B)   76 O   22 CA(0.4)  84 O (0.6)    0.0
                         (B)   73 O   23 CA(0.4)  81 O (0.6)    0.0
                         (S)   32 CA  24 CA(0.9)                0.0
                         (B)   32 CA  24 CA(0.1)   6 SI(0.9)    0.0
                         (B)   74 O   24 CA(0.4)  82 O (0.6)    0.0
                         (B)   71 O   25 CA(0.4)  79 O (0.6)    0.0
                         (B)   30 CA  26 CA(0.1)   4 SI(0.9)    0.0
                         (S)   30 CA  26 CA(0.9)                0.0
                         (B)   72 O   26 CA(0.4)  80 O (0.6)    0.0
                         (S)   31 CA  27 CA(0.9)                0.0
                         (B)   31 CA  27 CA(0.1)   1 SI(0.9)    0.0
                         (B)   69 O   27 CA(0.4)  77 O (0.6)    0.0
                         (S)   32 CA  28 CA(0.9)                0.0
                         (B)   32 CA  28 CA(0.1)   2 SI(0.9)    0.0
                         (B)   70 O   28 CA(0.4)  78 O (0.6)    0.0
  113    247.5622  (B2G)
                         (B)   75 O   21 CA(0.3)  39 CA(0.7)    0.0
                         (S)   83 O   21 CA(0.8)   7 SI(0.2)    0.0
                         (B)   76 O   22 CA(0.3)  40 CA(0.7)    0.0
                         (S)   84 O   22 CA(0.8)   8 SI(0.2)    0.0
                         (B)   73 O   23 CA(0.3)  37 CA(0.7)    0.0
                         (S)   81 O   23 CA(0.8)   5 SI(0.2)    0.0
                         (B)   74 O   24 CA(0.3)  38 CA(0.7)    0.0
                         (S)   82 O   24 CA(0.8)   6 SI(0.2)    0.0
                         (B)   71 O   25 CA(0.3)  35 CA(0.7)    0.0
                         (S)   79 O   25 CA(0.8)   3 SI(0.2)    0.0
                         (B)   72 O   26 CA(0.3)  36 CA(0.7)    0.0
                         (S)   80 O   26 CA(0.8)   4 SI(0.2)    0.0
                         (B)   69 O   27 CA(0.3)  33 CA(0.7)    0.0
                         (S)   77 O   27 CA(0.8)   1 SI(0.2)    0.0
                         (B)   70 O   28 CA(0.3)  34 CA(0.7)    0.0
                         (S)   78 O   28 CA(0.8)   2 SI(0.2)    0.0
  114    247.6942  (B3U)
                         (S)   83 O   21 CA(0.7)  29 CA(0.3)    0.0
                         (S)   84 O   22 CA(0.7)  30 CA(0.3)    0.0
                         (S)   81 O   23 CA(0.7)  65 O (0.3)    0.0
                         (S)   82 O   24 CA(0.7)  32 CA(0.3)    0.0
                         (S)   79 O   25 CA(0.7)  63 O (0.3)    0.0
                         (S)   80 O   26 CA(0.7)  30 CA(0.3)    0.0
                         (S)   77 O   27 CA(0.7)  31 CA(0.3)    0.0
                         (S)   78 O   28 CA(0.7)  32 CA(0.3)    0.0
  115    247.8401  (B1G)
                         (O)   83 O   21 CA(0.2)  33 CA(0.7)    0.0
                         (B)   74 O   22 CA(0.1)  54 O (0.9)    0.0
                         (O)   84 O   22 CA(0.2)  34 CA(0.7)    0.0
                         (O)   81 O   23 CA(0.2)  35 CA(0.7)    0.0
                         (B)   76 O   24 CA(0.1)  56 O (0.9)    0.0
                         (O)   82 O   24 CA(0.2)  36 CA(0.7)    0.0
                         (O)   79 O   25 CA(0.2)  37 CA(0.7)    0.0
                         (B)   70 O   26 CA(0.1)  58 O (0.9)    0.0
                         (O)   80 O   26 CA(0.2)  38 CA(0.7)    0.0
                         (O)   77 O   27 CA(0.2)  39 CA(0.7)    0.0
                         (B)   72 O   28 CA(0.1)  60 O (0.9)    0.0
                         (O)   78 O   28 CA(0.2)  40 CA(0.7)    0.0
                         (S)  107 O   41 CA(0.8) 123 O (0.2)    0.0
                         (S)  108 O   42 CA(0.8) 124 O (0.2)    0.0
                         (S)  105 O   43 CA(0.8) 121 O (0.2)    0.0
                         (S)  106 O   44 CA(0.8) 122 O (0.2)    0.0
                         (S)  103 O   45 CA(0.8) 119 O (0.2)    0.0
                         (S)  104 O   46 CA(0.8) 120 O (0.2)    0.0
                         (S)  101 O   47 CA(0.8) 117 O (0.2)    0.0
                         (S)  102 O   48 CA(0.8) 118 O (0.2)    0.0
  116    249.9686  (B2G)
                         (B)   67 O   21 CA(0.1)  39 CA(0.9)    0.0
                         (B)   22 CA  68 O (0.1)  40 CA(0.9)    0.0
                         (B)   74 O   22 CA(0.1)  40 CA(0.8)    0.0
                         (B)   23 CA  65 O (0.1)  37 CA(0.9)    0.0
                         (B)   24 CA  66 O (0.1)  38 CA(0.9)    0.0
                         (B)   76 O   24 CA(0.1)  38 CA(0.8)    0.0
                         (B)   63 O   25 CA(0.1)  35 CA(0.9)    0.0
                         (B)   64 O   26 CA(0.1)  36 CA(0.9)    0.0
                         (B)   70 O   26 CA(0.1)  36 CA(0.8)    0.0
                         (B)   27 CA  61 O (0.1)  33 CA(0.9)    0.0
                         (B)   28 CA  62 O (0.1)  34 CA(0.9)    0.0
                         (B)   72 O   28 CA(0.1)  34 CA(0.8)    0.0
                         (S)   33 CA  61 O (0.8)  27 CA(0.2)    0.0
                         (S)   62 O   34 CA(0.8)  28 CA(0.2)    0.0
                         (S)   63 O   35 CA(0.8)  25 CA(0.2)    0.0
                         (S)   64 O   36 CA(0.8)  26 CA(0.2)    0.0
                         (S)   65 O   37 CA(0.8)  23 CA(0.2)    0.0
                         (S)   66 O   38 CA(0.8)  24 CA(0.2)    0.0
                         (S)   67 O   39 CA(0.8)  21 CA(0.2)    0.0
                         (S)   40 CA  68 O (0.8)  22 CA(0.2)    0.0
                         (B)   61 O   41 CA(0.0)  33 CA(1.0)    0.0
                         (B)   42 CA  62 O (0.0)  34 CA(1.0)    0.0
                         (B)   43 CA  63 O (0.0)  35 CA(1.0)    0.0
                         (B)   64 O   44 CA(0.0)  36 CA(1.0)    0.0
                         (B)   45 CA  65 O (0.0)  37 CA(1.0)    0.0
                         (B)   66 O   46 CA(0.0)  38 CA(1.0)    0.0
                         (B)   67 O   47 CA(0.0)  39 CA(1.0)    0.0
                         (B)   68 O   48 CA(0.0)  40 CA(1.0)    0.0
  117    250.2233  (AU )
                         (S)   29 CA  21 CA(0.9)                0.0
                         (B)   29 CA  21 CA(0.0)   7 SI(1.0)    0.0
                         (S)   75 O   21 CA(0.7)  29 CA(0.3)    0.0
                         (B)   85 O   21 CA(0.4)  33 CA(0.6)    0.0
                         (S)   30 CA  22 CA(0.9)                0.0
                         (B)   30 CA  22 CA(0.0)   8 SI(1.0)    0.0
                         (S)   76 O   22 CA(0.7)  30 CA(0.3)    0.0
                         (B)   22 CA  86 O (0.4)  34 CA(0.6)    0.0
                         (S)   73 O   23 CA(0.7)  81 O (0.3)    0.0
                         (B)   23 CA  87 O (0.4)  35 CA(0.6)    0.0
                         (S)   32 CA  24 CA(0.9)                0.0
                         (B)   32 CA  24 CA(0.0)   6 SI(1.0)    0.0
                         (S)   74 O   24 CA(0.7)  32 CA(0.3)    0.0
                         (B)   24 CA  88 O (0.4)  36 CA(0.6)    0.0
                         (S)   71 O   25 CA(0.7)  79 O (0.3)    0.0
                         (B)   25 CA  89 O (0.4)  37 CA(0.6)    0.0
                         (B)   30 CA  26 CA(0.0)   4 SI(1.0)    0.0
                         (S)   30 CA  26 CA(0.9)                0.0
                         (S)   72 O   26 CA(0.7)  30 CA(0.3)    0.0
                         (B)   90 O   26 CA(0.4)  38 CA(0.6)    0.0
                         (S)   31 CA  27 CA(0.9)                0.0
                         (B)   31 CA  27 CA(0.0)   1 SI(1.0)    0.0
                         (S)   69 O   27 CA(0.7)  31 CA(0.3)    0.0
                         (B)   91 O   27 CA(0.4)  39 CA(0.6)    0.0
                         (S)   32 CA  28 CA(0.9)                0.0
                         (B)   32 CA  28 CA(0.0)   2 SI(1.0)    0.0
                         (S)   70 O   28 CA(0.7)  32 CA(0.3)    0.0
                         (B)   28 CA  92 O (0.4)  40 CA(0.6)    0.0
                         (B)   29 CA  33 CA(0.0)   9 SI(1.0)    0.0
                         (B)   53 O   29 CA(0.0)  21 CA(1.0)    0.0
                         (S)   69 O   29 CA(0.9)                0.0
                         (B)   30 CA  34 CA(0.0)  10 SI(1.0)    0.0
                         (B)   30 CA  38 CA(0.0)  14 SI(1.0)    0.0
                         (B)   54 O   30 CA(0.0)  22 CA(1.0)    0.0
                         (B)   58 O   30 CA(0.0)  22 CA(1.0)    0.0
                         (S)   70 O   30 CA(0.9)                0.0
                         (S)   74 O   30 CA(0.9)                0.0
                         (B)   31 CA  39 CA(0.0)  15 SI(1.0)    0.0
                         (B)   59 O   31 CA(0.0)  27 CA(1.0)    0.0
                         (S)   75 O   31 CA(0.9)                0.0
                         (B)   32 CA  36 CA(0.0)  12 SI(1.0)    0.0
                         (B)   32 CA  40 CA(0.0)  16 SI(1.0)    0.0
                         (B)   56 O   32 CA(0.0)  24 CA(1.0)    0.0
                         (B)   60 O   32 CA(0.0)  24 CA(1.0)    0.0
                         (S)   72 O   32 CA(0.9)                0.0
                         (S)   76 O   32 CA(0.9)                0.0
                         (S)   33 CA  85 O (0.8)  47 CA(0.2)    0.0
                         (S)   34 CA  86 O (0.8)  48 CA(0.2)    0.0
                         (S)   87 O   35 CA(0.8)  45 CA(0.2)    0.0
                         (S)   88 O   36 CA(0.8)  46 CA(0.2)    0.0
                         (S)   37 CA  89 O (0.8)  43 CA(0.2)    0.0
                         (S)   38 CA  90 O (0.8)  44 CA(0.2)    0.0
                         (S)   39 CA  91 O (0.8)  41 CA(0.2)    0.0
                         (S)   40 CA  92 O (0.8)  42 CA(0.2)    0.0
  118    253.5369  (B1G)
                         (B)   53 O   21 CA(0.0)  85 O (0.8)    0.0
                         (B)   67 O   21 CA(0.4)  29 CA(0.6)    0.0
                         (B)   54 O   22 CA(0.0)  86 O (0.8)    0.0
                         (B)   68 O   22 CA(0.4)  30 CA(0.6)    0.0
                         (B)   55 O   23 CA(0.0)  87 O (0.8)    0.0
                         (B)   65 O   23 CA(0.4)  37 CA(0.5)    0.0
                         (B)   56 O   24 CA(0.0)  88 O (0.8)    0.0
                         (B)   66 O   24 CA(0.4)  32 CA(0.6)    0.0
                         (B)   57 O   25 CA(0.0)  89 O (0.8)    0.0
                         (B)   63 O   25 CA(0.4)  35 CA(0.5)    0.0
                         (B)   58 O   26 CA(0.0)  90 O (0.8)    0.0
                         (B)   64 O   26 CA(0.4)  30 CA(0.6)    0.0
                         (B)   59 O   27 CA(0.0)  91 O (0.8)    0.0
                         (B)   61 O   27 CA(0.4)  31 CA(0.6)    0.0
                         (B)   60 O   28 CA(0.0)  92 O (0.8)    0.0
                         (B)   62 O   28 CA(0.4)  32 CA(0.6)    0.0
                         (B)   53 O   33 CA(0.1)  21 CA(0.8)    0.0
                         (S)   61 O   33 CA(0.9)                0.0
                         (B)   54 O   34 CA(0.1)  22 CA(0.8)    0.0
                         (S)   62 O   34 CA(0.9)                0.0
                         (B)   55 O   35 CA(0.1)  23 CA(0.8)    0.0
                         (S)   63 O   35 CA(0.9)                0.0
                         (B)   56 O   36 CA(0.1)  24 CA(0.8)    0.0
                         (S)   64 O   36 CA(0.9)                0.0
                         (B)   57 O   37 CA(0.1)  25 CA(0.8)    0.0
                         (S)   65 O   37 CA(0.9)                0.0
                         (B)   58 O   38 CA(0.1)  26 CA(0.8)    0.0
                         (S)   66 O   38 CA(0.9)                0.0
                         (B)   59 O   39 CA(0.1)  27 CA(0.8)    0.0
                         (S)   67 O   39 CA(0.9)                0.0
                         (B)   60 O   40 CA(0.1)  28 CA(0.8)    0.0
                         (S)   68 O   40 CA(0.9)                0.0
  119    253.9473  (B1U)
                         (S)   75 O   21 CA(0.7)  29 CA(0.3)    0.0
                         (S)   21 CA  83 O (0.6)   7 SI(0.4)    0.0
                         (S)   76 O   22 CA(0.7)  30 CA(0.3)    0.0
                         (S)   22 CA  84 O (0.6)   8 SI(0.4)    0.0
                         (S)   73 O   23 CA(0.7)  81 O (0.2)    0.0
                         (S)   23 CA  81 O (0.6)   5 SI(0.4)    0.0
                         (S)   74 O   24 CA(0.7)  32 CA(0.3)    0.0
                         (S)   24 CA  82 O (0.6)   6 SI(0.4)    0.0
                         (S)   71 O   25 CA(0.7)  79 O (0.2)    0.0
                         (S)   25 CA  79 O (0.6)   3 SI(0.4)    0.0
                         (S)   72 O   26 CA(0.7)  30 CA(0.3)    0.0
                         (S)   26 CA  80 O (0.6)   4 SI(0.4)    0.0
                         (S)   69 O   27 CA(0.7)  31 CA(0.3)    0.0
                         (S)   27 CA  77 O (0.6)   1 SI(0.4)    0.0
                         (S)   70 O   28 CA(0.7)  32 CA(0.3)    0.0
                         (S)   28 CA  78 O (0.6)   2 SI(0.4)    0.0
  120    254.3529  (B3G)
                         (B)   93 O   49 CA(0.2)  20 SI(0.8)    0.0
                         (B)   96 O   49 CA(0.2)  20 SI(0.8)    0.0
                         (S)   49 CA 122 O (0.7)  44 CA(0.3)    0.0
                         (S)   49 CA 123 O (0.7)  41 CA(0.3)    0.0
                         (B)   94 O   50 CA(0.2)  19 SI(0.8)    0.0
                         (B)   95 O   50 CA(0.2)  94 O (0.8)    0.0
                         (S)   50 CA 121 O (0.7)  43 CA(0.3)    0.0
                         (S)   50 CA 124 O (0.7)  42 CA(0.3)    0.0
                         (B)   97 O   51 CA(0.2)  18 SI(0.8)    0.0
                         (B)  100 O   51 CA(0.2)  18 SI(0.8)    0.0
                         (S)   51 CA 118 O (0.7)  48 CA(0.3)    0.0
                         (S)   51 CA 119 O (0.7)  45 CA(0.3)    0.0
                         (B)   98 O   52 CA(0.2)  17 SI(0.8)    0.0
                         (B)   99 O   52 CA(0.2)  17 SI(0.8)    0.0
                         (S)   52 CA 117 O (0.7)  47 CA(0.3)    0.0
                         (S)   52 CA 120 O (0.7)  46 CA(0.3)    0.0
  121    256.8391  (B2U)
                         (B)    1 SI  29 CA(0.0)  21 CA(1.0)    0.0
                         (B)    2 SI  30 CA(0.0)  22 CA(1.0)    0.0
                         (B)    4 SI  32 CA(0.0)  28 CA(1.0)    0.0
                         (B)    6 SI  30 CA(0.0)  26 CA(1.0)    0.0
                         (B)    7 SI  31 CA(0.0)  27 CA(1.0)    0.0
                         (B)    8 SI  32 CA(0.0)  24 CA(1.0)    0.0
                         (S)   29 CA  21 CA(0.7)  85 O (0.3)    0.0
                         (B)   29 CA  21 CA(0.1)  67 O (0.7)    0.0
                         (S)   30 CA  22 CA(0.7)  86 O (0.3)    0.0
                         (B)   30 CA  22 CA(0.1)  74 O (0.8)    0.0
                         (S)   32 CA  24 CA(0.7)  88 O (0.3)    0.0
                         (B)   32 CA  24 CA(0.1)  76 O (0.8)    0.0
                         (B)   30 CA  26 CA(0.1)  70 O (0.8)    0.0
                         (S)   30 CA  26 CA(0.7)  90 O (0.3)    0.0
                         (S)   31 CA  27 CA(0.7)  91 O (0.3)    0.0
                         (B)   31 CA  27 CA(0.1)  61 O (0.7)    0.0
                         (S)   32 CA  28 CA(0.7)  92 O (0.3)    0.0
                         (B)   32 CA  28 CA(0.1)  72 O (0.8)    0.0
  122    257.1428  (B3G)
                         (S)   47 CA   9 SI(0.9)                0.0
                         (S)   48 CA  10 SI(0.9)                0.0
                         (S)   45 CA  11 SI(0.9)                0.0
                         (S)   46 CA  12 SI(0.9)                0.0
                         (S)   43 CA  13 SI(0.9)                0.0
                         (S)   44 CA  14 SI(0.9)                0.0
                         (S)   41 CA  15 SI(0.9)                0.0
                         (S)   42 CA  16 SI(0.9)                0.0
                         (S)   91 O   41 CA(0.6)  61 O (0.3)    0.0
                         (B)  115 O   41 CA(0.0)  33 CA(1.0)    0.0
                         (S)   92 O   42 CA(0.6)  62 O (0.3)    0.0
                         (B)  116 O   42 CA(0.0)  34 CA(1.0)    0.0
                         (S)   89 O   43 CA(0.6)  63 O (0.3)    0.0
                         (B)  113 O   43 CA(0.0)  35 CA(1.0)    0.0
                         (S)   90 O   44 CA(0.6)  64 O (0.3)    0.0
                         (B)  114 O   44 CA(0.0)  36 CA(1.0)    0.0
                         (S)   87 O   45 CA(0.6)  65 O (0.3)    0.0
                         (B)  111 O   45 CA(0.0)  37 CA(1.0)    0.0
                         (S)   88 O   46 CA(0.6)  66 O (0.3)    0.0
                         (B)  112 O   46 CA(0.0)  38 CA(1.0)    0.0
                         (S)   85 O   47 CA(0.6)  67 O (0.3)    0.0
                         (B)  109 O   47 CA(0.0)  39 CA(1.0)    0.0
                         (S)   86 O   48 CA(0.6)  68 O (0.3)    0.0
                         (B)  110 O   48 CA(0.0)  40 CA(1.0)    0.0
  123    258.4697  (B2U)
                         (B)   21 CA  85 O (0.5)   9 SI(0.5)    0.0
                         (B)   22 CA  86 O (0.5)  10 SI(0.5)    0.0
                         (B)   23 CA  87 O (0.5)  11 SI(0.5)    0.0
                         (B)   24 CA  88 O (0.5)  12 SI(0.5)    0.0
                         (B)   25 CA  89 O (0.5)  13 SI(0.5)    0.0
                         (B)   26 CA  90 O (0.5)  14 SI(0.5)    0.0
                         (B)   27 CA  91 O (0.5)  15 SI(0.5)    0.0
                         (B)   28 CA  92 O (0.5)  16 SI(0.5)    0.0
                         (O)   77 O   29 CA(0.0)  21 CA(0.7)    0.0
                         (O)   78 O   30 CA(0.0)  22 CA(0.7)    0.0
                         (O)   82 O   30 CA(0.0)  22 CA(0.7)    0.0
                         (O)   83 O   31 CA(0.0)  27 CA(0.7)    0.0
                         (O)   80 O   32 CA(0.0)  24 CA(0.7)    0.0
                         (O)   84 O   32 CA(0.0)  24 CA(0.7)    0.0
                         (B)   33 CA  85 O (0.2)  47 CA(0.8)    0.0
                         (B)   34 CA  86 O (0.2)  48 CA(0.8)    0.0
                         (B)   87 O   35 CA(0.2)  45 CA(0.8)    0.0
                         (B)   88 O   36 CA(0.2)  46 CA(0.8)    0.0
                         (B)   37 CA  89 O (0.2)  43 CA(0.8)    0.0
                         (B)   38 CA  90 O (0.2)  44 CA(0.8)    0.0
                         (B)   39 CA  91 O (0.2)  41 CA(0.8)    0.0
                         (B)   40 CA  92 O (0.2)  42 CA(0.8)    0.0
                         (S)   91 O   41 CA(0.6)  39 CA(0.3)    0.0
                         (B)   41 CA 115 O (0.0)  52 CA(1.0)    0.0
                         (S)   92 O   42 CA(0.6)  40 CA(0.3)    0.0
                         (B)  116 O   42 CA(0.0)  51 CA(1.0)    0.0
                         (S)   89 O   43 CA(0.6)  37 CA(0.3)    0.0
                         (B)  113 O   43 CA(0.0)  51 CA(1.0)    0.0
                         (S)   90 O   44 CA(0.6)  38 CA(0.3)    0.0
                         (B)  114 O   44 CA(0.0)  52 CA(1.0)    0.0
                         (S)   87 O   45 CA(0.6)  35 CA(0.3)    0.0
                         (B)  111 O   45 CA(0.0)  50 CA(1.0)    0.0
                         (S)   46 CA  88 O (0.6)  36 CA(0.3)    0.0
                         (B)  112 O   46 CA(0.0)  49 CA(1.0)    0.0
                         (S)   85 O   47 CA(0.6)  33 CA(0.3)    0.0
                         (B)  109 O   47 CA(0.0)  49 CA(1.0)    0.0
                         (S)   86 O   48 CA(0.6)  34 CA(0.3)    0.0
                         (B)  110 O   48 CA(0.0)  50 CA(1.0)    0.0
  124    259.1800  (AU )
                         (S)   91 O   41 CA(0.8)  61 O (0.2)    0.0
                         (B)  115 O   41 CA(0.0) 107 O (1.0)    0.0
                         (S)   92 O   42 CA(0.8)  62 O (0.2)    0.0
                         (B)  116 O   42 CA(0.0) 108 O (1.0)    0.0
                         (S)   89 O   43 CA(0.8)  63 O (0.2)    0.0
                         (B)  113 O   43 CA(0.0) 105 O (1.0)    0.0
                         (S)   90 O   44 CA(0.8)  64 O (0.2)    0.0
                         (B)  114 O   44 CA(0.0) 106 O (1.0)    0.0
                         (S)   87 O   45 CA(0.8)  65 O (0.2)    0.0
                         (B)  111 O   45 CA(0.0) 103 O (1.0)    0.0
                         (S)   88 O   46 CA(0.8)  66 O (0.2)    0.0
                         (B)  112 O   46 CA(0.0) 104 O (1.0)    0.0
                         (S)   85 O   47 CA(0.8)  67 O (0.2)    0.0
                         (B)  109 O   47 CA(0.0) 101 O (1.0)    0.0
                         (S)   86 O   48 CA(0.8)  68 O (0.2)    0.0
                         (B)  110 O   48 CA(0.0) 102 O (1.0)    0.0
  125    259.2128  (B3U)
                         (B)  109 O   49 CA(0.1)  20 SI(0.9)    0.0
                         (B)  112 O   49 CA(0.1)  20 SI(0.9)    0.0
                         (B)  110 O   50 CA(0.1)  19 SI(0.9)    0.0
                         (B)  111 O   50 CA(0.1)  19 SI(0.9)    0.0
                         (B)  113 O   51 CA(0.1) 116 O (0.9)    0.0
                         (B)  116 O   51 CA(0.1)  18 SI(0.9)    0.0
                         (B)  114 O   52 CA(0.1)  17 SI(0.9)    0.0
                         (B)  115 O   52 CA(0.1)  17 SI(0.9)    0.0
  126    259.5126  (AG )
                         (S)   21 CA  83 O (0.5)   7 SI(0.5)    0.0
                         (S)   22 CA  84 O (0.5)   8 SI(0.5)    0.0
                         (S)   23 CA  81 O (0.5)   5 SI(0.5)    0.0
                         (S)   24 CA  82 O (0.5)   6 SI(0.5)    0.0
                         (S)   25 CA  79 O (0.5)   3 SI(0.5)    0.0
                         (S)   26 CA  80 O (0.5)   4 SI(0.5)    0.0
                         (S)   27 CA  77 O (0.5)   1 SI(0.5)    0.0
                         (S)   28 CA  78 O (0.5)   2 SI(0.5)    0.0
  127    260.6872  (AG )
                         (S)  101 O   49 CA(0.6)  20 SI(0.4)    0.0
                         (S)  104 O   49 CA(0.6) 101 O (0.4)    0.0
                         (B)  109 O   49 CA(0.3) 123 O (0.7)    0.0
                         (B)  112 O   49 CA(0.3) 122 O (0.7)    0.0
                         (S)  102 O   50 CA(0.6) 103 O (0.4)    0.0
                         (S)  103 O   50 CA(0.6)  19 SI(0.4)    0.0
                         (B)  110 O   50 CA(0.3) 124 O (0.7)    0.0
                         (B)  111 O   50 CA(0.3) 121 O (0.7)    0.0
                         (S)  105 O   51 CA(0.6) 108 O (0.4)    0.0
                         (S)  108 O   51 CA(0.6)  18 SI(0.4)    0.0
                         (B)  113 O   51 CA(0.3) 119 O (0.7)    0.0
                         (B)  116 O   51 CA(0.3) 118 O (0.7)    0.0
                         (S)  106 O   52 CA(0.6)  17 SI(0.4)    0.0
                         (S)  107 O   52 CA(0.6) 106 O (0.4)    0.0
                         (B)  114 O   52 CA(0.3) 120 O (0.7)    0.0
                         (B)  115 O   52 CA(0.3) 117 O (0.7)    0.0
  128    260.9631  (B1G)
                         (S)   91 O   41 CA(0.6)  39 CA(0.4)    0.0
                         (B)  115 O   41 CA(0.1)  52 CA(0.9)    0.0
                         (S)   92 O   42 CA(0.6)  40 CA(0.4)    0.0
                         (B)  116 O   42 CA(0.1)  51 CA(0.9)    0.0
                         (S)   89 O   43 CA(0.6)  37 CA(0.4)    0.0
                         (B)  113 O   43 CA(0.1)  51 CA(0.9)    0.0
                         (S)   90 O   44 CA(0.6)  38 CA(0.4)    0.0
                         (B)  114 O   44 CA(0.1)  52 CA(0.9)    0.0
                         (S)   87 O   45 CA(0.6)  35 CA(0.4)    0.0
                         (B)  111 O   45 CA(0.1)  50 CA(0.9)    0.0
                         (S)   46 CA  88 O (0.6)  36 CA(0.4)    0.0
                         (B)  112 O   46 CA(0.1)  49 CA(0.9)    0.0
                         (S)   85 O   47 CA(0.6)  33 CA(0.4)    0.0
                         (B)  109 O   47 CA(0.1)  49 CA(0.9)    0.0
                         (S)   86 O   48 CA(0.6)  34 CA(0.4)    0.0
                         (B)  110 O   48 CA(0.1)  50 CA(0.9)    0.0
  129    262.0626  (B3G)
                         (B)   83 O   21 CA(0.0)  33 CA(0.9)    0.0
                         (B)   84 O   22 CA(0.0)  34 CA(0.9)    0.0
                         (B)   81 O   23 CA(0.0)  35 CA(0.9)    0.0
                         (B)   82 O   24 CA(0.0)  36 CA(0.9)    0.0
                         (B)   79 O   25 CA(0.0)  37 CA(0.9)    0.0
                         (B)   80 O   26 CA(0.0)  38 CA(0.9)    0.0
                         (B)   77 O   27 CA(0.0)  39 CA(0.9)    0.0
                         (B)   78 O   28 CA(0.0)  40 CA(0.9)    0.0
                         (B)   77 O   33 CA(0.3) 109 O (0.6)    0.0
                         (B)   78 O   34 CA(0.3) 110 O (0.6)    0.0
                         (B)   79 O   35 CA(0.3) 111 O (0.6)    0.0
                         (B)   80 O   36 CA(0.3) 112 O (0.6)    0.0
                         (B)   81 O   37 CA(0.3) 113 O (0.6)    0.0
                         (B)   82 O   38 CA(0.3) 114 O (0.6)    0.0
                         (B)   83 O   39 CA(0.3) 115 O (0.6)    0.0
                         (B)   84 O   40 CA(0.3) 116 O (0.6)    0.0
  130    262.1866  (B1U)
                         (B)   29 CA  69 O (0.2)  27 CA(0.8)    0.0
                         (B)   70 O   30 CA(0.2)  24 CA(0.8)    0.0
                         (B)   74 O   30 CA(0.2)  24 CA(0.8)    0.0
                         (B)   75 O   31 CA(0.2)  21 CA(0.8)    0.0
                         (B)   72 O   32 CA(0.2)  22 CA(0.8)    0.0
                         (B)   32 CA  76 O (0.2)  22 CA(0.8)    0.0
  131    264.2043  (B3U)
                         (B)  115 O   41 CA(0.3) 107 O (0.7)    0.0
                         (B)  123 O   41 CA(0.0) 107 O (1.0)    0.0
                         (B)  116 O   42 CA(0.3) 108 O (0.7)    0.0
                         (B)  124 O   42 CA(0.0) 108 O (1.0)    0.0
                         (B)  113 O   43 CA(0.3) 105 O (0.7)    0.0
                         (B)  121 O   43 CA(0.0) 105 O (1.0)    0.0
                         (B)  114 O   44 CA(0.3) 106 O (0.7)    0.0
                         (B)  122 O   44 CA(0.0) 106 O (1.0)    0.0
                         (B)  111 O   45 CA(0.3) 103 O (0.7)    0.0
                         (B)  119 O   45 CA(0.0) 103 O (1.0)    0.0
                         (B)  112 O   46 CA(0.3) 104 O (0.7)    0.0
                         (B)  120 O   46 CA(0.0) 104 O (1.0)    0.0
                         (B)  109 O   47 CA(0.3) 101 O (0.7)    0.0
                         (B)  117 O   47 CA(0.0) 101 O (1.0)    0.0
                         (B)  110 O   48 CA(0.3) 102 O (0.7)    0.0
                         (B)  118 O   48 CA(0.0) 102 O (1.0)    0.0
  132    265.7857  (B2G)
                         (B)   21 CA  83 O (0.2)   7 SI(0.8)    0.0
                         (B)   74 O   22 CA(0.2)  30 CA(0.8)    0.0
                         (B)   22 CA  84 O (0.2)   8 SI(0.8)    0.0
                         (B)   23 CA  81 O (0.2)   5 SI(0.8)    0.0
                         (B)   24 CA  76 O (0.2)  32 CA(0.8)    0.0
                         (B)   24 CA  82 O (0.2)   6 SI(0.8)    0.0
                         (B)   25 CA  79 O (0.2)   3 SI(0.8)    0.0
                         (B)   70 O   26 CA(0.2)  30 CA(0.8)    0.0
                         (B)   26 CA  80 O (0.2)   4 SI(0.8)    0.0
                         (B)   27 CA  77 O (0.2)   1 SI(0.8)    0.0
                         (B)   72 O   28 CA(0.2)  32 CA(0.8)    0.0
                         (B)   28 CA  78 O (0.2)   2 SI(0.8)    0.0
  133    267.0712  (AG )
                         (B)   49 CA  93 O (0.1)   9 SI(0.9)    0.0
                         (B)   49 CA  96 O (0.1)  12 SI(0.9)    0.0
                         (S)  101 O   49 CA(0.5)  20 SI(0.5)    0.0
                         (S)  104 O   49 CA(0.5)  20 SI(0.5)    0.0
                         (B)   50 CA  94 O (0.1)  10 SI(0.9)    0.0
                         (B)   50 CA  95 O (0.1)  11 SI(0.9)    0.0
                         (S)  102 O   50 CA(0.5) 103 O (0.5)    0.0
                         (S)  103 O   50 CA(0.5)  19 SI(0.5)    0.0
                         (B)   51 CA  97 O (0.1)  13 SI(0.9)    0.0
                         (B)   51 CA 100 O (0.1)  16 SI(0.9)    0.0
                         (S)  105 O   51 CA(0.5) 108 O (0.5)    0.0
                         (S)  108 O   51 CA(0.5)  18 SI(0.5)    0.0
                         (B)   52 CA  98 O (0.1)  14 SI(0.9)    0.0
                         (B)   52 CA  99 O (0.1)  15 SI(0.9)    0.0
                         (S)  106 O   52 CA(0.5) 107 O (0.5)    0.0
                         (S)  107 O   52 CA(0.5)  17 SI(0.5)    0.0
  134    267.8659  (AU )
                         (S)   77 O   29 CA(0.6)  21 CA(0.3)    0.0
                         (S)   78 O   30 CA(0.6)  22 CA(0.3)    0.0
                         (S)   82 O   30 CA(0.6)  22 CA(0.3)    0.0
                         (S)   83 O   31 CA(0.6)  27 CA(0.3)    0.0
                         (S)   80 O   32 CA(0.6)  24 CA(0.3)    0.0
                         (S)   84 O   32 CA(0.6)  24 CA(0.3)    0.0
                         (S)   41 CA  52 CA(0.8)  98 O (0.2)    0.0
                         (S)   42 CA  51 CA(0.8)  97 O (0.2)    0.0
                         (S)   43 CA  51 CA(0.8) 100 O (0.2)    0.0
                         (S)   44 CA  52 CA(0.8)  99 O (0.2)    0.0
                         (S)   45 CA  50 CA(0.8)  94 O (0.2)    0.0
                         (S)   46 CA  49 CA(0.8)  93 O (0.2)    0.0
                         (S)   47 CA  49 CA(0.8)  96 O (0.2)    0.0
                         (S)   48 CA  50 CA(0.8)  95 O (0.2)    0.0
  135    268.5527  (B1G)
                         (B)   75 O   21 CA(0.0)  33 CA(0.9)    0.0
                         (B)   83 O   21 CA(0.2)  33 CA(0.8)    0.0
                         (B)   76 O   22 CA(0.0)  34 CA(0.9)    0.0
                         (B)   84 O   22 CA(0.2)  34 CA(0.8)    0.0
                         (B)   73 O   23 CA(0.0)  35 CA(0.9)    0.0
                         (B)   81 O   23 CA(0.2)  35 CA(0.8)    0.0
                         (B)   74 O   24 CA(0.0)  36 CA(0.9)    0.0
                         (B)   82 O   24 CA(0.2)  36 CA(0.8)    0.0
                         (B)   71 O   25 CA(0.0)  37 CA(0.9)    0.0
                         (B)   79 O   25 CA(0.2)  37 CA(0.8)    0.0
                         (B)   72 O   26 CA(0.0)  38 CA(0.9)    0.0
                         (B)   80 O   26 CA(0.2)  38 CA(0.8)    0.0
                         (B)   69 O   27 CA(0.0)  39 CA(0.9)    0.0
                         (B)   77 O   27 CA(0.2)  39 CA(0.8)    0.0
                         (B)   70 O   28 CA(0.0)  40 CA(0.9)    0.0
                         (B)   78 O   28 CA(0.2)  40 CA(0.8)    0.0
  136    269.4481  (B1U)
                         (S)   67 O   21 CA(0.6)  29 CA(0.4)    0.0
                         (S)   21 CA  83 O (0.6)  39 CA(0.4)    0.0
                         (S)   68 O   22 CA(0.6)  30 CA(0.4)    0.0
                         (S)   84 O   22 CA(0.6)  40 CA(0.4)    0.0
                         (S)   65 O   23 CA(0.6)  37 CA(0.4)    0.0
                         (S)   23 CA  81 O (0.6)  37 CA(0.4)    0.0
                         (S)   66 O   24 CA(0.6)  32 CA(0.4)    0.0
                         (S)   24 CA  82 O (0.6)  38 CA(0.4)    0.0
                         (S)   63 O   25 CA(0.6)  35 CA(0.4)    0.0
                         (S)   79 O   25 CA(0.6)  35 CA(0.4)    0.0
                         (S)   64 O   26 CA(0.6)  30 CA(0.4)    0.0
                         (S)   80 O   26 CA(0.6)  36 CA(0.4)    0.0
                         (S)   61 O   27 CA(0.6)  31 CA(0.4)    0.0
                         (S)   27 CA  77 O (0.6)  33 CA(0.4)    0.0
                         (S)   62 O   28 CA(0.6)  32 CA(0.4)    0.0
                         (S)   28 CA  78 O (0.6)  34 CA(0.4)    0.0
  137    270.1739  (B2U)
                         (S)  107 O   41 CA(0.5) 123 O (0.5)    0.0
                         (S)  108 O   42 CA(0.5) 124 O (0.5)    0.0
                         (S)  105 O   43 CA(0.5) 121 O (0.5)    0.0
                         (S)  106 O   44 CA(0.5) 122 O (0.5)    0.0
                         (S)  103 O   45 CA(0.5) 119 O (0.5)    0.0
                         (S)  104 O   46 CA(0.5) 120 O (0.5)    0.0
                         (S)  101 O   47 CA(0.5) 117 O (0.5)    0.0
                         (S)  102 O   48 CA(0.5) 118 O (0.5)    0.0
  138    270.4445  (AG )
                         (S)   91 O   41 CA(0.8) 123 O (0.2)    0.0
                         (S)   92 O   42 CA(0.8) 124 O (0.2)    0.0
                         (S)   89 O   43 CA(0.8) 121 O (0.2)    0.0
                         (S)   90 O   44 CA(0.8) 122 O (0.2)    0.0
                         (S)   87 O   45 CA(0.8) 119 O (0.2)    0.0
                         (S)   88 O   46 CA(0.8) 120 O (0.2)    0.0
                         (S)   85 O   47 CA(0.8) 117 O (0.2)    0.0
                         (S)   86 O   48 CA(0.8) 118 O (0.2)    0.0
  139    271.5353  (B3U)
                         (S)   21 CA  67 O (0.7)  39 CA(0.3)    0.0
                         (S)   83 O   21 CA(0.5)  29 CA(0.4)    0.0
                         (S)   22 CA  68 O (0.7)  40 CA(0.3)    0.0
                         (S)   84 O   22 CA(0.5)  30 CA(0.4)    0.0
                         (S)   65 O   23 CA(0.7)  37 CA(0.3)    0.0
                         (S)   81 O   23 CA(0.5)  65 O (0.4)    0.0
                         (S)   66 O   24 CA(0.7)  38 CA(0.3)    0.0
                         (S)   82 O   24 CA(0.5)  32 CA(0.4)    0.0
                         (S)   63 O   25 CA(0.7)  35 CA(0.3)    0.0
                         (S)   79 O   25 CA(0.5)  63 O (0.4)    0.0
                         (S)   64 O   26 CA(0.7)  36 CA(0.3)    0.0
                         (S)   80 O   26 CA(0.5)  30 CA(0.4)    0.0
                         (S)   27 CA  61 O (0.7)  33 CA(0.3)    0.0
                         (S)   77 O   27 CA(0.5)  31 CA(0.4)    0.0
                         (S)   62 O   28 CA(0.7)  34 CA(0.3)    0.0
                         (S)   78 O   28 CA(0.5)  32 CA(0.4)    0.0
  140    273.6093  (B1U)
                         (B)   29 CA  53 O (0.0)  33 CA(0.9)    0.0
                         (B)   54 O   30 CA(0.0)  34 CA(0.9)    0.0
                         (B)   58 O   30 CA(0.0)  34 CA(0.9)    0.0
                         (B)   31 CA  59 O (0.0)  39 CA(0.9)    0.0
                         (B)   32 CA  56 O (0.0)  36 CA(0.9)    0.0
                         (B)   60 O   32 CA(0.0)  36 CA(0.9)    0.0
  141    274.2374  (B1G)
                         (S)    1 SI  27 CA(0.8)  91 O (0.2)    0.0
                         (S)    2 SI  28 CA(0.8)  92 O (0.2)    0.0
                         (S)    3 SI  25 CA(0.8)  89 O (0.2)    0.0
                         (S)    4 SI  26 CA(0.8)  90 O (0.2)    0.0
                         (S)    5 SI  23 CA(0.8)  87 O (0.2)    0.0
                         (S)    6 SI  24 CA(0.8)  88 O (0.2)    0.0
                         (S)    7 SI  21 CA(0.8)  85 O (0.2)    0.0
                         (S)    8 SI  22 CA(0.8)  86 O (0.2)    0.0
                         (B)   67 O   21 CA(0.4)  85 O (0.5)    0.0
                         (B)   83 O   21 CA(0.0)   7 SI(0.9)    0.0
                         (B)   68 O   22 CA(0.4)  86 O (0.5)    0.0
                         (B)   84 O   22 CA(0.0)   8 SI(0.9)    0.0
                         (B)   65 O   23 CA(0.4)  87 O (0.5)    0.0
                         (B)   81 O   23 CA(0.0)   5 SI(0.9)    0.0
                         (B)   66 O   24 CA(0.4)  88 O (0.5)    0.0
                         (B)   82 O   24 CA(0.0)   6 SI(0.9)    0.0
                         (B)   63 O   25 CA(0.4)  89 O (0.5)    0.0
                         (B)   79 O   25 CA(0.0)   3 SI(0.9)    0.0
                         (B)   64 O   26 CA(0.4)  90 O (0.5)    0.0
                         (B)   80 O   26 CA(0.0)   4 SI(0.9)    0.0
                         (B)   61 O   27 CA(0.4)  91 O (0.5)    0.0
                         (B)   77 O   27 CA(0.0)   1 SI(0.9)    0.0
                         (B)   62 O   28 CA(0.4)  92 O (0.5)    0.0
                         (B)   78 O   28 CA(0.0)   2 SI(0.9)    0.0
                         (B)   61 O   33 CA(0.0)  41 CA(0.9)    0.0
                         (B)   77 O   33 CA(0.4)  29 CA(0.6)    0.0
                         (B)   62 O   34 CA(0.0)  42 CA(0.9)    0.0
                         (B)   78 O   34 CA(0.4)  30 CA(0.6)    0.0
                         (B)   63 O   35 CA(0.0)  43 CA(0.9)    0.0
                         (B)   79 O   35 CA(0.4)  43 CA(0.6)    0.0
                         (B)   64 O   36 CA(0.0)  44 CA(0.9)    0.0
                         (B)   80 O   36 CA(0.4)  32 CA(0.6)    0.0
                         (B)   65 O   37 CA(0.0)  45 CA(0.9)    0.0
                         (B)   81 O   37 CA(0.4)  45 CA(0.6)    0.0
                         (B)   66 O   38 CA(0.0)  46 CA(0.9)    0.0
                         (B)   38 CA  82 O (0.4)  30 CA(0.6)    0.0
                         (B)   67 O   39 CA(0.0)  47 CA(0.9)    0.0
                         (B)   83 O   39 CA(0.4)  31 CA(0.6)    0.0
                         (B)   68 O   40 CA(0.0)  48 CA(0.9)    0.0
                         (B)   84 O   40 CA(0.4)  32 CA(0.6)    0.0
                         (B)   41 CA  61 O (0.0)   1 SI(1.0)    0.0
                         (B)   42 CA  62 O (0.0)   2 SI(1.0)    0.0
                         (B)   43 CA  63 O (0.0)   3 SI(1.0)    0.0
                         (B)   44 CA  64 O (0.0)   4 SI(1.0)    0.0
                         (B)   45 CA  65 O (0.0)   5 SI(1.0)    0.0
                         (B)   46 CA  66 O (0.0)   6 SI(1.0)    0.0
                         (B)   47 CA  67 O (0.0)   7 SI(1.0)    0.0
                         (B)   48 CA  68 O (0.0)   8 SI(1.0)    0.0
  142    275.1178  (B2U)
                         (B)   29 CA  53 O (0.2)  33 CA(0.7)    0.0
                         (B)   54 O   30 CA(0.2)  34 CA(0.7)    0.0
                         (B)   58 O   30 CA(0.2)  34 CA(0.7)    0.0
                         (B)   31 CA  59 O (0.2)  39 CA(0.7)    0.0
                         (B)   32 CA  56 O (0.2)  36 CA(0.7)    0.0
                         (B)   32 CA  60 O (0.2)  40 CA(0.7)    0.0
                         (S)   53 O   33 CA(1.0)                0.0
                         (S)   54 O   34 CA(1.0)                0.0
                         (S)   55 O   35 CA(1.0)                0.0
                         (S)   56 O   36 CA(1.0)                0.0
                         (S)   57 O   37 CA(1.0)                0.0
                         (S)   58 O   38 CA(1.0)                0.0
                         (S)   59 O   39 CA(1.0)                0.0
                         (S)   60 O   40 CA(1.0)                0.0
  143    275.2436  (B3G)
                         (B)   75 O   21 CA(0.4)  33 CA(0.6)    0.0
                         (B)   76 O   22 CA(0.4)  34 CA(0.6)    0.0
                         (B)   73 O   23 CA(0.4)  35 CA(0.6)    0.0
                         (B)   74 O   24 CA(0.4)  36 CA(0.6)    0.0
                         (B)   71 O   25 CA(0.4)  37 CA(0.6)    0.0
                         (B)   72 O   26 CA(0.4)  38 CA(0.6)    0.0
                         (B)   69 O   27 CA(0.4)  39 CA(0.6)    0.0
                         (B)   70 O   28 CA(0.4)  40 CA(0.6)    0.0
  144    275.2454  (AU )
                         (S)   67 O   21 CA(0.8)  31 CA(0.2)    0.0
                         (S)   68 O   22 CA(0.8)  32 CA(0.2)    0.0
                         (S)   23 CA  65 O (0.8)  45 CA(0.2)    0.0
                         (S)   66 O   24 CA(0.8)  30 CA(0.2)    0.0
                         (S)   25 CA  63 O (0.8)  43 CA(0.2)    0.0
                         (S)   64 O   26 CA(0.8)  32 CA(0.2)    0.0
                         (S)   61 O   27 CA(0.8)  29 CA(0.2)    0.0
                         (S)   62 O   28 CA(0.8)  30 CA(0.2)    0.0
  145    277.9749  (B1U)
                         (B)   85 O   21 CA(0.5)  67 O (0.5)    0.0
                         (B)   86 O   22 CA(0.5)  74 O (0.5)    0.0
                         (B)   87 O   23 CA(0.5)  65 O (0.5)    0.0
                         (B)   88 O   24 CA(0.5)  76 O (0.5)    0.0
                         (B)   89 O   25 CA(0.5)  63 O (0.5)    0.0
                         (B)   90 O   26 CA(0.5)  70 O (0.5)    0.0
                         (B)   91 O   27 CA(0.5)  61 O (0.5)    0.0
                         (B)   92 O   28 CA(0.5)  72 O (0.5)    0.0
                         (S)   85 O   33 CA(1.0)                0.0
                         (B)  109 O   33 CA(0.1)  29 CA(0.9)    0.0
                         (S)   86 O   34 CA(1.0)                0.0
                         (B)  110 O   34 CA(0.1)  30 CA(0.9)    0.0
                         (S)   87 O   35 CA(1.0)                0.0
                         (B)  111 O   35 CA(0.1)  23 CA(0.9)    0.0
                         (S)   88 O   36 CA(1.0)                0.0
                         (B)  112 O   36 CA(0.1)  32 CA(0.9)    0.0
                         (S)   89 O   37 CA(1.0)                0.0
                         (B)  113 O   37 CA(0.1)  25 CA(0.9)    0.0
                         (S)   90 O   38 CA(1.0)                0.0
                         (B)  114 O   38 CA(0.1)  30 CA(0.9)    0.0
                         (S)   91 O   39 CA(1.0)                0.0
                         (B)  115 O   39 CA(0.1)  31 CA(0.9)    0.0
                         (S)   92 O   40 CA(1.0)                0.0
                         (B)  116 O   40 CA(0.1)  32 CA(0.9)    0.0
                         (B)   41 CA 115 O (0.4)  52 CA(0.6)    0.0
                         (B)  116 O   42 CA(0.4)  51 CA(0.6)    0.0
                         (B)  113 O   43 CA(0.4)  51 CA(0.6)    0.0
                         (B)  114 O   44 CA(0.4)  52 CA(0.6)    0.0
                         (B)  111 O   45 CA(0.4)  50 CA(0.6)    0.0
                         (B)  112 O   46 CA(0.4)  49 CA(0.6)    0.0
                         (B)  109 O   47 CA(0.4)  49 CA(0.6)    0.0
                         (B)  110 O   48 CA(0.4)  50 CA(0.6)    0.0
                         (B)   93 O   49 CA(0.0)  33 CA(1.0)    0.0
                         (B)   96 O   49 CA(0.0)  36 CA(1.0)    0.0
                         (B)   94 O   50 CA(0.0)  34 CA(1.0)    0.0
                         (B)   50 CA  95 O (0.0)  35 CA(1.0)    0.0
                         (B)   97 O   51 CA(0.0)  37 CA(1.0)    0.0
                         (B)   51 CA 100 O (0.0)  40 CA(1.0)    0.0
                         (B)   98 O   52 CA(0.0)  38 CA(1.0)    0.0
                         (B)   99 O   52 CA(0.0)  39 CA(1.0)    0.0
  146    278.4554  (B2G)
                         (S)  107 O   41 CA(0.9)                0.0
                         (S)  108 O   42 CA(0.9)                0.0
                         (S)  105 O   43 CA(0.9)                0.0
                         (S)  106 O   44 CA(0.9)                0.0
                         (S)  103 O   45 CA(0.9)                0.0
                         (S)  104 O   46 CA(0.9)                0.0
                         (S)  101 O   47 CA(0.9)                0.0
                         (S)  102 O   48 CA(0.9)                0.0
  147    279.6911  (B3U)
                         (B)   29 CA  53 O (0.0)  33 CA(1.0)    0.0
                         (B)   54 O   30 CA(0.0)  34 CA(1.0)    0.0
                         (B)   58 O   30 CA(0.0)  34 CA(1.0)    0.0
                         (B)   31 CA  59 O (0.0)  39 CA(1.0)    0.0
                         (B)   56 O   32 CA(0.0)  36 CA(1.0)    0.0
                         (B)   32 CA  60 O (0.0)  40 CA(1.0)    0.0
  148    280.2386  (AU )
                         (S)   29 CA  69 O (0.7)  27 CA(0.3)    0.0
                         (S)   70 O   30 CA(0.7)  24 CA(0.3)    0.0
                         (S)   74 O   30 CA(0.7)  28 CA(0.3)    0.0
                         (S)   31 CA  75 O (0.7)  21 CA(0.3)    0.0
                         (S)   72 O   32 CA(0.7)  26 CA(0.3)    0.0
                         (S)   32 CA  76 O (0.7)  22 CA(0.3)    0.0
  149    281.6437  (B2G)
                         (B)    1 SI  33 CA(0.0)  49 CA(1.0)    0.0
                         (B)    2 SI  34 CA(0.0)  50 CA(1.0)    0.0
                         (B)    3 SI  35 CA(0.0)  50 CA(1.0)    0.0
                         (B)    4 SI  36 CA(0.0)  49 CA(1.0)    0.0
                         (B)    5 SI  37 CA(0.0)  51 CA(1.0)    0.0
                         (B)    6 SI  38 CA(0.0)  52 CA(1.0)    0.0
                         (B)    7 SI  39 CA(0.0)  52 CA(1.0)    0.0
                         (B)    8 SI  40 CA(0.0)  51 CA(1.0)    0.0
                         (S)   77 O   33 CA(0.9)                0.0
                         (B)   93 O   33 CA(0.3)  49 CA(0.7)    0.0
                         (S)   78 O   34 CA(0.9)                0.0
                         (B)   34 CA  94 O (0.3)  50 CA(0.7)    0.0
                         (S)   79 O   35 CA(0.9)                0.0
                         (B)   35 CA  95 O (0.3)  50 CA(0.7)    0.0
                         (S)   80 O   36 CA(0.9)                0.0
                         (B)   96 O   36 CA(0.3)  49 CA(0.7)    0.0
                         (S)   81 O   37 CA(0.9)                0.0
                         (B)   97 O   37 CA(0.3)  51 CA(0.7)    0.0
                         (S)   82 O   38 CA(0.9)                0.0
                         (B)   38 CA  98 O (0.3)  52 CA(0.7)    0.0
                         (S)   83 O   39 CA(0.9)                0.0
                         (B)   99 O   39 CA(0.3)  52 CA(0.7)    0.0
                         (S)   84 O   40 CA(0.9)                0.0
                         (B)  100 O   40 CA(0.3)  51 CA(0.7)    0.0
  150    282.4814  (B3U)
                         (S)   91 O   41 CA(0.8)  93 O (0.2)    0.0
                         (S)   92 O   42 CA(0.8)  94 O (0.2)    0.0
                         (S)   89 O   43 CA(0.8)  95 O (0.2)    0.0
                         (S)   90 O   44 CA(0.8)  96 O (0.2)    0.0
                         (S)   87 O   45 CA(0.8)  97 O (0.2)    0.0
                         (S)   88 O   46 CA(0.8)  98 O (0.2)    0.0
                         (S)   85 O   47 CA(0.8)  99 O (0.2)    0.0
                         (S)   86 O   48 CA(0.8) 100 O (0.2)    0.0
  151    282.9221  (B3G)
                         (S)   21 CA  83 O (0.7)   7 SI(0.3)    0.0
                         (S)   22 CA  84 O (0.7)   8 SI(0.3)    0.0
                         (S)   23 CA  81 O (0.7)   5 SI(0.3)    0.0
                         (S)   24 CA  82 O (0.7)   6 SI(0.3)    0.0
                         (S)   25 CA  79 O (0.7)   3 SI(0.3)    0.0
                         (S)   26 CA  80 O (0.7)   4 SI(0.3)    0.0
                         (S)   27 CA  77 O (0.7)   1 SI(0.3)    0.0
                         (S)   28 CA  78 O (0.7)   2 SI(0.3)    0.0
                         (B)   33 CA  77 O (0.3)  27 CA(0.7)    0.0
                         (B)   34 CA  78 O (0.3)  28 CA(0.7)    0.0
                         (B)   79 O   35 CA(0.3)  25 CA(0.7)    0.0
                         (B)   80 O   36 CA(0.3)  26 CA(0.7)    0.0
                         (B)   37 CA  81 O (0.3)  23 CA(0.7)    0.0
                         (B)   38 CA  82 O (0.3)  24 CA(0.7)    0.0
                         (B)   39 CA  83 O (0.3)  21 CA(0.7)    0.0
                         (B)   84 O   40 CA(0.3)  22 CA(0.7)    0.0
  152    284.2645  (B2G)
                         (B)   41 CA 115 O (0.5)  15 SI(0.5)    0.0
                         (B)   42 CA 116 O (0.5)  16 SI(0.5)   -0.1
                         (B)   43 CA 113 O (0.5)  13 SI(0.5)    0.0
                         (B)   44 CA 114 O (0.5)  14 SI(0.5)    0.0
                         (B)   45 CA 111 O (0.5)  11 SI(0.5)    0.0
                         (B)   46 CA 112 O (0.5)  12 SI(0.5)    0.0
                         (B)   47 CA 109 O (0.5)   9 SI(0.5)    0.0
                         (B)   48 CA 110 O (0.5)  10 SI(0.5)    0.0
  153    284.6559  (B2U)
                         (B)   29 CA  69 O (0.4)  27 CA(0.5)    0.0
                         (B)   70 O   30 CA(0.4)  24 CA(0.5)    0.0
                         (B)   74 O   30 CA(0.4)  28 CA(0.5)    0.0
                         (B)   31 CA  75 O (0.4)  21 CA(0.5)    0.0
                         (B)   72 O   32 CA(0.4)  26 CA(0.5)    0.0
                         (B)   32 CA  76 O (0.4)  22 CA(0.5)    0.0
  154    286.7923  (AG )
                         (B)   93 O   33 CA(0.3)  49 CA(0.7)    0.0
                         (B)   34 CA  94 O (0.3)  50 CA(0.7)    0.0
                         (B)   35 CA  95 O (0.3)  50 CA(0.7)    0.0
                         (B)   96 O   36 CA(0.3)  49 CA(0.7)    0.0
                         (B)   97 O   37 CA(0.3)  51 CA(0.7)    0.0
                         (B)   38 CA  98 O (0.3)  52 CA(0.7)    0.0
                         (B)   99 O   39 CA(0.3)  52 CA(0.7)    0.0
                         (B)  100 O   40 CA(0.3)  51 CA(0.7)    0.0
  155    288.6802  (B1U)
                         (B)   29 CA  53 O (0.0)  33 CA(0.9)    0.0
                         (B)   54 O   30 CA(0.0)  34 CA(0.9)    0.0
                         (B)   58 O   30 CA(0.0)  34 CA(0.9)    0.0
                         (B)   31 CA  59 O (0.0)  39 CA(0.9)    0.0
                         (B)   56 O   32 CA(0.0)  36 CA(0.9)    0.0
                         (B)   32 CA  60 O (0.0)  40 CA(0.9)    0.0
                         (S)  107 O   41 CA(0.6)  91 O (0.4)    0.0
                         (S)  108 O   42 CA(0.6)  92 O (0.4)    0.0
                         (S)  105 O   43 CA(0.6)  89 O (0.4)    0.0
                         (S)  106 O   44 CA(0.6)  90 O (0.4)    0.0
                         (S)  103 O   45 CA(0.6)  87 O (0.4)    0.0
                         (S)  104 O   46 CA(0.6)  88 O (0.4)    0.0
                         (S)  101 O   47 CA(0.6)  85 O (0.4)    0.0
                         (S)  102 O   48 CA(0.6)  86 O (0.4)    0.0
  156    289.3361  (AU )
                         (B)   69 O   29 CA(0.0)  77 O (1.0)    0.0
                         (B)   70 O   30 CA(0.0)  78 O (1.0)    0.0
                         (B)   74 O   30 CA(0.0)  82 O (1.0)    0.0
                         (B)   75 O   31 CA(0.0)  83 O (1.0)    0.0
                         (B)   72 O   32 CA(0.0)  84 O (1.0)    0.0
                         (B)   76 O   32 CA(0.0)  84 O (1.0)    0.0
                         (S)  115 O   41 CA(0.9)                0.0
                         (S)  116 O   42 CA(0.9)                0.0
                         (S)  113 O   43 CA(0.9)                0.0
                         (S)  114 O   44 CA(0.9)                0.0
                         (S)  111 O   45 CA(0.9)                0.0
                         (S)  112 O   46 CA(0.9)                0.0
                         (S)  109 O   47 CA(0.9)                0.0
                         (S)  110 O   48 CA(0.9)                0.0
  157    290.1989  (B1G)
                         (S)   21 CA  83 O (0.7)   7 SI(0.3)    0.0
                         (S)   22 CA  84 O (0.7)   8 SI(0.3)    0.0
                         (S)   23 CA  81 O (0.7)   5 SI(0.3)    0.0
                         (S)   24 CA  82 O (0.7)   6 SI(0.3)    0.0
                         (S)   25 CA  79 O (0.7)   3 SI(0.3)    0.0
                         (S)   26 CA  80 O (0.7)   4 SI(0.3)    0.0
                         (S)   27 CA  77 O (0.7)   1 SI(0.3)    0.0
                         (S)   28 CA  78 O (0.7)   2 SI(0.3)    0.0
  158    293.5089  (B3G)
                         (B)   83 O   21 CA(0.4)  85 O (0.6)    0.0
                         (B)   84 O   22 CA(0.4)  86 O (0.6)    0.0
                         (B)   81 O   23 CA(0.4)  87 O (0.6)    0.0
                         (B)   82 O   24 CA(0.4)  88 O (0.6)    0.0
                         (B)   79 O   25 CA(0.4)  89 O (0.6)    0.0
                         (B)   80 O   26 CA(0.4)  90 O (0.6)    0.0
                         (B)   77 O   27 CA(0.4)  91 O (0.6)    0.0
                         (B)   78 O   28 CA(0.4)  92 O (0.6)    0.0
                         (S)   91 O   41 CA(0.8) 107 O (0.2)    0.0
                         (S)   92 O   42 CA(0.8) 108 O (0.2)    0.0
                         (S)   89 O   43 CA(0.8) 105 O (0.2)    0.0
                         (S)   90 O   44 CA(0.8) 106 O (0.2)    0.0
                         (S)   87 O   45 CA(0.8) 103 O (0.2)    0.0
                         (S)   88 O   46 CA(0.8) 104 O (0.2)    0.0
                         (S)   85 O   47 CA(0.8) 101 O (0.2)    0.0
                         (S)   86 O   48 CA(0.8) 102 O (0.2)    0.0
  159    296.9075  (B2U)
                         (B)   74 O   22 CA(0.0)  32 CA(1.0)    0.0
                         (B)   76 O   24 CA(0.0)  30 CA(1.0)    0.0
                         (B)   70 O   26 CA(0.0)  32 CA(1.0)    0.0
                         (B)   72 O   28 CA(0.0)  30 CA(1.0)    0.0
                         (B)   69 O   29 CA(0.3)  27 CA(0.6)    0.0
                         (B)   70 O   30 CA(0.3)  24 CA(0.6)    0.0
                         (B)   74 O   30 CA(0.3)  24 CA(0.6)    0.0
                         (B)   75 O   31 CA(0.3)  21 CA(0.6)    0.0
                         (B)   72 O   32 CA(0.3)  22 CA(0.6)    0.0
                         (B)   76 O   32 CA(0.3)  22 CA(0.6)    0.0
                         (B)   77 O   33 CA(0.4)  61 O (0.6)    0.0
                         (B)   78 O   34 CA(0.4)  62 O (0.6)    0.0
                         (B)   79 O   35 CA(0.4)  63 O (0.6)    0.0
                         (B)   80 O   36 CA(0.4)  64 O (0.6)    0.0
                         (B)   81 O   37 CA(0.4)  65 O (0.6)    0.0
                         (B)   82 O   38 CA(0.4)  66 O (0.6)    0.0
                         (B)   83 O   39 CA(0.4)  67 O (0.6)    0.0
                         (B)   84 O   40 CA(0.4)  68 O (0.6)    0.0
                         (S)  115 O   41 CA(0.9)                0.0
                         (S)  116 O   42 CA(0.9)                0.0
                         (S)  113 O   43 CA(0.9)                0.0
                         (S)  114 O   44 CA(0.9)                0.0
                         (S)  111 O   45 CA(0.9)                0.0
                         (S)  112 O   46 CA(0.9)                0.0
                         (S)  109 O   47 CA(0.9)                0.0
                         (S)  110 O   48 CA(0.9)                0.0
  160    299.2190  (AU )
                         (S)   85 O   21 CA(0.5)  39 CA(0.5)    0.0
                         (S)   86 O   22 CA(0.5)  40 CA(0.5)    0.0
                         (S)   87 O   23 CA(0.5)  37 CA(0.5)    0.0
                         (S)   88 O   24 CA(0.5)  38 CA(0.5)    0.0
                         (S)   89 O   25 CA(0.5)  35 CA(0.5)    0.0
                         (S)   90 O   26 CA(0.5)  36 CA(0.5)    0.0
                         (S)   91 O   27 CA(0.5)  33 CA(0.5)    0.0
                         (S)   92 O   28 CA(0.5)  34 CA(0.5)    0.0
                         (B)   33 CA  85 O (0.1)  47 CA(0.9)    0.0
                         (B)   34 CA  86 O (0.1)  48 CA(0.9)    0.0
                         (B)   35 CA  87 O (0.1)  45 CA(0.9)    0.0
                         (B)   36 CA  88 O (0.1)  46 CA(0.9)    0.0
                         (B)   37 CA  89 O (0.1)  43 CA(0.9)    0.0
                         (B)   38 CA  90 O (0.1)  44 CA(0.9)    0.0
                         (B)   39 CA  91 O (0.1)  41 CA(0.9)    0.0
                         (B)   40 CA  92 O (0.1)  42 CA(0.9)    0.0
                         (S)   91 O   41 CA(0.8)  61 O (0.2)    0.0
                         (S)   92 O   42 CA(0.8)  62 O (0.2)    0.0
                         (S)   89 O   43 CA(0.8)  63 O (0.2)    0.0
                         (S)   90 O   44 CA(0.8)  64 O (0.2)    0.0
                         (S)   87 O   45 CA(0.8)  65 O (0.2)    0.0
                         (S)   88 O   46 CA(0.8)  66 O (0.2)    0.0
                         (S)   85 O   47 CA(0.8)  67 O (0.2)    0.0
                         (S)   86 O   48 CA(0.8)  68 O (0.2)    0.0
  161    300.4930  (AG )
                         (S)   53 O   21 CA(0.9)                0.0
                         (S)   67 O   21 CA(0.6)  53 O (0.4)    0.0
                         (B)   85 O   21 CA(0.3)  39 CA(0.7)    0.0
                         (S)   54 O   22 CA(0.9)                0.0
                         (S)   68 O   22 CA(0.6)  54 O (0.4)    0.0
                         (B)   86 O   22 CA(0.3)  40 CA(0.7)    0.0
                         (S)   55 O   23 CA(0.9)                0.0
                         (S)   65 O   23 CA(0.6)  55 O (0.4)    0.0
                         (B)   87 O   23 CA(0.3)  37 CA(0.7)    0.0
                         (S)   56 O   24 CA(0.9)                0.0
                         (S)   66 O   24 CA(0.6)  56 O (0.4)    0.0
                         (B)   88 O   24 CA(0.3)  38 CA(0.7)    0.0
                         (S)   57 O   25 CA(0.9)                0.0
                         (S)   63 O   25 CA(0.6)  57 O (0.4)    0.0
                         (B)   89 O   25 CA(0.3)  35 CA(0.7)    0.0
                         (S)   58 O   26 CA(0.9)                0.0
                         (S)   64 O   26 CA(0.6)  58 O (0.4)    0.0
                         (B)   90 O   26 CA(0.3)  36 CA(0.7)    0.0
                         (S)   59 O   27 CA(0.9)                0.0
                         (S)   61 O   27 CA(0.6)  59 O (0.4)    0.0
                         (B)   91 O   27 CA(0.3)  33 CA(0.7)    0.0
                         (S)   60 O   28 CA(0.9)                0.0
                         (S)   62 O   28 CA(0.6)  60 O (0.4)    0.0
                         (B)   92 O   28 CA(0.3)  34 CA(0.7)    0.0
                         (B)   77 O   33 CA(0.1)  61 O (0.8)    0.0
                         (B)   78 O   34 CA(0.1)  62 O (0.8)    0.0
                         (B)   79 O   35 CA(0.1)  63 O (0.8)    0.0
                         (B)   80 O   36 CA(0.1)  64 O (0.8)    0.0
                         (B)   81 O   37 CA(0.1)  65 O (0.8)    0.0
                         (B)   82 O   38 CA(0.1)  66 O (0.8)    0.0
                         (B)   83 O   39 CA(0.1)  67 O (0.8)    0.0
                         (B)   84 O   40 CA(0.1)  68 O (0.8)    0.0
  162    302.0339  (B3G)
                         (B)   85 O   21 CA(0.1)  31 CA(0.9)    0.0
                         (B)   86 O   22 CA(0.1)  32 CA(0.9)    0.0
                         (B)   87 O   23 CA(0.1)  37 CA(0.8)    0.0
                         (B)   88 O   24 CA(0.1)  30 CA(0.9)    0.0
                         (B)   89 O   25 CA(0.1)  35 CA(0.8)    0.0
                         (B)   90 O   26 CA(0.1)  32 CA(0.9)    0.0
                         (B)   91 O   27 CA(0.1)  29 CA(0.9)    0.0
                         (B)   92 O   28 CA(0.1)  30 CA(0.9)    0.0
                         (B)   33 CA  85 O (0.1)  47 CA(0.9)    0.0
                         (B)   86 O   34 CA(0.1)  48 CA(0.9)    0.0
                         (B)   35 CA  87 O (0.1)  45 CA(0.9)    0.0
                         (B)   36 CA  88 O (0.1)  46 CA(0.9)    0.0
                         (B)   37 CA  89 O (0.1)  43 CA(0.9)    0.0
                         (B)   38 CA  90 O (0.1)  44 CA(0.9)    0.0
                         (B)   39 CA  91 O (0.1)  41 CA(0.9)    0.0
                         (B)   40 CA  92 O (0.1)  42 CA(0.9)    0.0
  163    302.0675  (B1G)
                         (S)  115 O   41 CA(1.0)                0.0
                         (S)  116 O   42 CA(1.0)                0.0
                         (S)  113 O   43 CA(1.0)                0.0
                         (S)  114 O   44 CA(1.0)                0.0
                         (S)  111 O   45 CA(1.0)                0.0
                         (S)  112 O   46 CA(1.0)                0.0
                         (S)  109 O   47 CA(1.0)                0.0
                         (S)  110 O   48 CA(1.0)                0.0
                         (B)   93 O   49 CA(0.0)  33 CA(1.0)    0.0
                         (B)   96 O   49 CA(0.0)  36 CA(1.0)    0.0
                         (B)   94 O   50 CA(0.0)  34 CA(1.0)    0.0
                         (B)   50 CA  95 O (0.0)  35 CA(1.0)    0.0
                         (B)   97 O   51 CA(0.0)  37 CA(1.0)    0.0
                         (B)   51 CA 100 O (0.0)  40 CA(1.0)    0.0
                         (B)   98 O   52 CA(0.0)  38 CA(1.0)    0.0
                         (B)   99 O   52 CA(0.0)  39 CA(1.0)    0.0
  164    302.9550  (B3U)
                         (B)  109 O    9 SI(0.0)  85 O (1.0)    0.0
                         (B)  110 O   10 SI(0.0)  86 O (1.0)    0.0
                         (B)  111 O   11 SI(0.0)  87 O (1.0)    0.0
                         (B)  112 O   12 SI(0.0)  88 O (1.0)    0.0
                         (B)  113 O   13 SI(0.0)  89 O (1.0)    0.0
                         (B)  114 O   14 SI(0.0)  90 O (1.0)    0.0
                         (B)  115 O   15 SI(0.0)  91 O (1.0)    0.0
                         (B)  116 O   16 SI(0.0)  92 O (1.0)    0.0
                         (S)   85 O   21 CA(0.7)  31 CA(0.3)    0.0
                         (S)   86 O   22 CA(0.7)  32 CA(0.3)    0.0
                         (S)   23 CA  87 O (0.7)  45 CA(0.3)    0.0
                         (S)   88 O   24 CA(0.7)  30 CA(0.3)    0.0
                         (S)   25 CA  89 O (0.7)  43 CA(0.3)    0.0
                         (S)   90 O   26 CA(0.7)  32 CA(0.3)    0.0
                         (S)   91 O   27 CA(0.7)  29 CA(0.3)    0.0
                         (S)   92 O   28 CA(0.7)  30 CA(0.3)    0.0
                         (S)   91 O   41 CA(0.8) 123 O (0.2)    0.0
                         (S)   92 O   42 CA(0.8) 124 O (0.2)    0.0
                         (S)   89 O   43 CA(0.8) 121 O (0.2)    0.0
                         (S)   90 O   44 CA(0.8) 122 O (0.2)    0.0
                         (S)   87 O   45 CA(0.8) 119 O (0.2)    0.0
                         (S)   88 O   46 CA(0.8) 120 O (0.2)    0.0
                         (S)   85 O   47 CA(0.8) 117 O (0.2)    0.0
                         (S)   86 O   48 CA(0.8) 118 O (0.2)    0.0
                         (S)  101 O   49 CA(0.6)  47 CA(0.4)    0.0
                         (S)   49 CA 104 O (0.6)  46 CA(0.4)    0.0
                         (S)  102 O   50 CA(0.6)  48 CA(0.4)    0.0
                         (S)  103 O   50 CA(0.6)  45 CA(0.4)    0.0
                         (S)  105 O   51 CA(0.6)  43 CA(0.4)    0.0
                         (S)  108 O   51 CA(0.6)  42 CA(0.4)    0.0
                         (S)  106 O   52 CA(0.6)  44 CA(0.4)    0.0
                         (S)   52 CA 107 O (0.6)  41 CA(0.4)    0.0
  165    304.2895  (B1G)
                         (B)   77 O    1 SI(0.0)  53 O (1.0)    0.0
                         (B)   78 O    2 SI(0.0)  54 O (1.0)    0.0
                         (B)   79 O    3 SI(0.0)  55 O (1.0)    0.0
                         (B)   80 O    4 SI(0.0)  56 O (1.0)    0.0
                         (B)   81 O    5 SI(0.0)  57 O (1.0)    0.0
                         (B)   82 O    6 SI(0.0)  58 O (1.0)    0.0
                         (B)   83 O    7 SI(0.0)  59 O (1.0)    0.0
                         (B)   84 O    8 SI(0.0)  60 O (1.0)    0.0
                         (S)   67 O   21 CA(0.6)  33 CA(0.4)    0.0
                         (S)   68 O   22 CA(0.6)  34 CA(0.4)    0.0
                         (B)   74 O   22 CA(0.3)  30 CA(0.7)    0.0
                         (S)   65 O   23 CA(0.6)  35 CA(0.4)    0.0
                         (S)   66 O   24 CA(0.6)  36 CA(0.4)    0.0
                         (B)   76 O   24 CA(0.3)  32 CA(0.7)    0.0
                         (S)   63 O   25 CA(0.6)  37 CA(0.4)    0.0
                         (S)   64 O   26 CA(0.6)  38 CA(0.4)    0.0
                         (B)   70 O   26 CA(0.3)  30 CA(0.7)    0.0
                         (S)   61 O   27 CA(0.6)  39 CA(0.4)    0.0
                         (S)   62 O   28 CA(0.6)  40 CA(0.4)    0.0
                         (B)   72 O   28 CA(0.3)  32 CA(0.7)    0.0
                         (B)   61 O   41 CA(0.2)  39 CA(0.8)    0.0
                         (B)   62 O   42 CA(0.2)  40 CA(0.8)    0.0
                         (B)   63 O   43 CA(0.2)  37 CA(0.8)    0.0
                         (B)   64 O   44 CA(0.2)  38 CA(0.8)    0.0
                         (B)   65 O   45 CA(0.2)  35 CA(0.8)    0.0
                         (B)   66 O   46 CA(0.2)  36 CA(0.8)    0.0
                         (B)   67 O   47 CA(0.2)  33 CA(0.8)    0.0
                         (B)   68 O   48 CA(0.2)  34 CA(0.8)    0.0
  166    306.6156  (B2G)
                         (B)   77 O    1 SI(0.0)  53 O (1.0)    0.0
                         (B)   78 O    2 SI(0.0)  54 O (1.0)    0.0
                         (B)   79 O    3 SI(0.0)  55 O (1.0)    0.0
                         (B)   80 O    4 SI(0.0)  56 O (1.0)    0.0
                         (B)   81 O    5 SI(0.0)  57 O (1.0)    0.0
                         (B)   82 O    6 SI(0.0)  58 O (1.0)    0.0
                         (B)   83 O    7 SI(0.0)  59 O (1.0)    0.0
                         (B)   84 O    8 SI(0.0)  60 O (1.0)    0.0
                         (B)   67 O   21 CA(0.3)  53 O (0.7)    0.0
                         (B)   68 O   22 CA(0.3)  54 O (0.7)    0.0
                         (B)   65 O   23 CA(0.3)  55 O (0.7)    0.0
                         (B)   66 O   24 CA(0.3)  56 O (0.7)    0.0
                         (B)   63 O   25 CA(0.3)  57 O (0.7)    0.0
                         (B)   64 O   26 CA(0.3)  58 O (0.7)    0.0
                         (B)   61 O   27 CA(0.3)  59 O (0.7)    0.0
                         (B)   62 O   28 CA(0.3)  60 O (0.7)    0.0
  167    306.8651  (B1U)
                         (S)   77 O   29 CA(0.5)  53 O (0.4)    0.0
                         (S)   78 O   30 CA(0.5)  58 O (0.4)    0.0
                         (S)   82 O   30 CA(0.5)  58 O (0.4)    0.0
                         (S)   83 O   31 CA(0.5)  59 O (0.4)    0.0
                         (S)   80 O   32 CA(0.5)  56 O (0.4)    0.0
                         (S)   84 O   32 CA(0.5)  56 O (0.4)    0.0
  168    307.7927  (B2U)
                         (B)   77 O    1 SI(0.0)  27 CA(1.0)    0.0
                         (B)   78 O    2 SI(0.0)  28 CA(1.0)    0.0
                         (B)   79 O    3 SI(0.0)  25 CA(1.0)    0.0
                         (B)   80 O    4 SI(0.0)  26 CA(1.0)    0.0
                         (B)   81 O    5 SI(0.0)  23 CA(1.0)    0.0
                         (B)   82 O    6 SI(0.0)  24 CA(1.0)    0.0
                         (B)   83 O    7 SI(0.0)  21 CA(1.0)    0.0
                         (B)   84 O    8 SI(0.0)  22 CA(1.0)    0.0
                         (S)   83 O   21 CA(0.8)  31 CA(0.2)    0.0
                         (B)   74 O   22 CA(0.0)  40 CA(1.0)    0.0
                         (S)   84 O   22 CA(0.8)  32 CA(0.2)    0.0
                         (S)   81 O   23 CA(0.8)  87 O (0.2)    0.0
                         (B)   76 O   24 CA(0.0)  38 CA(1.0)    0.0
                         (S)   82 O   24 CA(0.8)  30 CA(0.2)    0.0
                         (S)   79 O   25 CA(0.8)  89 O (0.2)    0.0
                         (B)   70 O   26 CA(0.0)  36 CA(1.0)    0.0
                         (S)   26 CA  80 O (0.8)  32 CA(0.2)    0.0
                         (S)   77 O   27 CA(0.8)  29 CA(0.2)    0.0
                         (B)   72 O   28 CA(0.0)  34 CA(1.0)    0.0
                         (S)   28 CA  78 O (0.8)  30 CA(0.2)    0.0
                         (B)   69 O   29 CA(0.1)  21 CA(0.8)    0.0
                         (B)   70 O   30 CA(0.1)  26 CA(0.8)    0.0
                         (B)   74 O   30 CA(0.1)  26 CA(0.8)    0.0
                         (B)   75 O   31 CA(0.1)  27 CA(0.8)    0.0
                         (B)   72 O   32 CA(0.1)  24 CA(0.8)    0.0
                         (B)   76 O   32 CA(0.1)  24 CA(0.8)    0.0
  169    307.9415  (AU )
                         (B)   77 O    1 SI(0.0)  27 CA(1.0)    0.0
                         (B)   78 O    2 SI(0.0)  28 CA(1.0)    0.0
                         (B)   79 O    3 SI(0.0)  25 CA(1.0)    0.0
                         (B)   80 O    4 SI(0.0)  26 CA(1.0)    0.0
                         (B)   81 O    5 SI(0.0)  23 CA(1.0)    0.0
                         (B)   82 O    6 SI(0.0)  24 CA(1.0)    0.0
                         (B)   83 O    7 SI(0.0)  21 CA(1.0)    0.0
                         (B)   84 O    8 SI(0.0)  22 CA(1.0)    0.0
                         (S)   83 O   21 CA(0.9)                0.0
                         (B)   74 O   22 CA(0.0)  40 CA(0.9)    0.0
                         (S)   84 O   22 CA(0.9)                0.0
                         (S)   81 O   23 CA(0.9)                0.0
                         (B)   76 O   24 CA(0.0)  38 CA(0.9)    0.0
                         (S)   82 O   24 CA(0.9)                0.0
                         (S)   79 O   25 CA(0.9)                0.0
                         (B)   70 O   26 CA(0.0)  36 CA(0.9)    0.0
                         (S)   80 O   26 CA(0.9)                0.0
                         (S)   77 O   27 CA(0.9)                0.0
                         (B)   72 O   28 CA(0.0)  34 CA(0.9)    0.0
                         (S)   78 O   28 CA(0.9)                0.0
                         (S)   53 O   29 CA(0.6)  77 O (0.4)    0.0
                         (S)   54 O   30 CA(0.6)  82 O (0.4)    0.0
                         (S)   58 O   30 CA(0.6)  78 O (0.4)    0.0
                         (S)   59 O   31 CA(0.6)  83 O (0.4)    0.0
                         (S)   56 O   32 CA(0.6)  80 O (0.4)    0.0
                         (S)   60 O   32 CA(0.6)  80 O (0.4)    0.0
  170    309.1198  (B3U)
                         (S)   77 O   29 CA(0.6)  53 O (0.4)    0.0
                         (S)   78 O   30 CA(0.6)  58 O (0.4)    0.0
                         (S)   82 O   30 CA(0.6)  58 O (0.4)    0.0
                         (S)   83 O   31 CA(0.6)  59 O (0.4)    0.0
                         (S)   80 O   32 CA(0.6)  56 O (0.4)    0.0
                         (S)   84 O   32 CA(0.6)  56 O (0.4)    0.0
  171    310.0889  (AG )
                         (S)   61 O   33 CA(0.8)  41 CA(0.2)    0.0
                         (S)   34 CA  62 O (0.8)  42 CA(0.2)    0.0
                         (S)   63 O   35 CA(0.8)  43 CA(0.2)    0.0
                         (S)   36 CA  64 O (0.8)  44 CA(0.2)    0.0
                         (S)   65 O   37 CA(0.8)  45 CA(0.2)    0.0
                         (S)   38 CA  66 O (0.8)  46 CA(0.2)    0.0
                         (S)   39 CA  67 O (0.8)  47 CA(0.2)    0.0
                         (S)   68 O   40 CA(0.8)  48 CA(0.2)    0.0
  172    310.2127  (B3G)
                         (S)   67 O   21 CA(0.8)  53 O (0.2)    0.0
                         (S)   68 O   22 CA(0.8)  54 O (0.2)    0.0
                         (B)   74 O   22 CA(0.4)  30 CA(0.5)    0.0
                         (S)   65 O   23 CA(0.8)  55 O (0.2)    0.0
                         (S)   66 O   24 CA(0.8)  56 O (0.2)    0.0
                         (B)   76 O   24 CA(0.4)  32 CA(0.5)    0.0
                         (S)   63 O   25 CA(0.8)  57 O (0.2)    0.0
                         (S)   64 O   26 CA(0.8)  58 O (0.2)    0.0
                         (B)   70 O   26 CA(0.4)  30 CA(0.5)    0.0
                         (S)   61 O   27 CA(0.8)  59 O (0.2)    0.0
                         (S)   62 O   28 CA(0.8)  60 O (0.2)    0.0
                         (B)   72 O   28 CA(0.4)  32 CA(0.5)    0.0
  173    314.4698  (B2U)
                         (S)   77 O   29 CA(0.7)  53 O (0.3)    0.0
                         (S)   78 O   30 CA(0.7)  58 O (0.3)    0.0
                         (S)   82 O   30 CA(0.7)  54 O (0.3)    0.0
                         (S)   83 O   31 CA(0.7)  59 O (0.3)    0.0
                         (S)   80 O   32 CA(0.7)  56 O (0.3)    0.0
                         (S)   84 O   32 CA(0.7)  56 O (0.3)    0.0
  174    316.9912  (AU )
                         (S)   77 O   29 CA(0.8)  53 O (0.2)    0.0
                         (S)   78 O   30 CA(0.8)  54 O (0.2)    0.0
                         (S)   82 O   30 CA(0.8)  58 O (0.2)    0.0
                         (S)   83 O   31 CA(0.8)  59 O (0.2)    0.0
                         (S)   80 O   32 CA(0.8)  56 O (0.2)    0.0
                         (S)   84 O   32 CA(0.8)  56 O (0.2)    0.0
  175    317.7494  (B2G)
                         (B)   83 O   21 CA(0.0)  29 CA(0.9)    0.0
                         (B)   84 O   22 CA(0.0)  30 CA(0.9)    0.0
                         (B)   81 O   23 CA(0.0)  87 O (0.9)    0.0
                         (B)   82 O   24 CA(0.0)  32 CA(0.9)    0.0
                         (B)   79 O   25 CA(0.0)  89 O (0.9)    0.0
                         (B)   80 O   26 CA(0.0)  30 CA(0.9)    0.0
                         (B)   77 O   27 CA(0.0)  31 CA(0.9)    0.0
                         (B)   78 O   28 CA(0.0)  32 CA(0.9)    0.0
                         (B)   77 O   33 CA(0.2)  53 O (0.8)    0.0
                         (B)   78 O   34 CA(0.2)  54 O (0.8)    0.0
                         (B)   79 O   35 CA(0.2)  55 O (0.8)    0.0
                         (B)   80 O   36 CA(0.2)  56 O (0.8)    0.0
                         (B)   81 O   37 CA(0.2)  57 O (0.8)    0.0
                         (B)   82 O   38 CA(0.2)  58 O (0.8)    0.0
                         (B)   83 O   39 CA(0.2)  59 O (0.8)    0.0
                         (B)   84 O   40 CA(0.2)  60 O (0.8)    0.0
                         (S)   41 CA  61 O (0.7)   1 SI(0.3)    0.0
                         (S)   42 CA  62 O (0.7)   2 SI(0.3)    0.0
                         (S)   43 CA  63 O (0.7)   3 SI(0.3)    0.0
                         (S)   44 CA  64 O (0.7)   4 SI(0.3)    0.0
                         (S)   45 CA  65 O (0.7)   5 SI(0.3)    0.0
                         (S)   46 CA  66 O (0.7)   6 SI(0.3)    0.0
                         (S)   47 CA  67 O (0.7)   7 SI(0.3)    0.0
                         (S)   48 CA  68 O (0.7)   8 SI(0.3)    0.0
  176    318.2621  (B2U)
                         (B)   93 O   33 CA(0.5)  77 O (0.5)    0.0
                         (S)  109 O   33 CA(0.5)   9 SI(0.5)    0.0
                         (B)   94 O   34 CA(0.5)  78 O (0.5)    0.0
                         (S)  110 O   34 CA(0.5)  10 SI(0.5)    0.0
                         (B)   95 O   35 CA(0.5)  79 O (0.5)    0.0
                         (S)  111 O   35 CA(0.5)  11 SI(0.5)    0.0
                         (B)   96 O   36 CA(0.5)  80 O (0.5)    0.0
                         (S)  112 O   36 CA(0.5)  12 SI(0.5)    0.0
                         (B)   97 O   37 CA(0.5)  81 O (0.5)    0.0
                         (S)  113 O   37 CA(0.5)  13 SI(0.5)    0.0
                         (B)   98 O   38 CA(0.5)  82 O (0.5)    0.0
                         (S)  114 O   38 CA(0.5)  14 SI(0.5)    0.0
                         (B)   99 O   39 CA(0.5)  83 O (0.5)    0.0
                         (S)  115 O   39 CA(0.5)  15 SI(0.5)    0.0
                         (B)  100 O   40 CA(0.5)  84 O (0.5)    0.0
                         (S)  116 O   40 CA(0.5)  16 SI(0.5)    0.0
                         (S)   41 CA  93 O (0.8)  49 CA(0.2)    0.0
                         (S)   42 CA  94 O (0.8)  50 CA(0.2)    0.0
                         (S)   43 CA  95 O (0.8)  50 CA(0.2)    0.0
                         (S)   44 CA  96 O (0.8)  49 CA(0.2)    0.0
                         (S)   45 CA  97 O (0.8)  51 CA(0.2)    0.0
                         (S)   46 CA  98 O (0.8)  52 CA(0.2)    0.0
                         (S)   47 CA  99 O (0.8)  52 CA(0.2)    0.0
                         (S)   48 CA 100 O (0.8)  51 CA(0.2)    0.0
  177    318.8496  (B1G)
                         (B)   93 O   33 CA(0.4)  77 O (0.6)    0.0
                         (S)  109 O   33 CA(0.5)   9 SI(0.5)    0.0
                         (B)   94 O   34 CA(0.4)  78 O (0.6)    0.0
                         (S)  110 O   34 CA(0.5)  10 SI(0.5)    0.0
                         (B)   95 O   35 CA(0.4)  79 O (0.6)    0.0
                         (S)  111 O   35 CA(0.5)  11 SI(0.5)    0.0
                         (B)   96 O   36 CA(0.4)  80 O (0.6)    0.0
                         (S)  112 O   36 CA(0.5)  12 SI(0.5)    0.0
                         (B)   97 O   37 CA(0.4)  81 O (0.6)    0.0
                         (S)  113 O   37 CA(0.5)  13 SI(0.5)    0.0
                         (B)   98 O   38 CA(0.4)  82 O (0.6)    0.0
                         (S)  114 O   38 CA(0.5)  14 SI(0.5)    0.0
                         (B)   99 O   39 CA(0.4)  83 O (0.6)    0.0
                         (S)  115 O   39 CA(0.5)  15 SI(0.5)    0.0
                         (B)  100 O   40 CA(0.4)  84 O (0.6)    0.0
                         (S)  116 O   40 CA(0.5)  16 SI(0.5)    0.0
                         (S)   93 O   41 CA(0.7)  52 CA(0.3)    0.0
                         (S)   94 O   42 CA(0.7)  51 CA(0.3)    0.0
                         (S)   95 O   43 CA(0.7)  51 CA(0.3)    0.0
                         (S)   96 O   44 CA(0.7)  52 CA(0.3)    0.0
                         (S)   97 O   45 CA(0.7)  50 CA(0.3)    0.0
                         (S)   98 O   46 CA(0.7)  49 CA(0.3)    0.0
                         (S)   99 O   47 CA(0.7)  49 CA(0.3)    0.0
                         (S)  100 O   48 CA(0.7)  50 CA(0.3)    0.0
  178    320.3051  (B1G)
                         (O)   77 O    1 SI(0.0)  33 CA(0.8)    0.0
                         (O)   78 O    2 SI(0.0)  34 CA(0.8)    0.0
                         (O)   79 O    3 SI(0.0)  35 CA(0.8)    0.0
                         (O)   80 O    4 SI(0.0)  36 CA(0.8)    0.0
                         (O)   81 O    5 SI(0.0)  37 CA(0.8)    0.0
                         (O)   82 O    6 SI(0.0)  38 CA(0.8)    0.0
                         (O)   83 O    7 SI(0.0)  39 CA(0.8)    0.0
                         (O)   84 O    8 SI(0.0)  40 CA(0.8)    0.0
                         (S)   61 O   41 CA(0.9)                0.0
                         (S)   62 O   42 CA(0.9)                0.0
                         (S)   63 O   43 CA(0.9)                0.0
                         (S)   64 O   44 CA(0.9)                0.0
                         (S)   65 O   45 CA(0.9)                0.0
                         (S)   66 O   46 CA(0.9)                0.0
                         (S)   67 O   47 CA(0.9)                0.0
                         (S)   68 O   48 CA(0.9)                0.0
  179    321.2941  (AG )
                         (B)   77 O    1 SI(0.0)  61 O (0.9)    0.0
                         (B)   78 O    2 SI(0.0)  62 O (0.9)    0.0
                         (B)   79 O    3 SI(0.0)  63 O (0.9)    0.0
                         (B)   80 O    4 SI(0.0)  64 O (0.9)    0.0
                         (B)   81 O    5 SI(0.0)  65 O (0.9)    0.0
                         (B)   82 O    6 SI(0.0)  66 O (0.9)    0.0
                         (B)   83 O    7 SI(0.0)  67 O (0.9)    0.0
                         (B)   84 O    8 SI(0.0)  68 O (0.9)    0.0
                         (B)   83 O   21 CA(0.0)  29 CA(0.9)    0.0
                         (B)   84 O   22 CA(0.0)  30 CA(0.9)    0.0
                         (B)   81 O   23 CA(0.0)  87 O (0.9)    0.0
                         (B)   82 O   24 CA(0.0)  32 CA(0.9)    0.0
                         (B)   79 O   25 CA(0.0)  89 O (0.9)    0.0
                         (B)   80 O   26 CA(0.0)  30 CA(0.9)    0.0
                         (B)   77 O   27 CA(0.0)  31 CA(0.9)    0.0
                         (B)   78 O   28 CA(0.0)  32 CA(0.9)    0.0
                         (B)   77 O   33 CA(0.3)  49 CA(0.7)    0.0
                         (B)   78 O   34 CA(0.3)  50 CA(0.7)    0.0
                         (B)   79 O   35 CA(0.3)  50 CA(0.7)    0.0
                         (B)   80 O   36 CA(0.3)  49 CA(0.7)    0.0
                         (B)   81 O   37 CA(0.3)  51 CA(0.7)    0.0
                         (B)   82 O   38 CA(0.3)  52 CA(0.7)    0.0
                         (B)   83 O   39 CA(0.3)  52 CA(0.7)    0.0
                         (B)   84 O   40 CA(0.3)  51 CA(0.7)    0.0
                         (S)   61 O   41 CA(0.9)                0.0
                         (S)   62 O   42 CA(0.9)                0.0
                         (S)   63 O   43 CA(0.9)                0.0
                         (S)   64 O   44 CA(0.9)                0.0
                         (S)   65 O   45 CA(0.9)                0.0
                         (S)   66 O   46 CA(0.9)                0.0
                         (S)   67 O   47 CA(0.9)                0.0
                         (S)   68 O   48 CA(0.9)                0.0
  180    321.6800  (B1U)
                         (B)   67 O   21 CA(0.2)  83 O (0.8)    0.0
                         (B)   75 O   21 CA(0.1)  83 O (0.9)    0.0
                         (B)   68 O   22 CA(0.2)  84 O (0.8)    0.0
                         (B)   74 O   22 CA(0.2)  32 CA(0.8)    0.0
                         (B)   76 O   22 CA(0.1)  84 O (0.9)    0.0
                         (B)   65 O   23 CA(0.2)  81 O (0.8)    0.0
                         (B)   73 O   23 CA(0.1)  81 O (0.9)    0.0
                         (B)   66 O   24 CA(0.2)  82 O (0.8)    0.0
                         (B)   74 O   24 CA(0.1)  82 O (0.9)    0.0
                         (B)   76 O   24 CA(0.2)  30 CA(0.8)    0.0
                         (B)   63 O   25 CA(0.2)  79 O (0.8)    0.0
                         (B)   71 O   25 CA(0.1)  79 O (0.9)    0.0
                         (B)   64 O   26 CA(0.2)  80 O (0.8)    0.0
                         (B)   70 O   26 CA(0.2)  32 CA(0.8)    0.0
                         (B)   72 O   26 CA(0.1)  80 O (0.9)    0.0
                         (B)   61 O   27 CA(0.2)  77 O (0.8)    0.0
                         (B)   69 O   27 CA(0.1)  77 O (0.9)    0.0
                         (B)   62 O   28 CA(0.2)  78 O (0.8)    0.0
                         (B)   70 O   28 CA(0.1)  78 O (0.9)    0.0
                         (B)   72 O   28 CA(0.2)  30 CA(0.8)    0.0
  181    321.7971  (B3G)
                         (O)   77 O    1 SI(0.0)  61 O (0.8)    0.0
                         (O)   78 O    2 SI(0.0)  62 O (0.8)    0.0
                         (O)   79 O    3 SI(0.0)  63 O (0.8)    0.0
                         (O)   80 O    4 SI(0.0)  64 O (0.8)    0.0
                         (O)   81 O    5 SI(0.0)  65 O (0.8)    0.0
                         (O)   82 O    6 SI(0.0)  66 O (0.8)    0.0
                         (O)   83 O    7 SI(0.0)  67 O (0.8)    0.0
                         (O)   84 O    8 SI(0.0)  68 O (0.8)    0.0
                         (S)   61 O   41 CA(1.0)                0.0
                         (S)   62 O   42 CA(1.0)                0.0
                         (S)   63 O   43 CA(1.0)                0.0
                         (S)   64 O   44 CA(1.0)                0.0
                         (S)   65 O   45 CA(1.0)                0.0
                         (S)   66 O   46 CA(1.0)                0.0
                         (S)   67 O   47 CA(1.0)                0.0
                         (S)   68 O   48 CA(1.0)                0.0
  182    322.8815  (B3U)
                         (B)   67 O   21 CA(0.2)  83 O (0.8)    0.0
                         (B)   75 O   21 CA(0.1)  83 O (0.9)    0.0
                         (B)   68 O   22 CA(0.2)  84 O (0.8)    0.0
                         (B)   74 O   22 CA(0.2)  32 CA(0.8)    0.0
                         (B)   76 O   22 CA(0.1)  84 O (0.9)    0.0
                         (B)   65 O   23 CA(0.2)  81 O (0.8)    0.0
                         (B)   73 O   23 CA(0.1)  81 O (0.9)    0.0
                         (B)   66 O   24 CA(0.2)  82 O (0.8)    0.0
                         (B)   74 O   24 CA(0.1)  82 O (0.9)    0.0
                         (B)   76 O   24 CA(0.2)  30 CA(0.8)    0.0
                         (B)   63 O   25 CA(0.2)  79 O (0.8)    0.0
                         (B)   71 O   25 CA(0.1)  79 O (0.9)    0.0
                         (B)   64 O   26 CA(0.2)  80 O (0.8)    0.0
                         (B)   70 O   26 CA(0.2)  32 CA(0.8)    0.0
                         (B)   72 O   26 CA(0.1)  80 O (0.9)    0.0
                         (B)   61 O   27 CA(0.2)  77 O (0.8)    0.0
                         (B)   69 O   27 CA(0.1)  77 O (0.9)    0.0
                         (B)   62 O   28 CA(0.2)  78 O (0.8)    0.0
                         (B)   70 O   28 CA(0.1)  78 O (0.9)    0.0
                         (B)   72 O   28 CA(0.2)  30 CA(0.8)    0.0
  183    328.1435  (B1U)
                         (S)  123 O   41 CA(0.6)  15 SI(0.4)    0.0
                         (S)  124 O   42 CA(0.6)  16 SI(0.4)    0.0
                         (S)  121 O   43 CA(0.6)  13 SI(0.4)    0.0
                         (S)  122 O   44 CA(0.6)  14 SI(0.4)    0.0
                         (S)  119 O   45 CA(0.6)  11 SI(0.4)    0.0
                         (S)  120 O   46 CA(0.6)  12 SI(0.4)    0.0
                         (S)  117 O   47 CA(0.6)   9 SI(0.4)    0.0
                         (S)  118 O   48 CA(0.6)  10 SI(0.4)    0.0
  184    330.0389  (AU )
                         (S)  109 O   33 CA(0.7)   9 SI(0.3)    0.0
                         (S)  110 O   34 CA(0.7)  10 SI(0.3)    0.0
                         (S)  111 O   35 CA(0.7)  11 SI(0.3)    0.0
                         (S)  112 O   36 CA(0.7)  12 SI(0.3)    0.0
                         (S)  113 O   37 CA(0.7)  13 SI(0.3)    0.0
                         (S)  114 O   38 CA(0.7)  14 SI(0.3)    0.0
                         (S)  115 O   39 CA(0.7)  15 SI(0.3)    0.0
                         (S)  116 O   40 CA(0.7)  16 SI(0.3)   -0.1
  185    332.9695  (B2G)
                         (B)  123 O   41 CA(0.3)  52 CA(0.7)    0.0
                         (B)  124 O   42 CA(0.3)  51 CA(0.7)    0.0
                         (B)  121 O   43 CA(0.3)  51 CA(0.7)    0.0
                         (B)  122 O   44 CA(0.3)  52 CA(0.7)    0.0
                         (B)  119 O   45 CA(0.3)  50 CA(0.7)    0.0
                         (B)  120 O   46 CA(0.3)  49 CA(0.7)    0.0
                         (B)  117 O   47 CA(0.3)  49 CA(0.7)    0.0
                         (B)  118 O   48 CA(0.3)  50 CA(0.7)    0.0
  186    334.3267  (B1U)
                         (S)  109 O   33 CA(0.9)                0.0
                         (S)  110 O   34 CA(0.9)                0.0
                         (S)  111 O   35 CA(0.9)                0.0
                         (S)  112 O   36 CA(0.9)                0.0
                         (S)  113 O   37 CA(0.9)                0.0
                         (S)  114 O   38 CA(0.9)                0.0
                         (S)  115 O   39 CA(0.9)                0.0
                         (S)  116 O   40 CA(0.9)               -0.1
  187    335.9925  (B3G)
                         (S)  109 O   33 CA(0.7)   9 SI(0.3)    0.0
                         (S)  110 O   34 CA(0.7)  10 SI(0.3)    0.0
                         (S)  111 O   35 CA(0.7)  11 SI(0.3)    0.0
                         (S)  112 O   36 CA(0.7)  12 SI(0.3)    0.0
                         (S)  113 O   37 CA(0.7)  13 SI(0.3)    0.0
                         (S)  114 O   38 CA(0.7)  14 SI(0.3)    0.0
                         (S)  115 O   39 CA(0.7)  15 SI(0.3)    0.0
                         (S)  116 O   40 CA(0.7)  16 SI(0.3)   -0.1
  188    338.2050  (B2U)
                         (S)  109 O   33 CA(0.8)   9 SI(0.2)    0.0
                         (S)  110 O   34 CA(0.8)  10 SI(0.2)    0.0
                         (S)  111 O   35 CA(0.8)  11 SI(0.2)    0.0
                         (S)  112 O   36 CA(0.8)  12 SI(0.2)    0.0
                         (S)  113 O   37 CA(0.8)  13 SI(0.2)    0.0
                         (S)  114 O   38 CA(0.8)  14 SI(0.2)    0.0
                         (S)  115 O   39 CA(0.8)  15 SI(0.2)    0.0
                         (S)  116 O   40 CA(0.8)  16 SI(0.2)    0.0
  189    341.4024  (AG )
                         (S)  109 O   33 CA(1.0)                0.0
                         (S)  110 O   34 CA(1.0)                0.0
                         (S)  111 O   35 CA(1.0)                0.0
                         (S)  112 O   36 CA(1.0)                0.0
                         (S)  113 O   37 CA(1.0)                0.0
                         (S)  114 O   38 CA(1.0)                0.0
                         (S)  115 O   39 CA(1.0)                0.0
                         (S)  116 O   40 CA(1.0)               -0.1
                         (B)  115 O   41 CA(0.0)  93 O (1.0)    0.0
                         (B)  116 O   42 CA(0.0)  94 O (1.0)    0.0
                         (B)  113 O   43 CA(0.0)  95 O (1.0)    0.0
                         (B)  114 O   44 CA(0.0)  96 O (1.0)    0.0
                         (B)  111 O   45 CA(0.0)  97 O (1.0)    0.0
                         (B)  112 O   46 CA(0.0)  98 O (1.0)    0.0
                         (B)  109 O   47 CA(0.0)  99 O (1.0)    0.0
                         (B)  110 O   48 CA(0.0) 100 O (1.0)    0.0
  190    341.8290  (B1G)
                         (B)   85 O   33 CA(0.4)  41 CA(0.5)    0.0
                         (B)   86 O   34 CA(0.4)  42 CA(0.5)    0.0
                         (B)   87 O   35 CA(0.4)  43 CA(0.5)    0.0
                         (B)   88 O   36 CA(0.4)  44 CA(0.5)    0.0
                         (B)   89 O   37 CA(0.4)  45 CA(0.5)    0.0
                         (B)   90 O   38 CA(0.4)  46 CA(0.5)    0.0
                         (B)   91 O   39 CA(0.4)  47 CA(0.5)    0.0
                         (B)   92 O   40 CA(0.4)  48 CA(0.5)    0.0
                         (B)  109 O   49 CA(0.2)  93 O (0.8)    0.0
                         (B)  112 O   49 CA(0.2)  96 O (0.8)    0.0
                         (B)  110 O   50 CA(0.2)  94 O (0.8)    0.0
                         (B)  111 O   50 CA(0.2)  95 O (0.8)    0.0
                         (B)  113 O   51 CA(0.2)  97 O (0.8)    0.0
                         (B)  116 O   51 CA(0.2) 100 O (0.8)    0.0
                         (B)  114 O   52 CA(0.2)  98 O (0.8)    0.0
                         (B)  115 O   52 CA(0.2)  99 O (0.8)    0.0
  191    342.7478  (B3U)
                         (S)  109 O   33 CA(1.0)                0.0
                         (S)  110 O   34 CA(1.0)                0.0
                         (S)  111 O   35 CA(1.0)                0.0
                         (S)  112 O   36 CA(1.0)                0.0
                         (S)  113 O   37 CA(1.0)                0.0
                         (S)  114 O   38 CA(1.0)                0.0
                         (S)  115 O   39 CA(1.0)                0.0
                         (S)  116 O   40 CA(1.0)               -0.1
                         (B)  115 O   41 CA(0.0)  93 O (1.0)    0.0
                         (B)  116 O   42 CA(0.0)  94 O (1.0)    0.0
                         (B)  113 O   43 CA(0.0)  95 O (1.0)    0.0
                         (B)  114 O   44 CA(0.0)  96 O (1.0)    0.0
                         (B)  111 O   45 CA(0.0)  97 O (1.0)    0.0
                         (B)  112 O   46 CA(0.0)  98 O (1.0)    0.0
                         (B)  109 O   47 CA(0.0)  99 O (1.0)    0.0
                         (B)  110 O   48 CA(0.0) 100 O (1.0)    0.0
  192    342.9221  (B2G)
                         (B)   93 O    9 SI(0.0) 101 O (1.0)    0.0
                         (B)   94 O   10 SI(0.0) 102 O (1.0)    0.0
                         (B)   95 O   11 SI(0.0) 103 O (1.0)    0.0
                         (B)   96 O   12 SI(0.0) 104 O (1.0)    0.0
                         (B)   97 O   13 SI(0.0) 105 O (1.0)    0.0
                         (B)   98 O   14 SI(0.0) 106 O (1.0)    0.0
                         (B)   99 O   15 SI(0.0) 107 O (1.0)    0.0
                         (B)  100 O   16 SI(0.0) 108 O (1.0)    0.0
                         (S)  109 O   33 CA(0.9)                0.0
                         (S)  110 O   34 CA(0.9)                0.0
                         (S)  111 O   35 CA(0.9)                0.0
                         (S)  112 O   36 CA(0.9)                0.0
                         (S)  113 O   37 CA(0.9)                0.0
                         (S)  114 O   38 CA(0.9)                0.0
                         (S)  115 O   39 CA(0.9)                0.0
                         (S)  116 O   40 CA(0.9)                0.0
                         (B)   91 O   41 CA(0.0) 115 O (1.0)    0.0
                         (S)   93 O   41 CA(0.7)  52 CA(0.3)    0.0
                         (B)   92 O   42 CA(0.0) 116 O (1.0)    0.0
                         (S)   94 O   42 CA(0.7)  51 CA(0.3)    0.0
                         (B)   89 O   43 CA(0.0) 113 O (1.0)    0.0
                         (S)   95 O   43 CA(0.7)  51 CA(0.3)    0.0
                         (B)   90 O   44 CA(0.0) 114 O (1.0)    0.0
                         (S)   96 O   44 CA(0.7)  52 CA(0.3)    0.0
                         (B)   87 O   45 CA(0.0) 111 O (1.0)    0.0
                         (S)   97 O   45 CA(0.7)  50 CA(0.3)    0.0
                         (B)   88 O   46 CA(0.0) 112 O (1.0)    0.0
                         (S)   98 O   46 CA(0.7)  49 CA(0.3)    0.0
                         (B)   85 O   47 CA(0.0) 109 O (1.0)    0.0
                         (S)   99 O   47 CA(0.7)  49 CA(0.3)    0.0
                         (B)   86 O   48 CA(0.0) 110 O (1.0)    0.0
                         (S)  100 O   48 CA(0.7)  50 CA(0.3)    0.0
                         (B)  109 O   49 CA(0.1)  33 CA(0.8)    0.0
                         (B)  112 O   49 CA(0.1)  36 CA(0.8)    0.0
                         (B)  110 O   50 CA(0.1)  34 CA(0.8)    0.0
                         (B)   50 CA 111 O (0.1)  35 CA(0.8)    0.0
                         (B)  113 O   51 CA(0.1)  37 CA(0.8)    0.0
                         (B)   51 CA 116 O (0.1)  40 CA(0.8)    0.0
                         (B)   52 CA 114 O (0.1)  38 CA(0.8)    0.0
                         (B)   52 CA 115 O (0.1)  39 CA(0.8)    0.0
  193    345.3600  (B2U)
                         (S)   85 O   33 CA(0.6)  41 CA(0.4)    0.0
                         (S)   93 O   33 CA(0.6) 109 O (0.4)    0.0
                         (S)   86 O   34 CA(0.6)  42 CA(0.4)    0.0
                         (S)   94 O   34 CA(0.6) 110 O (0.4)    0.0
                         (S)   87 O   35 CA(0.6)  43 CA(0.4)    0.0
                         (S)   95 O   35 CA(0.6) 111 O (0.4)    0.0
                         (S)   88 O   36 CA(0.6)  44 CA(0.4)    0.0
                         (S)   96 O   36 CA(0.6) 112 O (0.4)    0.0
                         (S)   89 O   37 CA(0.6)  45 CA(0.4)    0.0
                         (S)   97 O   37 CA(0.6) 113 O (0.4)    0.0
                         (S)   90 O   38 CA(0.6)  46 CA(0.4)    0.0
                         (S)   98 O   38 CA(0.6) 114 O (0.4)    0.0
                         (S)   91 O   39 CA(0.6)  47 CA(0.4)    0.0
                         (S)   99 O   39 CA(0.6) 115 O (0.4)    0.0
                         (S)   92 O   40 CA(0.6)  48 CA(0.4)    0.0
                         (S)  100 O   40 CA(0.6) 116 O (0.4)    0.0
                         (B)  109 O   49 CA(0.2)  93 O (0.8)    0.0
                         (B)  112 O   49 CA(0.2)  96 O (0.8)    0.0
                         (B)  110 O   50 CA(0.2)  94 O (0.8)    0.0
                         (B)  111 O   50 CA(0.2)  95 O (0.8)    0.0
                         (B)  113 O   51 CA(0.2)  97 O (0.8)    0.0
                         (B)  116 O   51 CA(0.2) 100 O (0.8)    0.0
                         (B)  114 O   52 CA(0.2)  98 O (0.8)    0.0
                         (B)  115 O   52 CA(0.2)  99 O (0.8)    0.0
  194    351.5674  (B1U)
                         (B)   93 O   33 CA(0.4) 109 O (0.6)    0.0
                         (B)   94 O   34 CA(0.4) 110 O (0.6)    0.0
                         (B)   95 O   35 CA(0.4) 111 O (0.6)    0.0
                         (B)   96 O   36 CA(0.4) 112 O (0.6)    0.0
                         (B)   97 O   37 CA(0.4) 113 O (0.6)    0.0
                         (B)   98 O   38 CA(0.4) 114 O (0.6)    0.0
                         (B)   99 O   39 CA(0.4) 115 O (0.6)    0.0
                         (B)  100 O   40 CA(0.4) 116 O (0.6)    0.0
                         (B)   93 O   41 CA(0.4)  52 CA(0.6)    0.0
                         (B)   94 O   42 CA(0.4)  51 CA(0.6)    0.0
                         (B)   95 O   43 CA(0.4)  51 CA(0.6)    0.0
                         (B)   96 O   44 CA(0.4)  52 CA(0.6)    0.0
                         (B)   97 O   45 CA(0.4)  50 CA(0.6)    0.0
                         (B)   98 O   46 CA(0.4)  49 CA(0.6)    0.0
                         (B)   99 O   47 CA(0.4)  49 CA(0.6)    0.0
                         (B)  100 O   48 CA(0.4)  50 CA(0.6)    0.0
  195    351.9394  (AU )
                         (B)   93 O   41 CA(0.1) 115 O (0.8)    0.0
                         (B)  115 O   41 CA(0.0)  93 O (1.0)    0.0
                         (B)   94 O   42 CA(0.1) 116 O (0.8)    0.0
                         (B)  116 O   42 CA(0.0)  94 O (1.0)    0.0
                         (B)   95 O   43 CA(0.1) 113 O (0.8)    0.0
                         (B)  113 O   43 CA(0.0)  95 O (1.0)    0.0
                         (B)   96 O   44 CA(0.1) 114 O (0.8)    0.0
                         (B)  114 O   44 CA(0.0)  96 O (1.0)    0.0
                         (B)   97 O   45 CA(0.1) 111 O (0.8)    0.0
                         (B)  111 O   45 CA(0.0)  97 O (1.0)    0.0
                         (B)   98 O   46 CA(0.1) 112 O (0.8)    0.0
                         (B)  112 O   46 CA(0.0)  98 O (1.0)    0.0
                         (B)   99 O   47 CA(0.1) 109 O (0.8)    0.0
                         (B)  109 O   47 CA(0.0)  99 O (1.0)    0.0
                         (B)  100 O   48 CA(0.1) 110 O (0.8)    0.0
                         (B)  110 O   48 CA(0.0) 100 O (1.0)    0.0
  196    352.0801  (B3U)
                         (S)   49 CA 122 O (0.8)  20 SI(0.2)    0.0
                         (S)   49 CA 123 O (0.8)  20 SI(0.2)    0.0
                         (S)  121 O   50 CA(0.8)  19 SI(0.2)    0.0
                         (S)  124 O   50 CA(0.8)  19 SI(0.2)    0.0
                         (S)   51 CA 118 O (0.8)  18 SI(0.2)    0.0
                         (S)   51 CA 119 O (0.8)  18 SI(0.2)    0.0
                         (S)  117 O   52 CA(0.8)  17 SI(0.2)    0.0
                         (S)  120 O   52 CA(0.8)  17 SI(0.2)    0.0
  197    352.2787  (AG )
                         (S)  122 O   49 CA(0.8) 112 O (0.2)    0.0
                         (S)  123 O   49 CA(0.8) 109 O (0.2)    0.0
                         (S)  121 O   50 CA(0.8) 111 O (0.2)    0.0
                         (S)  124 O   50 CA(0.8) 110 O (0.2)    0.0
                         (S)  118 O   51 CA(0.8) 116 O (0.2)    0.0
                         (S)  119 O   51 CA(0.8) 113 O (0.2)    0.0
                         (S)  117 O   52 CA(0.8) 115 O (0.2)    0.0
                         (S)  120 O   52 CA(0.8) 114 O (0.2)    0.0
  198    353.0021  (B1G)
                         (S)  109 O   33 CA(0.5)  61 O (0.4)    0.0
                         (S)  110 O   34 CA(0.5)  62 O (0.4)    0.0
                         (S)  111 O   35 CA(0.5)  63 O (0.4)    0.0
                         (S)  112 O   36 CA(0.5)  64 O (0.4)    0.0
                         (S)  113 O   37 CA(0.5)  65 O (0.4)    0.0
                         (S)  114 O   38 CA(0.5)  66 O (0.4)    0.0
                         (S)  115 O   39 CA(0.5)  67 O (0.4)    0.0
                         (S)  116 O   40 CA(0.5)  68 O (0.4)   -0.1
  199    353.3672  (B3G)
                         (B)  115 O   41 CA(0.1)  93 O (0.9)    0.0
                         (B)  116 O   42 CA(0.1)  94 O (0.9)    0.0
                         (B)  113 O   43 CA(0.1)  95 O (0.9)    0.0
                         (B)  114 O   44 CA(0.1)  96 O (0.9)    0.0
                         (B)  111 O   45 CA(0.1)  97 O (0.9)    0.0
                         (B)  112 O   46 CA(0.1)  98 O (0.9)    0.0
                         (B)  109 O   47 CA(0.1)  99 O (0.9)    0.0
                         (B)  110 O   48 CA(0.1) 100 O (0.9)    0.0
  200    360.0561  (AU )
                         (S)   29 CA   1 SI(0.9)                0.0
                         (S)   30 CA   2 SI(0.9)                0.0
                         (S)   32 CA   4 SI(0.9)                0.0
                         (S)   30 CA   6 SI(0.9)                0.0
                         (S)   31 CA   7 SI(0.9)                0.0
                         (S)   32 CA   8 SI(0.9)                0.0
                         (S)   21 CA  31 CA(0.6)  27 CA(0.4)    0.0
                         (S)   22 CA  32 CA(0.6)  28 CA(0.4)    0.0
                         (S)   24 CA  30 CA(0.6)  26 CA(0.4)    0.0
                         (S)   26 CA  32 CA(0.6)  28 CA(0.4)    0.0
                         (S)   27 CA  29 CA(0.6)  21 CA(0.4)    0.0
                         (S)   28 CA  30 CA(0.6)  22 CA(0.4)    0.0
                         (S)   53 O   29 CA(0.6)  27 CA(0.4)    0.0
                         (S)   69 O   29 CA(0.5)   1 SI(0.4)    0.0
                         (B)   77 O   29 CA(0.1)   1 SI(0.9)    0.0
                         (S)   54 O   30 CA(0.6)  28 CA(0.4)    0.0
                         (S)   58 O   30 CA(0.6)  24 CA(0.4)    0.0
                         (S)   70 O   30 CA(0.5)   2 SI(0.4)    0.0
                         (S)   74 O   30 CA(0.5)   2 SI(0.4)    0.0
                         (B)   78 O   30 CA(0.1)   2 SI(0.9)    0.0
                         (B)   82 O   30 CA(0.1)   2 SI(0.9)    0.0
                         (S)   59 O   31 CA(0.6)  21 CA(0.4)    0.0
                         (S)   75 O   31 CA(0.5)   7 SI(0.4)    0.0
                         (B)   83 O   31 CA(0.1)   7 SI(0.9)    0.0
                         (S)   56 O   32 CA(0.6)  22 CA(0.4)    0.0
                         (S)   60 O   32 CA(0.6)  22 CA(0.4)    0.0
                         (S)   72 O   32 CA(0.5)   4 SI(0.4)    0.0
                         (S)   76 O   32 CA(0.5)   4 SI(0.4)    0.0
                         (B)   80 O   32 CA(0.1)   8 SI(0.9)    0.0
                         (B)   84 O   32 CA(0.1)   4 SI(0.9)    0.0
  201    363.2455  (B2G)
                         (S)   93 O   33 CA(0.5) 109 O (0.5)    0.0
                         (B)  109 O   33 CA(0.3)  61 O (0.7)    0.0
                         (S)   94 O   34 CA(0.5) 110 O (0.5)    0.0
                         (B)  110 O   34 CA(0.3)  62 O (0.7)    0.0
                         (S)   95 O   35 CA(0.5) 111 O (0.5)    0.0
                         (B)  111 O   35 CA(0.3)  63 O (0.7)    0.0
                         (S)   96 O   36 CA(0.5) 112 O (0.5)    0.0
                         (B)  112 O   36 CA(0.3)  64 O (0.7)    0.0
                         (S)   97 O   37 CA(0.5) 113 O (0.5)    0.0
                         (B)  113 O   37 CA(0.3)  65 O (0.7)    0.0
                         (S)   98 O   38 CA(0.5) 114 O (0.5)    0.0
                         (B)  114 O   38 CA(0.3)  66 O (0.7)    0.0
                         (S)   99 O   39 CA(0.5) 115 O (0.5)    0.0
                         (B)  115 O   39 CA(0.3)  67 O (0.7)    0.0
                         (S)  100 O   40 CA(0.5) 116 O (0.5)    0.0
                         (B)  116 O   40 CA(0.3)  68 O (0.7)    0.0
  202    364.9722  (B3U)
                         (B)  109 O   33 CA(0.4)  85 O (0.6)    0.0
                         (B)  110 O   34 CA(0.4)  86 O (0.6)    0.0
                         (B)  111 O   35 CA(0.4)  87 O (0.6)    0.0
                         (B)  112 O   36 CA(0.4)  88 O (0.6)    0.0
                         (B)  113 O   37 CA(0.4)  89 O (0.6)    0.0
                         (B)  114 O   38 CA(0.4)  90 O (0.6)    0.0
                         (B)  115 O   39 CA(0.4)  91 O (0.6)    0.0
                         (B)  116 O   40 CA(0.4)  92 O (0.6)    0.0
  203    366.0603  (B1U)
                         (S)   29 CA   1 SI(0.9)                0.0
                         (S)   30 CA   2 SI(0.9)                0.0
                         (S)   32 CA   4 SI(0.9)                0.0
                         (S)   30 CA   6 SI(0.9)                0.0
                         (S)   31 CA   7 SI(0.9)                0.0
                         (S)   32 CA   8 SI(0.9)                0.0
                         (S)   53 O   29 CA(0.8)  27 CA(0.2)    0.0
                         (B)   77 O   29 CA(0.1)   1 SI(0.9)    0.0
                         (S)   54 O   30 CA(0.8)  24 CA(0.2)    0.0
                         (S)   58 O   30 CA(0.8)  24 CA(0.2)    0.0
                         (B)   78 O   30 CA(0.1)   2 SI(0.9)    0.0
                         (B)   82 O   30 CA(0.1)   2 SI(0.9)    0.0
                         (S)   59 O   31 CA(0.8)  21 CA(0.2)    0.0
                         (B)   83 O   31 CA(0.1)   7 SI(0.9)    0.0
                         (S)   56 O   32 CA(0.8)  22 CA(0.2)    0.0
                         (S)   60 O   32 CA(0.8)  22 CA(0.2)    0.0
                         (B)   80 O   32 CA(0.1)   4 SI(0.9)    0.0
                         (B)   84 O   32 CA(0.1)   4 SI(0.9)    0.0
  204    368.6695  (B2U)
                         (S)   29 CA   1 SI(0.9)                0.0
                         (S)   30 CA   2 SI(0.9)                0.0
                         (S)   32 CA   4 SI(0.9)                0.0
                         (S)   30 CA   6 SI(0.9)                0.0
                         (S)   31 CA   7 SI(0.9)                0.0
                         (S)   32 CA   8 SI(0.9)                0.0
                         (B)   17 SI 117 O (0.0)  47 CA(0.9)    0.0
                         (B)   17 SI 120 O (0.0)  46 CA(0.9)    0.0
                         (B)   18 SI 118 O (0.0)  48 CA(0.9)    0.0
                         (B)   18 SI 119 O (0.0)  45 CA(0.9)    0.0
                         (B)   19 SI 121 O (0.0)  43 CA(0.9)    0.0
                         (B)   19 SI 124 O (0.0)  42 CA(0.9)    0.0
                         (B)   20 SI 122 O (0.0)  44 CA(0.9)    0.0
                         (B)   20 SI 123 O (0.0)  41 CA(0.9)    0.0
                         (S)   21 CA  31 CA(0.7)  27 CA(0.3)    0.0
                         (S)   22 CA  32 CA(0.7)  28 CA(0.3)    0.0
                         (S)   24 CA  30 CA(0.7)  26 CA(0.3)    0.0
                         (S)   26 CA  32 CA(0.7)  28 CA(0.3)    0.0
                         (S)   27 CA  29 CA(0.7)  21 CA(0.3)    0.0
                         (S)   28 CA  30 CA(0.7)  22 CA(0.3)    0.0
                         (S)   33 CA  29 CA(0.9)                0.0
                         (B)   69 O   29 CA(0.5)  33 CA(0.5)    0.0
                         (B)   29 CA  77 O (0.2)   1 SI(0.8)    0.0
                         (S)   34 CA  30 CA(0.9)                0.0
                         (S)   38 CA  30 CA(0.9)                0.0
                         (B)   70 O   30 CA(0.5)  34 CA(0.5)    0.0
                         (B)   74 O   30 CA(0.5)  34 CA(0.5)    0.0
                         (B)   30 CA  78 O (0.2)   2 SI(0.8)    0.0
                         (B)   30 CA  82 O (0.2)   6 SI(0.8)    0.0
                         (S)   39 CA  31 CA(0.9)                0.0
                         (B)   75 O   31 CA(0.5)  39 CA(0.5)    0.0
                         (B)   31 CA  83 O (0.2)   7 SI(0.8)    0.0
                         (S)   36 CA  32 CA(0.9)                0.0
                         (S)   40 CA  32 CA(0.9)                0.0
                         (B)   72 O   32 CA(0.5)  36 CA(0.5)    0.0
                         (B)   76 O   32 CA(0.5)  36 CA(0.5)    0.0
                         (B)   32 CA  80 O (0.2)   4 SI(0.8)    0.0
                         (B)   32 CA  84 O (0.2)   8 SI(0.8)    0.0
                         (S)  123 O   41 CA(0.7)  52 CA(0.3)    0.0
                         (S)  124 O   42 CA(0.7)  51 CA(0.3)    0.0
                         (S)  121 O   43 CA(0.7)  51 CA(0.3)    0.0
                         (S)  122 O   44 CA(0.7)  52 CA(0.3)    0.0
                         (S)  119 O   45 CA(0.7)  50 CA(0.3)    0.0
                         (S)  120 O   46 CA(0.7)  49 CA(0.3)    0.0
                         (S)  117 O   47 CA(0.7)  49 CA(0.3)    0.0
                         (S)  118 O   48 CA(0.7)  50 CA(0.3)    0.0
                         (S)  122 O   49 CA(0.9)                0.0
                         (S)  123 O   49 CA(0.9)                0.0
                         (S)  121 O   50 CA(0.9)                0.0
                         (S)  124 O   50 CA(0.9)                0.0
                         (S)  118 O   51 CA(0.9)                0.0
                         (S)  119 O   51 CA(0.9)                0.0
                         (S)  117 O   52 CA(0.9)                0.0
                         (S)  120 O   52 CA(0.9)                0.0
  205    369.0692  (AG )
                         (B)  109 O   33 CA(0.3)  27 CA(0.7)    0.0
                         (B)  110 O   34 CA(0.3)  28 CA(0.7)    0.0
                         (B)  111 O   35 CA(0.3)  25 CA(0.7)    0.0
                         (B)  112 O   36 CA(0.3)  26 CA(0.7)    0.0
                         (B)  113 O   37 CA(0.3)  23 CA(0.7)    0.0
                         (B)  114 O   38 CA(0.3)  24 CA(0.7)    0.0
                         (B)  115 O   39 CA(0.3)  21 CA(0.7)    0.0
                         (B)  116 O   40 CA(0.3)  22 CA(0.7)    0.0
  206    376.6023  (B3G)
                         (B)    9 SI  85 O (0.0)  21 CA(0.9)    0.0
                         (B)   10 SI  86 O (0.0)  22 CA(0.9)    0.0
                         (B)   11 SI  87 O (0.0)  23 CA(0.9)    0.0
                         (B)   12 SI  88 O (0.0)  24 CA(0.9)    0.0
                         (B)   13 SI  89 O (0.0)  25 CA(0.9)    0.0
                         (B)   14 SI  90 O (0.0)  26 CA(0.9)    0.0
                         (B)   15 SI  91 O (0.0)  27 CA(0.9)    0.0
                         (B)   16 SI  92 O (0.0)  28 CA(0.9)    0.0
                         (S)   52 CA  17 SI(1.0)                0.0
                         (S)   51 CA  18 SI(1.0)                0.0
                         (S)   50 CA  19 SI(1.0)                0.0
                         (S)   49 CA  20 SI(1.0)                0.0
                         (B)  109 O   49 CA(0.1) 122 O (0.9)    0.0
                         (B)  112 O   49 CA(0.1) 123 O (0.9)    0.0
                         (B)  110 O   50 CA(0.1) 121 O (0.9)    0.0
                         (B)  111 O   50 CA(0.1) 124 O (0.9)    0.0
                         (B)  113 O   51 CA(0.1) 118 O (0.9)    0.0
                         (B)  116 O   51 CA(0.1) 119 O (0.9)    0.0
                         (B)  114 O   52 CA(0.1) 117 O (0.9)    0.0
                         (B)  115 O   52 CA(0.1) 120 O (0.9)    0.0
  207    382.2244  (B1G)
                         (S)   41 CA 123 O (0.8)  49 CA(0.2)    0.0
                         (S)   42 CA 124 O (0.8)  50 CA(0.2)    0.0
                         (S)   43 CA 121 O (0.8)  50 CA(0.2)    0.0
                         (S)   44 CA 122 O (0.8)  49 CA(0.2)    0.0
                         (S)   45 CA 119 O (0.8)  51 CA(0.2)    0.0
                         (S)   46 CA 120 O (0.8)  52 CA(0.2)    0.0
                         (S)   47 CA 117 O (0.8)  52 CA(0.2)    0.0
                         (S)   48 CA 118 O (0.8)  51 CA(0.2)   -0.1
  208    384.2624  (AU )
                         (B)    9 SI  85 O (0.0)  21 CA(0.9)    0.0
                         (B)   10 SI  86 O (0.0)  22 CA(0.9)    0.0
                         (B)   11 SI  87 O (0.0)  23 CA(0.9)    0.0
                         (B)   12 SI  88 O (0.0)  24 CA(0.9)    0.0
                         (B)   13 SI  89 O (0.0)  25 CA(0.9)    0.0
                         (B)   14 SI  90 O (0.0)  26 CA(0.9)    0.0
                         (B)   15 SI  91 O (0.0)  27 CA(0.9)    0.0
                         (B)   16 SI  92 O (0.0)  28 CA(0.9)    0.0
                         (S)   21 CA  85 O (0.6)   9 SI(0.3)    0.0
                         (S)   22 CA  86 O (0.6)  10 SI(0.3)    0.0
                         (S)   23 CA  87 O (0.6)  11 SI(0.3)    0.0
                         (S)   24 CA  88 O (0.6)  12 SI(0.3)    0.0
                         (S)   25 CA  89 O (0.6)  13 SI(0.3)    0.0
                         (S)   26 CA  90 O (0.6)  14 SI(0.3)    0.0
                         (S)   27 CA  91 O (0.6)  15 SI(0.3)    0.0
                         (S)   28 CA  92 O (0.6)  16 SI(0.3)    0.0
                         (S)   85 O   33 CA(0.7)  47 CA(0.3)    0.0
                         (B)  109 O   33 CA(0.5)  41 CA(0.5)    0.0
                         (S)   34 CA  86 O (0.7)  48 CA(0.3)    0.0
                         (B)  110 O   34 CA(0.5)  42 CA(0.5)    0.0
                         (S)   87 O   35 CA(0.7)  45 CA(0.3)    0.0
                         (B)  111 O   35 CA(0.5)  43 CA(0.5)    0.0
                         (S)   88 O   36 CA(0.7)  46 CA(0.3)    0.0
                         (B)  112 O   36 CA(0.5)  44 CA(0.5)    0.0
                         (S)   37 CA  89 O (0.7)  43 CA(0.3)    0.0
                         (B)  113 O   37 CA(0.5)  45 CA(0.5)    0.0
                         (S)   38 CA  90 O (0.7)  44 CA(0.3)    0.0
                         (B)  114 O   38 CA(0.5)  46 CA(0.5)    0.0
                         (S)   39 CA  91 O (0.7)  41 CA(0.3)    0.0
                         (B)  115 O   39 CA(0.5)  47 CA(0.5)    0.0
                         (S)   40 CA  92 O (0.7)  42 CA(0.3)    0.0
                         (B)  116 O   40 CA(0.5)  48 CA(0.5)    0.0
                         (B)  109 O   49 CA(0.2)  20 SI(0.8)    0.0
                         (B)  112 O   49 CA(0.2)  20 SI(0.8)    0.0
                         (B)  110 O   50 CA(0.2)  19 SI(0.8)    0.0
                         (B)  111 O   50 CA(0.2)  19 SI(0.8)    0.0
                         (B)  113 O   51 CA(0.2) 116 O (0.8)    0.0
                         (B)  116 O   51 CA(0.2) 113 O (0.8)    0.0
                         (B)  114 O   52 CA(0.2)  17 SI(0.8)    0.0
                         (B)  115 O   52 CA(0.2)  17 SI(0.8)    0.0
  209    387.7895  (B2G)
                         (B)   69 O    1 SI(0.0)  77 O (1.0)    0.0
                         (B)   70 O    2 SI(0.0)  78 O (1.0)    0.0
                         (B)   71 O    3 SI(0.0)  79 O (1.0)    0.0
                         (B)   72 O    4 SI(0.0)  80 O (1.0)    0.0
                         (B)   73 O    5 SI(0.0)  81 O (1.0)    0.0
                         (B)   74 O    6 SI(0.0)  82 O (1.0)    0.0
                         (B)   75 O    7 SI(0.0)  83 O (1.0)    0.0
                         (B)   76 O    8 SI(0.0)  84 O (1.0)    0.0
                         (B)   53 O   21 CA(0.5)  29 CA(0.5)    0.0
                         (B)   21 CA  75 O (0.4)  31 CA(0.6)    0.0
                         (B)   54 O   22 CA(0.5)  30 CA(0.5)    0.0
                         (B)   22 CA  74 O (0.4)   6 SI(0.5)    0.0
                         (B)   76 O   22 CA(0.4)  32 CA(0.6)    0.0
                         (B)   23 CA  55 O (0.5)   3 SI(0.5)    0.0
                         (B)   73 O   23 CA(0.4)  55 O (0.6)    0.0
                         (B)   56 O   24 CA(0.5)  32 CA(0.5)    0.0
                         (B)   74 O   24 CA(0.4)  30 CA(0.6)    0.0
                         (B)   24 CA  76 O (0.4)   8 SI(0.5)    0.0
                         (B)   25 CA  57 O (0.5)   5 SI(0.5)    0.0
                         (B)   71 O   25 CA(0.4)  57 O (0.6)    0.0
                         (B)   58 O   26 CA(0.5)  30 CA(0.5)    0.0
                         (B)   26 CA  70 O (0.4)   2 SI(0.5)    0.0
                         (B)   26 CA  72 O (0.4)  32 CA(0.6)    0.0
                         (B)   59 O   27 CA(0.5)  31 CA(0.5)    0.0
                         (B)   69 O   27 CA(0.4)  29 CA(0.6)    0.0
                         (B)   60 O   28 CA(0.5)  32 CA(0.5)    0.0
                         (B)   28 CA  70 O (0.4)  30 CA(0.6)    0.0
                         (B)   28 CA  72 O (0.4)   4 SI(0.5)    0.0
  210    388.4171  (B3U)
                         (S)   29 CA   1 SI(0.7)  33 CA(0.3)    0.0
                         (S)   30 CA   2 SI(0.7)  34 CA(0.3)    0.0
                         (S)   32 CA   4 SI(0.7)  36 CA(0.3)    0.0
                         (S)    6 SI  30 CA(0.7)  34 CA(0.3)    0.0
                         (S)   31 CA   7 SI(0.7)  39 CA(0.3)    0.0
                         (S)   32 CA   8 SI(0.7)  40 CA(0.3)    0.0
  211    388.5975  (B2U)
                         (S)   41 CA 123 O (0.8)  49 CA(0.2)    0.0
                         (S)   42 CA 124 O (0.8)  50 CA(0.2)    0.0
                         (S)   43 CA 121 O (0.8)  50 CA(0.2)    0.0
                         (S)   44 CA 122 O (0.8)  49 CA(0.2)    0.0
                         (S)   45 CA 119 O (0.8)  51 CA(0.2)    0.0
                         (S)   46 CA 120 O (0.8)  52 CA(0.2)    0.0
                         (S)   47 CA 117 O (0.8)  52 CA(0.2)    0.0
                         (S)   48 CA 118 O (0.8)  51 CA(0.2)   -0.1
  212    389.9090  (AG )
                         (B)   69 O    1 SI(0.0)  77 O (1.0)    0.0
                         (B)   70 O    2 SI(0.0)  78 O (1.0)    0.0
                         (B)   71 O    3 SI(0.0)  79 O (1.0)    0.0
                         (B)   72 O    4 SI(0.0)  80 O (1.0)    0.0
                         (B)   73 O    5 SI(0.0)  81 O (1.0)    0.0
                         (B)   74 O    6 SI(0.0)  82 O (1.0)    0.0
                         (B)   75 O    7 SI(0.0)  83 O (1.0)    0.0
                         (B)   76 O    8 SI(0.0)  84 O (1.0)    0.0
                         (B)   21 CA  75 O (0.3)  31 CA(0.7)    0.0
                         (B)   22 CA  74 O (0.4)   6 SI(0.5)    0.0
                         (B)   76 O   22 CA(0.3)  32 CA(0.7)    0.0
                         (B)   73 O   23 CA(0.3)  35 CA(0.6)    0.0
                         (B)   74 O   24 CA(0.3)  30 CA(0.7)    0.0
                         (B)   24 CA  76 O (0.4)   8 SI(0.5)    0.0
                         (B)   71 O   25 CA(0.3)  37 CA(0.6)    0.0
                         (B)   26 CA  70 O (0.4)   2 SI(0.5)    0.0
                         (B)   26 CA  72 O (0.3)  32 CA(0.7)    0.0
                         (B)   69 O   27 CA(0.3)  29 CA(0.7)    0.0
                         (B)   28 CA  70 O (0.3)  30 CA(0.7)    0.0
                         (B)   28 CA  72 O (0.4)   4 SI(0.5)    0.0
  213    391.3172  (B1U)
                         (S)  123 O   41 CA(0.7)  91 O (0.3)    0.0
                         (S)  124 O   42 CA(0.7)  92 O (0.3)    0.0
                         (S)  121 O   43 CA(0.7)  89 O (0.3)    0.0
                         (S)  122 O   44 CA(0.7)  90 O (0.3)    0.0
                         (S)  119 O   45 CA(0.7)  87 O (0.3)    0.0
                         (S)  120 O   46 CA(0.7)  88 O (0.3)    0.0
                         (S)  117 O   47 CA(0.7)  85 O (0.3)    0.0
                         (S)  118 O   48 CA(0.7)  86 O (0.3)   -0.1
  214    394.2400  (B2G)
                         (S)   41 CA 123 O (0.8)  20 SI(0.2)    0.0
                         (S)   42 CA 124 O (0.8)  19 SI(0.2)    0.0
                         (S)   43 CA 121 O (0.8)  19 SI(0.2)    0.0
                         (S)   44 CA 122 O (0.8)  20 SI(0.2)    0.0
                         (S)   45 CA 119 O (0.8)  18 SI(0.2)    0.0
                         (S)   46 CA 120 O (0.8)  17 SI(0.2)    0.0
                         (S)   47 CA 117 O (0.8)  17 SI(0.2)    0.0
                         (S)   48 CA 118 O (0.8)  18 SI(0.2)   -0.1
  215    395.7928  (B2U)
                         (B)   85 O   21 CA(0.4)  31 CA(0.6)    0.0
                         (B)   86 O   22 CA(0.4)  32 CA(0.6)    0.0
                         (B)   23 CA  87 O (0.4)  45 CA(0.5)    0.0
                         (B)   88 O   24 CA(0.4)  30 CA(0.6)    0.0
                         (B)   25 CA  89 O (0.4)  43 CA(0.5)    0.0
                         (B)   90 O   26 CA(0.4)  32 CA(0.6)    0.0
                         (B)   91 O   27 CA(0.4)  29 CA(0.6)    0.0
                         (B)   92 O   28 CA(0.4)  30 CA(0.6)    0.0
                         (B)   85 O   33 CA(0.1)  77 O (0.9)    0.0
                         (B)   86 O   34 CA(0.1)  78 O (0.9)    0.0
                         (B)   87 O   35 CA(0.1)  79 O (0.9)    0.0
                         (B)   88 O   36 CA(0.1)  80 O (0.9)    0.0
                         (B)   89 O   37 CA(0.1)  81 O (0.9)    0.0
                         (B)   90 O   38 CA(0.1)  82 O (0.9)    0.0
                         (B)   91 O   39 CA(0.1)  83 O (0.9)    0.0
                         (B)   92 O   40 CA(0.1)  84 O (0.9)    0.0
                         (S)   91 O   41 CA(0.9)                0.0
                         (S)   92 O   42 CA(0.9)                0.0
                         (S)   89 O   43 CA(0.9)                0.0
                         (S)   90 O   44 CA(0.9)                0.0
                         (S)   87 O   45 CA(0.9)                0.0
                         (S)   88 O   46 CA(0.9)                0.0
                         (S)   85 O   47 CA(0.9)                0.0
                         (S)   86 O   48 CA(0.9)                0.0
  216    396.0207  (B1G)
                         (B)   21 CA  53 O (0.4)   1 SI(0.6)    0.0
                         (B)   21 CA  85 O (0.5)  47 CA(0.5)    0.0
                         (B)   22 CA  54 O (0.4)   2 SI(0.6)    0.0
                         (B)   22 CA  86 O (0.5)  48 CA(0.5)    0.0
                         (B)   23 CA  55 O (0.4)   3 SI(0.6)    0.0
                         (B)   23 CA  87 O (0.5)  45 CA(0.5)    0.0
                         (B)   24 CA  56 O (0.4)   4 SI(0.6)    0.0
                         (B)   24 CA  88 O (0.5)  46 CA(0.5)    0.0
                         (B)   25 CA  57 O (0.4)   5 SI(0.6)    0.0
                         (B)   25 CA  89 O (0.5)  43 CA(0.5)    0.0
                         (B)   26 CA  58 O (0.4)   6 SI(0.6)    0.0
                         (B)   26 CA  90 O (0.5)  44 CA(0.5)    0.0
                         (B)   27 CA  59 O (0.4)   7 SI(0.6)    0.0
                         (B)   27 CA  91 O (0.5)  41 CA(0.5)    0.0
                         (B)   28 CA  60 O (0.4)   8 SI(0.6)    0.0
                         (B)   28 CA  92 O (0.5)  42 CA(0.5)    0.0
                         (S)   91 O   41 CA(0.9)                0.0
                         (S)   92 O   42 CA(0.9)                0.0
                         (S)   89 O   43 CA(0.9)                0.0
                         (S)   90 O   44 CA(0.9)                0.0
                         (S)   87 O   45 CA(0.9)                0.0
                         (S)   88 O   46 CA(0.9)                0.0
                         (S)   85 O   47 CA(0.9)                0.0
                         (S)   86 O   48 CA(0.9)                0.0
  217    397.9579  (B1U)
                         (S)   93 O   33 CA(0.9)                0.0
                         (S)   94 O   34 CA(0.9)                0.0
                         (S)   95 O   35 CA(0.9)                0.0
                         (S)   96 O   36 CA(0.9)                0.0
                         (S)   97 O   37 CA(0.9)                0.0
                         (S)   98 O   38 CA(0.9)                0.0
                         (S)   99 O   39 CA(0.9)                0.0
                         (S)  100 O   40 CA(0.9)                0.0
  218    399.2213  (B3G)
                         (B)   69 O    1 SI(0.0)  33 CA(1.0)    0.0
                         (B)   70 O    2 SI(0.0)  34 CA(1.0)    0.0
                         (B)   71 O    3 SI(0.0)  35 CA(1.0)    0.0
                         (B)   72 O    4 SI(0.0)  36 CA(1.0)    0.0
                         (B)   73 O    5 SI(0.0)  37 CA(1.0)    0.0
                         (B)   74 O    6 SI(0.0)  38 CA(1.0)    0.0
                         (B)   75 O    7 SI(0.0)  39 CA(1.0)    0.0
                         (B)   76 O    8 SI(0.0)  40 CA(1.0)    0.0
                         (B)   53 O   21 CA(0.4)  29 CA(0.6)    0.0
                         (B)   54 O   22 CA(0.4)  30 CA(0.6)    0.0
                         (B)   22 CA  74 O (0.5)   6 SI(0.5)    0.0
                         (B)   55 O   23 CA(0.4)  65 O (0.6)    0.0
                         (B)   56 O   24 CA(0.4)  32 CA(0.6)    0.0
                         (B)   24 CA  76 O (0.5)   8 SI(0.5)    0.0
                         (B)   57 O   25 CA(0.4)  63 O (0.6)    0.0
                         (B)   58 O   26 CA(0.4)  30 CA(0.6)    0.0
                         (B)   26 CA  70 O (0.5)   2 SI(0.5)    0.0
                         (B)   59 O   27 CA(0.4)  31 CA(0.6)    0.0
                         (B)   60 O   28 CA(0.4)  32 CA(0.6)    0.0
                         (B)   28 CA  72 O (0.5)   4 SI(0.5)    0.0
  219    402.1969  (B2G)
                         (S)   61 O   33 CA(0.7)  47 CA(0.2)    0.0
                         (B)   85 O   33 CA(0.1)  41 CA(0.9)    0.0
                         (S)   62 O   34 CA(0.7)  48 CA(0.2)    0.0
                         (B)   86 O   34 CA(0.1)  42 CA(0.9)    0.0
                         (S)   63 O   35 CA(0.7)  45 CA(0.2)    0.0
                         (B)   87 O   35 CA(0.1)  43 CA(0.9)    0.0
                         (S)   64 O   36 CA(0.7)  46 CA(0.2)    0.0
                         (B)   88 O   36 CA(0.1)  44 CA(0.9)    0.0
                         (S)   65 O   37 CA(0.7)  43 CA(0.2)    0.0
                         (B)   89 O   37 CA(0.1)  45 CA(0.9)    0.0
                         (S)   66 O   38 CA(0.7)  44 CA(0.2)    0.0
                         (B)   90 O   38 CA(0.1)  46 CA(0.9)    0.0
                         (S)   67 O   39 CA(0.7)  41 CA(0.2)    0.0
                         (B)   91 O   39 CA(0.1)  47 CA(0.9)    0.0
                         (S)   68 O   40 CA(0.7)  42 CA(0.2)    0.0
                         (B)   92 O   40 CA(0.1)  48 CA(0.9)    0.0
                         (B)   61 O   41 CA(0.2) 123 O (0.8)    0.0
                         (S)   91 O   41 CA(0.9)                0.0
                         (S)  123 O   41 CA(0.6)  52 CA(0.4)    0.0
                         (B)   62 O   42 CA(0.2) 124 O (0.8)    0.0
                         (S)   92 O   42 CA(0.9)                0.0
                         (S)  124 O   42 CA(0.6)  51 CA(0.4)    0.0
                         (B)   63 O   43 CA(0.2) 121 O (0.8)    0.0
                         (S)   89 O   43 CA(0.9)                0.0
                         (S)  121 O   43 CA(0.6)  51 CA(0.4)    0.0
                         (B)   64 O   44 CA(0.2) 122 O (0.8)    0.0
                         (S)   90 O   44 CA(0.9)                0.0
                         (S)  122 O   44 CA(0.6)  52 CA(0.4)    0.0
                         (B)   65 O   45 CA(0.2) 119 O (0.8)    0.0
                         (S)   87 O   45 CA(0.9)                0.0
                         (S)  119 O   45 CA(0.6)  50 CA(0.4)    0.0
                         (B)   66 O   46 CA(0.2) 120 O (0.8)    0.0
                         (S)   88 O   46 CA(0.9)                0.0
                         (S)  120 O   46 CA(0.6)  49 CA(0.4)    0.0
                         (B)   67 O   47 CA(0.2) 117 O (0.8)    0.0
                         (S)   85 O   47 CA(0.9)                0.0
                         (S)  117 O   47 CA(0.6)  49 CA(0.4)    0.0
                         (B)   68 O   48 CA(0.2) 118 O (0.8)    0.0
                         (S)   86 O   48 CA(0.9)                0.0
                         (S)  118 O   48 CA(0.6)  50 CA(0.4)    0.0
  220    404.4113  (B1G)
                         (B)   85 O   21 CA(0.4)  39 CA(0.6)    0.0
                         (B)   86 O   22 CA(0.4)  40 CA(0.6)    0.0
                         (B)   87 O   23 CA(0.4)  37 CA(0.6)    0.0
                         (B)   88 O   24 CA(0.4)  38 CA(0.6)    0.0
                         (B)   89 O   25 CA(0.4)  35 CA(0.6)    0.0
                         (B)   90 O   26 CA(0.4)  36 CA(0.6)    0.0
                         (B)   91 O   27 CA(0.4)  33 CA(0.6)    0.0
                         (B)   92 O   28 CA(0.4)  34 CA(0.6)    0.0
                         (S)   33 CA  53 O (0.8)  29 CA(0.2)    0.0
                         (B)   85 O   33 CA(0.1)  77 O (0.8)    0.0
                         (S)   93 O   33 CA(0.9)                0.0
                         (S)   34 CA  54 O (0.8)  30 CA(0.2)    0.0
                         (B)   86 O   34 CA(0.1)  78 O (0.8)    0.0
                         (S)   94 O   34 CA(0.9)                0.0
                         (S)   55 O   35 CA(0.8)  50 CA(0.2)    0.0
                         (B)   87 O   35 CA(0.1)  79 O (0.8)    0.0
                         (S)   95 O   35 CA(0.9)                0.0
                         (S)   56 O   36 CA(0.8)  32 CA(0.2)    0.0
                         (B)   88 O   36 CA(0.1)  80 O (0.8)    0.0
                         (S)   96 O   36 CA(0.9)                0.0
                         (S)   57 O   37 CA(0.8)  51 CA(0.2)    0.0
                         (B)   89 O   37 CA(0.1)  81 O (0.8)    0.0
                         (S)   97 O   37 CA(0.9)                0.0
                         (S)   38 CA  58 O (0.8)  30 CA(0.2)    0.0
                         (B)   90 O   38 CA(0.1)  82 O (0.8)    0.0
                         (S)   98 O   38 CA(0.9)                0.0
                         (S)   59 O   39 CA(0.8)  31 CA(0.2)    0.0
                         (B)   91 O   39 CA(0.1)  83 O (0.8)    0.0
                         (S)   99 O   39 CA(0.9)                0.0
                         (S)   60 O   40 CA(0.8)  32 CA(0.2)    0.0
                         (B)   92 O   40 CA(0.1)  84 O (0.8)    0.0
                         (S)  100 O   40 CA(0.9)                0.0
  221    407.9783  (AG )
                         (B)   67 O   21 CA(0.4)  39 CA(0.6)    0.0
                         (B)   68 O   22 CA(0.4)  40 CA(0.6)    0.0
                         (B)   23 CA  65 O (0.4)  37 CA(0.6)    0.0
                         (B)   66 O   24 CA(0.4)  38 CA(0.6)    0.0
                         (B)   63 O   25 CA(0.4)  35 CA(0.6)    0.0
                         (B)   64 O   26 CA(0.4)  36 CA(0.6)    0.0
                         (B)   61 O   27 CA(0.4)  33 CA(0.6)    0.0
                         (B)   28 CA  62 O (0.4)  34 CA(0.6)    0.0
                         (S)   61 O   33 CA(0.6)  47 CA(0.4)    0.0
                         (S)   93 O   33 CA(0.9)                0.0
                         (S)   62 O   34 CA(0.6)  48 CA(0.4)    0.0
                         (S)   94 O   34 CA(0.9)                0.0
                         (S)   63 O   35 CA(0.6)  45 CA(0.4)    0.0
                         (S)   95 O   35 CA(0.9)                0.0
                         (S)   64 O   36 CA(0.6)  46 CA(0.4)    0.0
                         (S)   96 O   36 CA(0.9)                0.0
                         (S)   65 O   37 CA(0.6)  43 CA(0.4)    0.0
                         (S)   97 O   37 CA(0.9)                0.0
                         (S)   66 O   38 CA(0.6)  44 CA(0.4)    0.0
                         (S)   98 O   38 CA(0.9)                0.0
                         (S)   67 O   39 CA(0.6)  41 CA(0.4)    0.0
                         (S)   99 O   39 CA(0.9)                0.0
                         (S)   68 O   40 CA(0.6)  42 CA(0.4)    0.0
                         (S)  100 O   40 CA(0.9)                0.0
  222    409.7877  (B3U)
                         (S)   53 O   29 CA(1.0)                0.0
                         (S)   54 O   30 CA(1.0)                0.0
                         (S)   58 O   30 CA(1.0)                0.0
                         (S)   59 O   31 CA(1.0)                0.0
                         (S)   56 O   32 CA(1.0)                0.0
                         (S)   60 O   32 CA(1.0)                0.0
                         (S)   61 O   33 CA(0.6)  47 CA(0.4)    0.0
                         (S)   62 O   34 CA(0.6)  48 CA(0.4)    0.0
                         (S)   63 O   35 CA(0.6)  45 CA(0.4)    0.0
                         (S)   64 O   36 CA(0.6)  46 CA(0.4)    0.0
                         (S)   65 O   37 CA(0.6)  43 CA(0.4)    0.0
                         (S)   66 O   38 CA(0.6)  44 CA(0.4)    0.0
                         (S)   67 O   39 CA(0.6)  41 CA(0.4)    0.0
                         (S)   68 O   40 CA(0.6)  42 CA(0.4)    0.0
  223    410.7644  (AU )
                         (B)   69 O    1 SI(0.0)  33 CA(0.9)    0.0
                         (B)    2 SI  70 O (0.0)  26 CA(1.0)    0.0
                         (B)   71 O    3 SI(0.0)  35 CA(0.9)    0.0
                         (B)    4 SI  72 O (0.0)  28 CA(1.0)    0.0
                         (B)   73 O    5 SI(0.0)  37 CA(0.9)    0.0
                         (B)    6 SI  74 O (0.0)  22 CA(1.0)    0.0
                         (B)   75 O    7 SI(0.0)  39 CA(0.9)    0.0
                         (B)    8 SI  76 O (0.0)  24 CA(1.0)    0.0
                         (S)   21 CA  75 O (0.6)  31 CA(0.4)    0.0
                         (B)   22 CA  74 O (0.4)   6 SI(0.6)    0.0
                         (S)   76 O   22 CA(0.6)  32 CA(0.4)    0.0
                         (S)   73 O   23 CA(0.6)  35 CA(0.4)    0.0
                         (S)   74 O   24 CA(0.6)  30 CA(0.4)    0.0
                         (B)   24 CA  76 O (0.4)   8 SI(0.6)    0.0
                         (S)   71 O   25 CA(0.6)  37 CA(0.4)    0.0
                         (B)   26 CA  70 O (0.4)   2 SI(0.6)    0.0
                         (S)   26 CA  72 O (0.6)  32 CA(0.4)    0.0
                         (S)   69 O   27 CA(0.6)  29 CA(0.4)    0.0
                         (S)   28 CA  70 O (0.6)  30 CA(0.4)    0.0
                         (B)   28 CA  72 O (0.4)   4 SI(0.6)    0.0
                         (S)   29 CA  69 O (0.6)  27 CA(0.4)    0.0
                         (S)   70 O   30 CA(0.6)  24 CA(0.4)    0.0
                         (S)   74 O   30 CA(0.6)  28 CA(0.4)    0.0
                         (S)   31 CA  75 O (0.6)  21 CA(0.4)    0.0
                         (S)   72 O   32 CA(0.6)  26 CA(0.4)    0.0
                         (S)   32 CA  76 O (0.6)  22 CA(0.4)    0.0
  224    412.4748  (B2U)
                         (B)   69 O    1 SI(0.0)  33 CA(0.9)    0.0
                         (B)    2 SI  70 O (0.0)  26 CA(1.0)    0.0
                         (B)   71 O    3 SI(0.0)  35 CA(0.9)    0.0
                         (B)    4 SI  72 O (0.0)  28 CA(1.0)    0.0
                         (B)   73 O    5 SI(0.0)  37 CA(0.9)    0.0
                         (B)    6 SI  74 O (0.0)  22 CA(1.0)    0.0
                         (B)   75 O    7 SI(0.0)  39 CA(0.9)    0.0
                         (B)    8 SI  76 O (0.0)  24 CA(1.0)    0.0
                         (S)   21 CA  75 O (0.6)  31 CA(0.4)    0.0
                         (B)   22 CA  74 O (0.4)   6 SI(0.6)    0.0
                         (S)   76 O   22 CA(0.6)  32 CA(0.4)    0.0
                         (S)   73 O   23 CA(0.6)  55 O (0.4)    0.0
                         (S)   74 O   24 CA(0.6)  30 CA(0.4)    0.0
                         (B)   24 CA  76 O (0.4)   8 SI(0.6)    0.0
                         (S)   71 O   25 CA(0.6)  57 O (0.4)    0.0
                         (B)   26 CA  70 O (0.4)   2 SI(0.6)    0.0
                         (S)   26 CA  72 O (0.6)  32 CA(0.4)    0.0
                         (S)   69 O   27 CA(0.6)  29 CA(0.4)    0.0
                         (S)   28 CA  70 O (0.6)  30 CA(0.4)    0.0
                         (B)   28 CA  72 O (0.4)   4 SI(0.6)    0.0
                         (S)   29 CA  69 O (0.5)  27 CA(0.5)    0.0
                         (B)   77 O   29 CA(0.1)  21 CA(0.8)    0.0
                         (S)   70 O   30 CA(0.5)  28 CA(0.5)    0.0
                         (S)   74 O   30 CA(0.5)  28 CA(0.5)    0.0
                         (B)   78 O   30 CA(0.1)  22 CA(0.8)    0.0
                         (B)   82 O   30 CA(0.1)  22 CA(0.8)    0.0
                         (S)   31 CA  75 O (0.5)  21 CA(0.5)    0.0
                         (B)   83 O   31 CA(0.1)  27 CA(0.8)    0.0
                         (S)   72 O   32 CA(0.5)  26 CA(0.5)    0.0
                         (S)   32 CA  76 O (0.5)  22 CA(0.5)    0.0
                         (B)   80 O   32 CA(0.1)  28 CA(0.8)    0.0
                         (B)   84 O   32 CA(0.1)  24 CA(0.8)    0.0
                         (S)   53 O   33 CA(1.0)                0.0
                         (S)   54 O   34 CA(1.0)                0.0
                         (S)   55 O   35 CA(1.0)                0.0
                         (S)   56 O   36 CA(1.0)                0.0
                         (S)   57 O   37 CA(1.0)                0.0
                         (S)   58 O   38 CA(1.0)                0.0
                         (S)   59 O   39 CA(1.0)                0.0
                         (S)   60 O   40 CA(1.0)                0.0
  225    416.7987  (B1U)
                         (B)   69 O    1 SI(0.0)  77 O (1.0)    0.0
                         (B)   70 O    2 SI(0.0)  78 O (1.0)    0.0
                         (B)   71 O    3 SI(0.0)  79 O (1.0)    0.0
                         (B)   72 O    4 SI(0.0)  80 O (1.0)    0.0
                         (B)   73 O    5 SI(0.0)  81 O (1.0)    0.0
                         (B)   74 O    6 SI(0.0)  82 O (1.0)    0.0
                         (B)   75 O    7 SI(0.0)  83 O (1.0)    0.0
                         (B)   76 O    8 SI(0.0)  84 O (1.0)    0.0
                         (B)   75 O   21 CA(0.3)  31 CA(0.7)    0.0
                         (S)   74 O   22 CA(0.5)  86 O (0.4)    0.0
                         (B)   76 O   22 CA(0.3)  32 CA(0.7)    0.0
                         (B)   73 O   23 CA(0.3)  55 O (0.7)    0.0
                         (B)   74 O   24 CA(0.3)  30 CA(0.7)    0.0
                         (S)   76 O   24 CA(0.5)  88 O (0.4)    0.0
                         (B)   71 O   25 CA(0.3)  57 O (0.7)    0.0
                         (S)   70 O   26 CA(0.5)  90 O (0.4)    0.0
                         (B)   26 CA  72 O (0.3)  32 CA(0.7)    0.0
                         (B)   69 O   27 CA(0.3)  29 CA(0.7)    0.0
                         (B)   28 CA  70 O (0.3)  30 CA(0.7)    0.0
                         (S)   72 O   28 CA(0.5)  92 O (0.4)    0.0
                         (S)   29 CA  69 O (0.6)  27 CA(0.4)    0.0
                         (S)   70 O   30 CA(0.6)  28 CA(0.4)    0.0
                         (S)   74 O   30 CA(0.6)  28 CA(0.4)    0.0
                         (S)   31 CA  75 O (0.6)  21 CA(0.4)    0.0
                         (S)   72 O   32 CA(0.6)  26 CA(0.4)    0.0
                         (S)   32 CA  76 O (0.6)  22 CA(0.4)    0.0
  226    421.2466  (B3G)
                         (B)    1 SI  61 O (0.0)  41 CA(1.0)    0.0
                         (B)    2 SI  62 O (0.0)  42 CA(1.0)    0.0
                         (B)    3 SI  63 O (0.0)  43 CA(1.0)    0.0
                         (B)    4 SI  64 O (0.0)  44 CA(1.0)    0.0
                         (B)    5 SI  65 O (0.0)  45 CA(1.0)    0.0
                         (B)    6 SI  66 O (0.0)  46 CA(1.0)    0.0
                         (B)    7 SI  67 O (0.0)  47 CA(1.0)    0.0
                         (B)    8 SI  68 O (0.0)  48 CA(1.0)    0.0
                         (S)   67 O   21 CA(0.8)  39 CA(0.2)    0.0
                         (S)   68 O   22 CA(0.8)  40 CA(0.2)    0.0
                         (S)   23 CA  65 O (0.8)  37 CA(0.2)    0.0
                         (S)   24 CA  66 O (0.8)  38 CA(0.2)    0.0
                         (S)   63 O   25 CA(0.8)  35 CA(0.2)    0.0
                         (S)   64 O   26 CA(0.8)  36 CA(0.2)    0.0
                         (S)   61 O   27 CA(0.8)  33 CA(0.2)    0.0
                         (S)   28 CA  62 O (0.8)  34 CA(0.2)    0.0
                         (S)   41 CA  61 O (0.6)   1 SI(0.4)    0.0
                         (S)   42 CA  62 O (0.6)   2 SI(0.4)    0.0
                         (S)   43 CA  63 O (0.6)   3 SI(0.4)    0.0
                         (S)   44 CA  64 O (0.6)   4 SI(0.4)    0.0
                         (S)   45 CA  65 O (0.6)   5 SI(0.4)    0.0
                         (S)   46 CA  66 O (0.6)   6 SI(0.4)    0.0
                         (S)   47 CA  67 O (0.6)   7 SI(0.4)    0.0
                         (S)   48 CA  68 O (0.6)   8 SI(0.4)    0.0
  227    421.8606  (B3U)
                         (B)   53 O    1 SI(0.0)  33 CA(1.0)    0.0
                         (B)   54 O    2 SI(0.0)  34 CA(1.0)    0.0
                         (B)   55 O    3 SI(0.0)  35 CA(1.0)    0.0
                         (B)    4 SI  56 O (0.0)  36 CA(1.0)    0.0
                         (B)    5 SI  57 O (0.0)  37 CA(1.0)    0.0
                         (B)    6 SI  58 O (0.0)  38 CA(1.0)    0.0
                         (B)    7 SI  59 O (0.0)  39 CA(1.0)    0.0
                         (B)    8 SI  60 O (0.0)  40 CA(1.0)    0.0
                         (B)   75 O   21 CA(0.5)  29 CA(0.5)    0.0
                         (S)   22 CA  74 O (0.7)   6 SI(0.2)    0.0
                         (B)   76 O   22 CA(0.5)  30 CA(0.5)    0.0
                         (B)   73 O   23 CA(0.5)  81 O (0.5)    0.0
                         (B)   74 O   24 CA(0.5)  32 CA(0.5)    0.0
                         (S)   24 CA  76 O (0.7)   8 SI(0.2)    0.0
                         (B)   71 O   25 CA(0.5)  79 O (0.5)    0.0
                         (S)   26 CA  70 O (0.7)   2 SI(0.2)    0.0
                         (B)   72 O   26 CA(0.5)  30 CA(0.5)    0.0
                         (B)   69 O   27 CA(0.5)  31 CA(0.5)    0.0
                         (B)   70 O   28 CA(0.5)  32 CA(0.5)    0.0
                         (S)   28 CA  72 O (0.7)   4 SI(0.2)    0.0
                         (B)   69 O   29 CA(0.3)  77 O (0.7)    0.0
                         (B)   70 O   30 CA(0.3)  78 O (0.7)    0.0
                         (B)   74 O   30 CA(0.3)  82 O (0.7)    0.0
                         (B)   75 O   31 CA(0.3)  83 O (0.7)    0.0
                         (B)   72 O   32 CA(0.3)  80 O (0.7)    0.0
                         (B)   76 O   32 CA(0.3)  80 O (0.7)    0.0
  228    424.0993  (B1G)
                         (B)    1 SI  61 O (0.0)  41 CA(1.0)    0.0
                         (B)    2 SI  62 O (0.0)  42 CA(1.0)    0.0
                         (B)    3 SI  63 O (0.0)  43 CA(1.0)    0.0
                         (B)    4 SI  64 O (0.0)  44 CA(1.0)    0.0
                         (B)    5 SI  65 O (0.0)  45 CA(1.0)    0.0
                         (B)    6 SI  66 O (0.0)  46 CA(1.0)    0.0
                         (B)    7 SI  67 O (0.0)  47 CA(1.0)    0.0
                         (B)    8 SI  68 O (0.0)  48 CA(1.0)    0.0
                         (B)   61 O   33 CA(0.4)  27 CA(0.6)    0.0
                         (B)   34 CA  62 O (0.4)  28 CA(0.6)    0.0
                         (B)   63 O   35 CA(0.4)  25 CA(0.6)    0.0
                         (B)   36 CA  64 O (0.4)  26 CA(0.6)    0.0
                         (B)   65 O   37 CA(0.4)  23 CA(0.6)    0.0
                         (B)   38 CA  66 O (0.4)  24 CA(0.6)    0.0
                         (B)   39 CA  67 O (0.4)  21 CA(0.6)    0.0
                         (B)   40 CA  68 O (0.4)  22 CA(0.6)    0.0
                         (B)   41 CA  61 O (0.5)   1 SI(0.5)    0.0
                         (B)   42 CA  62 O (0.5)   2 SI(0.5)    0.0
                         (B)   43 CA  63 O (0.5)   3 SI(0.5)    0.0
                         (B)   44 CA  64 O (0.5)   4 SI(0.5)    0.0
                         (B)   45 CA  65 O (0.5)   5 SI(0.5)    0.0
                         (B)   46 CA  66 O (0.5)   6 SI(0.5)    0.0
                         (B)   47 CA  67 O (0.5)   7 SI(0.5)    0.0
                         (B)   48 CA  68 O (0.5)   8 SI(0.5)    0.0
  229    424.7262  (AU )
                         (S)   53 O   29 CA(0.9)                0.0
                         (S)   54 O   30 CA(0.9)                0.0
                         (S)   58 O   30 CA(0.9)                0.0
                         (S)   59 O   31 CA(0.9)                0.0
                         (S)   56 O   32 CA(0.9)                0.0
                         (S)   60 O   32 CA(0.9)                0.0
  230    425.0032  (B2U)
                         (S)   53 O   29 CA(0.9)                0.0
                         (S)   54 O   30 CA(0.9)                0.0
                         (S)   58 O   30 CA(0.9)                0.0
                         (S)   59 O   31 CA(0.9)                0.0
                         (S)   56 O   32 CA(0.9)                0.0
                         (S)   60 O   32 CA(0.9)                0.0
  231    425.6804  (AU )
                         (B)  101 O   17 SI(0.0) 104 O (1.0)    0.0
                         (B)  104 O   17 SI(0.0)  52 CA(1.0)    0.0
                         (B)  102 O   18 SI(0.0)  51 CA(1.0)    0.0
                         (B)  103 O   18 SI(0.0) 102 O (1.0)    0.0
                         (B)  105 O   19 SI(0.0)  50 CA(1.0)    0.0
                         (B)  108 O   19 SI(0.0) 105 O (1.0)    0.0
                         (B)  106 O   20 SI(0.0)  49 CA(1.0)    0.0
                         (B)  107 O   20 SI(0.0)  49 CA(1.0)    0.0
                         (S)   93 O   33 CA(1.0)                0.0
                         (S)   94 O   34 CA(1.0)                0.0
                         (S)   95 O   35 CA(1.0)                0.0
                         (S)   96 O   36 CA(1.0)                0.0
                         (S)   97 O   37 CA(1.0)                0.0
                         (S)   98 O   38 CA(1.0)                0.0
                         (S)   99 O   39 CA(1.0)                0.0
                         (S)  100 O   40 CA(1.0)                0.0
  232    427.8219  (B3G)
                         (B)   17 SI 101 O (0.0)  47 CA(1.0)    0.0
                         (B)   17 SI 104 O (0.0)  46 CA(1.0)    0.0
                         (B)   18 SI 102 O (0.0)  48 CA(1.0)    0.0
                         (B)   18 SI 103 O (0.0)  45 CA(1.0)    0.0
                         (B)   19 SI 105 O (0.0)  43 CA(1.0)    0.0
                         (B)   19 SI 108 O (0.0)  42 CA(1.0)    0.0
                         (B)   20 SI 106 O (0.0)  44 CA(1.0)    0.0
                         (B)   20 SI 107 O (0.0)  41 CA(1.0)    0.0
                         (S)   61 O   33 CA(0.7)  47 CA(0.3)    0.0
                         (S)   93 O   33 CA(0.9)                0.0
                         (S)   62 O   34 CA(0.7)  48 CA(0.3)    0.0
                         (S)   94 O   34 CA(0.9)                0.0
                         (S)   63 O   35 CA(0.7)  45 CA(0.3)    0.0
                         (S)   95 O   35 CA(0.9)                0.0
                         (S)   64 O   36 CA(0.7)  46 CA(0.3)    0.0
                         (S)   96 O   36 CA(0.9)                0.0
                         (S)   65 O   37 CA(0.7)  43 CA(0.3)    0.0
                         (S)   97 O   37 CA(0.9)                0.0
                         (S)   66 O   38 CA(0.7)  44 CA(0.3)    0.0
                         (S)   98 O   38 CA(0.9)                0.0
                         (S)   67 O   39 CA(0.7)  41 CA(0.3)    0.0
                         (S)   99 O   39 CA(0.9)                0.0
                         (S)   68 O   40 CA(0.7)  42 CA(0.3)    0.0
                         (S)  100 O   40 CA(0.9)                0.0
  233    428.9413  (B1U)
                         (B)   85 O    9 SI(0.0)  93 O (0.9)    0.0
                         (B)   86 O   10 SI(0.0)  94 O (0.9)    0.0
                         (B)   87 O   11 SI(0.0)  95 O (0.9)    0.0
                         (B)   88 O   12 SI(0.0)  96 O (0.9)    0.0
                         (B)   89 O   13 SI(0.0)  97 O (0.9)    0.0
                         (B)   90 O   14 SI(0.0)  98 O (0.9)    0.0
                         (B)   91 O   15 SI(0.0)  99 O (0.9)    0.0
                         (B)   92 O   16 SI(0.0) 100 O (0.9)    0.0
                         (B)  117 O   17 SI(0.0) 101 O (0.9)    0.0
                         (B)  120 O   17 SI(0.0) 104 O (0.9)    0.0
                         (B)  118 O   18 SI(0.0) 102 O (0.9)    0.0
                         (B)  119 O   18 SI(0.0) 103 O (0.9)    0.0
                         (B)  121 O   19 SI(0.0) 105 O (0.9)    0.0
                         (B)  124 O   19 SI(0.0) 108 O (0.9)    0.0
                         (B)  122 O   20 SI(0.0) 106 O (0.9)    0.0
                         (B)  123 O   20 SI(0.0) 107 O (0.9)    0.0
  234    429.7775  (B2G)
                         (B)   53 O    1 SI(0.0)  29 CA(0.9)    0.0
                         (B)   54 O    2 SI(0.0)  30 CA(0.9)    0.0
                         (O)   55 O    3 SI(0.0)  71 O (0.8)    0.0
                         (B)   56 O    4 SI(0.0)  32 CA(0.9)    0.0
                         (O)   57 O    5 SI(0.0)  73 O (0.8)    0.0
                         (B)   58 O    6 SI(0.0)  30 CA(0.9)    0.0
                         (B)    7 SI  59 O (0.0)  31 CA(0.9)    0.0
                         (B)   60 O    8 SI(0.0)  32 CA(0.9)    0.0
                         (B)   53 O   21 CA(0.4)  33 CA(0.6)    0.0
                         (S)   67 O   21 CA(0.6)  83 O (0.4)    0.0
                         (B)   85 O   21 CA(0.2)  33 CA(0.7)    0.0
                         (B)   54 O   22 CA(0.4)  34 CA(0.6)    0.0
                         (S)   68 O   22 CA(0.6)  84 O (0.4)    0.0
                         (B)   22 CA  86 O (0.2)  34 CA(0.7)    0.0
                         (B)   55 O   23 CA(0.4)  35 CA(0.6)    0.0
                         (S)   65 O   23 CA(0.6)  81 O (0.4)    0.0
                         (B)   23 CA  87 O (0.2)  35 CA(0.7)    0.0
                         (B)   56 O   24 CA(0.4)  36 CA(0.6)    0.0
                         (S)   66 O   24 CA(0.6)  82 O (0.4)    0.0
                         (B)   24 CA  88 O (0.2)  36 CA(0.7)    0.0
                         (B)   57 O   25 CA(0.4)  37 CA(0.6)    0.0
                         (S)   63 O   25 CA(0.6)  79 O (0.4)    0.0
                         (B)   25 CA  89 O (0.2)  37 CA(0.7)    0.0
                         (B)   58 O   26 CA(0.4)  38 CA(0.6)    0.0
                         (S)   64 O   26 CA(0.6)  80 O (0.4)    0.0
                         (B)   90 O   26 CA(0.2)  38 CA(0.7)    0.0
                         (B)   59 O   27 CA(0.4)  39 CA(0.6)    0.0
                         (S)   61 O   27 CA(0.6)  77 O (0.4)    0.0
                         (B)   91 O   27 CA(0.2)  39 CA(0.7)    0.0
                         (B)   60 O   28 CA(0.4)  40 CA(0.6)    0.0
                         (S)   62 O   28 CA(0.6)  78 O (0.4)    0.0
                         (B)   28 CA  92 O (0.2)  40 CA(0.7)    0.0
                         (S)   53 O   29 CA(0.8)  33 CA(0.2)    0.0
                         (S)   54 O   30 CA(0.8)  34 CA(0.2)    0.0
                         (S)   58 O   30 CA(0.8)  34 CA(0.2)    0.0
                         (S)   59 O   31 CA(0.8)  39 CA(0.2)    0.0
                         (S)   56 O   32 CA(0.8)  36 CA(0.2)    0.0
                         (S)   60 O   32 CA(0.8)  36 CA(0.2)    0.0
                         (B)   33 CA  53 O (0.2)  29 CA(0.8)    0.0
                         (B)   61 O   33 CA(0.3) 109 O (0.7)    0.0
                         (B)   34 CA  54 O (0.2)  30 CA(0.8)    0.0
                         (B)   62 O   34 CA(0.3) 110 O (0.7)    0.0
                         (B)   55 O   35 CA(0.2)  50 CA(0.8)    0.0
                         (B)   63 O   35 CA(0.3) 111 O (0.7)    0.0
                         (B)   56 O   36 CA(0.2)  32 CA(0.8)    0.0
                         (B)   64 O   36 CA(0.3) 112 O (0.7)    0.0
                         (B)   57 O   37 CA(0.2)  51 CA(0.8)    0.0
                         (B)   65 O   37 CA(0.3) 113 O (0.7)    0.0
                         (B)   38 CA  58 O (0.2)  30 CA(0.8)    0.0
                         (B)   66 O   38 CA(0.3) 114 O (0.7)    0.0
                         (B)   59 O   39 CA(0.2)  31 CA(0.8)    0.0
                         (B)   67 O   39 CA(0.3) 115 O (0.7)    0.0
                         (B)   60 O   40 CA(0.2)  32 CA(0.8)    0.0
                         (B)   68 O   40 CA(0.3) 116 O (0.7)    0.0
                         (S)   41 CA  61 O (0.5)   1 SI(0.4)    0.0
                         (S)   42 CA  62 O (0.5)   2 SI(0.4)    0.0
                         (S)   43 CA  63 O (0.5)   3 SI(0.4)    0.0
                         (S)   44 CA  64 O (0.5)   4 SI(0.4)    0.0
                         (S)   45 CA  65 O (0.5)   5 SI(0.4)    0.0
                         (S)   46 CA  66 O (0.5)   6 SI(0.4)    0.0
                         (S)   47 CA  67 O (0.5)   7 SI(0.4)    0.0
                         (S)   48 CA  68 O (0.5)   8 SI(0.4)    0.0
  235    432.3780  (B2U)
                         (B)  117 O   17 SI(0.0) 101 O (1.0)    0.0
                         (B)  120 O   17 SI(0.0) 104 O (1.0)    0.0
                         (B)  118 O   18 SI(0.0) 102 O (1.0)   -0.1
                         (B)  119 O   18 SI(0.0) 103 O (1.0)    0.0
                         (B)  121 O   19 SI(0.0) 105 O (1.0)    0.0
                         (B)  124 O   19 SI(0.0) 108 O (1.0)    0.0
                         (B)  122 O   20 SI(0.0) 106 O (1.0)    0.0
                         (B)  123 O   20 SI(0.0) 107 O (1.0)    0.0
  236    434.5570  (B1G)
                         (B)   85 O    9 SI(0.0)  93 O (1.0)    0.0
                         (B)   86 O   10 SI(0.0)  94 O (1.0)    0.0
                         (B)   87 O   11 SI(0.0)  95 O (1.0)    0.0
                         (B)   88 O   12 SI(0.0)  96 O (1.0)    0.0
                         (B)   89 O   13 SI(0.0)  97 O (1.0)    0.0
                         (B)   90 O   14 SI(0.0)  98 O (1.0)    0.0
                         (B)   91 O   15 SI(0.0)  99 O (1.0)    0.0
                         (B)   92 O   16 SI(0.0) 100 O (1.0)    0.0
                         (B)  117 O   17 SI(0.0) 101 O (1.0)    0.0
                         (B)  120 O   17 SI(0.0) 104 O (1.0)    0.0
                         (B)  118 O   18 SI(0.0) 102 O (1.0)   -0.1
                         (B)  119 O   18 SI(0.0) 103 O (1.0)    0.0
                         (B)  121 O   19 SI(0.0) 105 O (1.0)    0.0
                         (B)  124 O   19 SI(0.0) 108 O (1.0)    0.0
                         (B)  122 O   20 SI(0.0) 106 O (1.0)    0.0
                         (B)  123 O   20 SI(0.0) 107 O (1.0)    0.0
  237    435.2622  (B2G)
                         (B)    9 SI  85 O (0.0)  33 CA(1.0)    0.0
                         (B)  109 O    9 SI(0.0)  93 O (1.0)    0.0
                         (B)   10 SI  86 O (0.0)  34 CA(1.0)    0.0
                         (B)  110 O   10 SI(0.0)  94 O (1.0)    0.0
                         (B)   11 SI  87 O (0.0)  35 CA(1.0)    0.0
                         (B)  111 O   11 SI(0.0)  95 O (1.0)    0.0
                         (B)   88 O   12 SI(0.0)  36 CA(1.0)    0.0
                         (B)  112 O   12 SI(0.0)  96 O (1.0)    0.0
                         (B)   13 SI  89 O (0.0)  37 CA(1.0)    0.0
                         (B)  113 O   13 SI(0.0)  97 O (1.0)    0.0
                         (B)   14 SI  90 O (0.0)  38 CA(1.0)    0.0
                         (B)  114 O   14 SI(0.0)  98 O (1.0)    0.0
                         (B)   15 SI  91 O (0.0)  39 CA(1.0)    0.0
                         (B)  115 O   15 SI(0.0)  99 O (1.0)    0.0
                         (B)   16 SI  92 O (0.0)  40 CA(1.0)    0.0
                         (B)  116 O   16 SI(0.0) 100 O (1.0)    0.0
                         (B)  117 O   17 SI(0.0) 101 O (0.9)    0.0
                         (B)  120 O   17 SI(0.0) 104 O (0.9)    0.0
                         (B)  118 O   18 SI(0.0) 102 O (0.9)    0.0
                         (B)  119 O   18 SI(0.0) 103 O (0.9)    0.0
                         (B)  121 O   19 SI(0.0) 105 O (0.9)    0.0
                         (B)  124 O   19 SI(0.0) 108 O (0.9)    0.0
                         (B)  122 O   20 SI(0.0) 106 O (0.9)    0.0
                         (B)  123 O   20 SI(0.0) 107 O (0.9)    0.0
  238    437.1145  (B1U)
                         (S)   53 O   29 CA(0.7)  33 CA(0.2)    0.0
                         (S)   54 O   30 CA(0.7)  34 CA(0.2)    0.0
                         (S)   58 O   30 CA(0.7)  34 CA(0.2)    0.0
                         (S)   59 O   31 CA(0.7)  39 CA(0.2)    0.0
                         (S)   56 O   32 CA(0.7)  36 CA(0.2)    0.0
                         (S)   60 O   32 CA(0.7)  36 CA(0.2)    0.0
                         (B)   33 CA  53 O (0.4)  29 CA(0.6)    0.0
                         (B)   34 CA  54 O (0.4)  30 CA(0.6)    0.0
                         (B)   55 O   35 CA(0.4)  50 CA(0.5)    0.0
                         (B)   56 O   36 CA(0.4)  32 CA(0.6)    0.0
                         (B)   57 O   37 CA(0.4)  51 CA(0.5)    0.0
                         (B)   38 CA  58 O (0.4)  30 CA(0.6)    0.0
                         (B)   59 O   39 CA(0.4)  31 CA(0.6)    0.0
                         (B)   60 O   40 CA(0.4)  32 CA(0.6)    0.0
  239    437.1926  (AG )
                         (B)   53 O    1 SI(0.0)  29 CA(0.9)    0.0
                         (B)   54 O    2 SI(0.0)  30 CA(0.9)    0.0
                         (O)   55 O    3 SI(0.0)  71 O (0.8)    0.0
                         (B)   56 O    4 SI(0.0)  32 CA(0.9)    0.0
                         (O)   57 O    5 SI(0.0)  73 O (0.8)    0.0
                         (B)   58 O    6 SI(0.0)  30 CA(0.9)    0.0
                         (B)    7 SI  59 O (0.0)  31 CA(0.9)    0.0
                         (B)   60 O    8 SI(0.0)  32 CA(0.9)    0.0
                         (B)   93 O    9 SI(0.0)  47 CA(1.0)    0.0
                         (B)   94 O   10 SI(0.0)  48 CA(1.0)    0.0
                         (B)   95 O   11 SI(0.0)  45 CA(1.0)    0.0
                         (B)   96 O   12 SI(0.0)  46 CA(1.0)    0.0
                         (B)   97 O   13 SI(0.0)  43 CA(1.0)    0.0
                         (B)   98 O   14 SI(0.0)  44 CA(1.0)    0.0
                         (B)   99 O   15 SI(0.0)  41 CA(1.0)    0.0
                         (B)  100 O   16 SI(0.0)  42 CA(1.0)    0.0
                         (B)   53 O   21 CA(0.3)  33 CA(0.7)    0.0
                         (B)   54 O   22 CA(0.3)  34 CA(0.7)    0.0
                         (B)   55 O   23 CA(0.3)  35 CA(0.7)    0.0
                         (B)   56 O   24 CA(0.3)  36 CA(0.7)    0.0
                         (B)   57 O   25 CA(0.3)  37 CA(0.7)    0.0
                         (B)   58 O   26 CA(0.3)  38 CA(0.7)    0.0
                         (B)   59 O   27 CA(0.3)  39 CA(0.7)    0.0
                         (B)   60 O   28 CA(0.3)  40 CA(0.7)    0.0
                         (S)   29 CA  53 O (0.8)  33 CA(0.1)    0.0
                         (S)   30 CA  54 O (0.8)  34 CA(0.1)    0.0
                         (S)   58 O   30 CA(0.8)  34 CA(0.1)    0.0
                         (S)   59 O   31 CA(0.8)  39 CA(0.1)    0.0
                         (S)   56 O   32 CA(0.8)  36 CA(0.1)    0.0
                         (S)   60 O   32 CA(0.8)  36 CA(0.1)    0.0
                         (B)   33 CA  53 O (0.2)  29 CA(0.7)    0.0
                         (S)   93 O   33 CA(0.8)  29 CA(0.2)    0.0
                         (B)   34 CA  54 O (0.2)  30 CA(0.7)    0.0
                         (S)   94 O   34 CA(0.8)  30 CA(0.2)    0.0
                         (B)   55 O   35 CA(0.2)  50 CA(0.7)    0.0
                         (S)   95 O   35 CA(0.8)  50 CA(0.2)    0.0
                         (B)   56 O   36 CA(0.2)  32 CA(0.7)    0.0
                         (S)   96 O   36 CA(0.8)  32 CA(0.2)    0.0
                         (B)   57 O   37 CA(0.2)  51 CA(0.7)    0.0
                         (S)   37 CA  97 O (0.8)  51 CA(0.2)    0.0
                         (B)   38 CA  58 O (0.2)  30 CA(0.7)    0.0
                         (S)   98 O   38 CA(0.8)  30 CA(0.2)    0.0
                         (B)   59 O   39 CA(0.2)  31 CA(0.7)    0.0
                         (S)   99 O   39 CA(0.8)  31 CA(0.2)    0.0
                         (B)   60 O   40 CA(0.2)  32 CA(0.7)    0.0
                         (S)  100 O   40 CA(0.8)  32 CA(0.2)    0.0
                         (S)   41 CA  61 O (0.6)   1 SI(0.4)    0.0
                         (S)   42 CA  62 O (0.6)   2 SI(0.4)    0.0
                         (S)   43 CA  63 O (0.6)   3 SI(0.4)    0.0
                         (S)   44 CA  64 O (0.6)   4 SI(0.4)    0.0
                         (S)   45 CA  65 O (0.6)   5 SI(0.4)    0.0
                         (S)   46 CA  66 O (0.6)   6 SI(0.4)    0.0
                         (S)   47 CA  67 O (0.6)   7 SI(0.4)    0.0
                         (S)   48 CA  68 O (0.6)   8 SI(0.4)    0.0
  240    439.0354  (B3U)
                         (S)   29 CA  53 O (0.8)  33 CA(0.2)    0.0
                         (S)   30 CA  54 O (0.8)  34 CA(0.2)    0.0
                         (S)   58 O   30 CA(0.8)  34 CA(0.2)    0.0
                         (S)   31 CA  59 O (0.8)  39 CA(0.2)    0.0
                         (S)   56 O   32 CA(0.8)  36 CA(0.2)    0.0
                         (S)   32 CA  60 O (0.8)  40 CA(0.2)    0.0
                         (B)   33 CA  53 O (0.4)  29 CA(0.6)    0.0
                         (B)   34 CA  54 O (0.4)  30 CA(0.6)    0.0
                         (B)   55 O   35 CA(0.4)  50 CA(0.5)    0.0
                         (B)   56 O   36 CA(0.4)  32 CA(0.6)    0.0
                         (B)   57 O   37 CA(0.4)  51 CA(0.5)    0.0
                         (B)   38 CA  58 O (0.4)  30 CA(0.6)    0.0
                         (B)   59 O   39 CA(0.4)  31 CA(0.6)    0.0
                         (B)   60 O   40 CA(0.4)  32 CA(0.6)    0.0
  241    474.4083  (B2U)
                         (B)   93 O    9 SI(0.0) 101 O (1.0)    0.0
                         (O)    9 SI 109 O (0.0)  49 CA(0.8)    0.0
                         (B)   94 O   10 SI(0.0) 102 O (1.0)    0.0
                         (O)   10 SI 110 O (0.0)  50 CA(0.8)    0.0
                         (B)   95 O   11 SI(0.0) 103 O (1.0)    0.0
                         (O)   11 SI 111 O (0.0)  50 CA(0.8)    0.0
                         (B)   96 O   12 SI(0.0) 104 O (1.0)    0.0
                         (O)   12 SI 112 O (0.0)  49 CA(0.8)    0.0
                         (B)   97 O   13 SI(0.0) 105 O (1.0)    0.0
                         (O)   13 SI 113 O (0.0)  51 CA(0.8)    0.0
                         (B)   98 O   14 SI(0.0) 106 O (1.0)    0.0
                         (O)   14 SI 114 O (0.0)  52 CA(0.8)    0.0
                         (B)   99 O   15 SI(0.0) 107 O (1.0)    0.0
                         (O)   15 SI 115 O (0.0)  52 CA(0.8)    0.0
                         (B)  100 O   16 SI(0.0) 108 O (1.0)    0.0
                         (O)   16 SI 116 O (0.0)  51 CA(0.8)    0.0
  242    474.8151  (B1U)
                         (B)    9 SI  85 O (0.0)  21 CA(0.9)    0.0
                         (B)   93 O    9 SI(0.0) 101 O (1.0)    0.0
                         (O)    9 SI 109 O (0.0)  49 CA(0.8)    0.0
                         (B)   10 SI  86 O (0.0)  22 CA(0.9)    0.0
                         (B)   94 O   10 SI(0.0) 102 O (1.0)    0.0
                         (O)   10 SI 110 O (0.0)  50 CA(0.8)    0.0
                         (B)   11 SI  87 O (0.0)  23 CA(0.9)    0.0
                         (B)   95 O   11 SI(0.0) 103 O (1.0)    0.0
                         (O)   11 SI 111 O (0.0)  50 CA(0.8)    0.0
                         (B)   12 SI  88 O (0.0)  24 CA(0.9)    0.0
                         (B)   96 O   12 SI(0.0) 104 O (1.0)    0.0
                         (O)   12 SI 112 O (0.0)  49 CA(0.8)    0.0
                         (B)   13 SI  89 O (0.0)  25 CA(0.9)    0.0
                         (B)   97 O   13 SI(0.0) 105 O (1.0)    0.0
                         (O)   13 SI 113 O (0.0)  51 CA(0.8)    0.0
                         (B)   14 SI  90 O (0.0)  26 CA(0.9)    0.0
                         (B)   98 O   14 SI(0.0) 106 O (1.0)    0.0
                         (O)   14 SI 114 O (0.0)  52 CA(0.8)    0.0
                         (B)   15 SI  91 O (0.0)  27 CA(0.9)    0.0
                         (B)   99 O   15 SI(0.0) 107 O (1.0)    0.0
                         (O)   15 SI 115 O (0.0)  52 CA(0.8)    0.0
                         (B)   16 SI  92 O (0.0)  28 CA(0.9)    0.0
                         (B)  100 O   16 SI(0.0) 108 O (1.0)    0.0
                         (O)   16 SI 116 O (0.0)  51 CA(0.8)    0.0
  243    475.7333  (AU )
                         (B)    9 SI  85 O (0.0)  21 CA(1.0)    0.0
                         (B)    9 SI  93 O (0.0)  49 CA(1.0)    0.0
                         (B)   10 SI  86 O (0.0)  22 CA(1.0)    0.0
                         (B)   10 SI  94 O (0.0)  50 CA(1.0)    0.0
                         (B)   11 SI  87 O (0.0)  23 CA(1.0)    0.0
                         (B)   11 SI  95 O (0.0)  50 CA(1.0)    0.0
                         (B)   12 SI  88 O (0.0)  24 CA(1.0)    0.0
                         (B)   12 SI  96 O (0.0)  49 CA(1.0)    0.0
                         (B)   13 SI  89 O (0.0)  25 CA(1.0)    0.0
                         (B)   13 SI  97 O (0.0)  51 CA(1.0)    0.0
                         (B)   14 SI  90 O (0.0)  26 CA(1.0)    0.0
                         (B)   14 SI  98 O (0.0)  52 CA(1.0)    0.0
                         (B)   15 SI  91 O (0.0)  27 CA(1.0)    0.0
                         (B)   15 SI  99 O (0.0)  52 CA(1.0)    0.0
                         (B)   16 SI  92 O (0.0)  28 CA(1.0)    0.0
                         (B)   16 SI 100 O (0.0)  51 CA(1.0)    0.0
  244    476.4296  (B1G)
                         (B)   93 O    9 SI(0.0) 101 O (1.0)    0.0
                         (B)   94 O   10 SI(0.0) 102 O (1.0)    0.0
                         (B)   95 O   11 SI(0.0) 103 O (1.0)    0.0
                         (B)   96 O   12 SI(0.0) 104 O (1.0)    0.0
                         (B)   97 O   13 SI(0.0) 105 O (1.0)    0.0
                         (B)   98 O   14 SI(0.0) 106 O (1.0)    0.0
                         (B)   99 O   15 SI(0.0) 107 O (1.0)    0.0
                         (B)  100 O   16 SI(0.0) 108 O (1.0)    0.0
  245    477.1485  (B3G)
                         (B)    9 SI  85 O (0.0)  21 CA(1.0)    0.0
                         (B)    9 SI  93 O (0.0)  49 CA(1.0)    0.0
                         (B)   10 SI  86 O (0.0)  22 CA(1.0)    0.0
                         (B)   10 SI  94 O (0.0)  50 CA(1.0)    0.0
                         (B)   11 SI  87 O (0.0)  23 CA(1.0)    0.0
                         (B)   11 SI  95 O (0.0)  50 CA(1.0)    0.0
                         (B)   12 SI  88 O (0.0)  24 CA(1.0)    0.0
                         (B)   12 SI  96 O (0.0)  49 CA(1.0)    0.0
                         (B)   13 SI  89 O (0.0)  25 CA(1.0)    0.0
                         (B)   13 SI  97 O (0.0)  51 CA(1.0)    0.0
                         (B)   14 SI  90 O (0.0)  26 CA(1.0)    0.0
                         (B)   14 SI  98 O (0.0)  52 CA(1.0)    0.0
                         (B)   15 SI  91 O (0.0)  27 CA(1.0)    0.0
                         (B)   15 SI  99 O (0.0)  52 CA(1.0)    0.0
                         (B)   16 SI  92 O (0.0)  28 CA(1.0)    0.0
                         (B)   16 SI 100 O (0.0)  51 CA(1.0)    0.0
  246    481.3716  (AG )
                         (B)   85 O    9 SI(0.0) 109 O (1.0)    0.0
                         (B)   86 O   10 SI(0.0) 110 O (1.0)    0.0
                         (B)   87 O   11 SI(0.0) 111 O (1.0)    0.0
                         (B)   88 O   12 SI(0.0) 112 O (1.0)    0.0
                         (B)   89 O   13 SI(0.0) 113 O (1.0)    0.0
                         (B)   90 O   14 SI(0.0) 114 O (1.0)    0.0
                         (B)   91 O   15 SI(0.0) 115 O (1.0)    0.0
                         (B)   92 O   16 SI(0.0) 116 O (1.0)    0.0
  247    481.8967  (B3U)
                         (B)   85 O    9 SI(0.0) 109 O (1.0)    0.0
                         (B)   86 O   10 SI(0.0) 110 O (1.0)    0.0
                         (B)   87 O   11 SI(0.0) 111 O (1.0)    0.0
                         (B)   88 O   12 SI(0.0) 112 O (1.0)    0.0
                         (B)   89 O   13 SI(0.0) 113 O (1.0)    0.0
                         (B)   90 O   14 SI(0.0) 114 O (1.0)    0.0
                         (B)   91 O   15 SI(0.0) 115 O (1.0)    0.0
                         (B)   92 O   16 SI(0.0) 116 O (1.0)    0.0
  248    494.0620  (AU )
                         (O)   53 O    1 SI(0.0)  61 O (0.7)    0.0
                         (O)   54 O    2 SI(0.0)  62 O (0.7)    0.0
                         (O)   55 O    3 SI(0.0)  63 O (0.7)    0.0
                         (O)   56 O    4 SI(0.0)  64 O (0.7)    0.0
                         (O)   57 O    5 SI(0.0)  65 O (0.7)    0.0
                         (O)   58 O    6 SI(0.0)  66 O (0.7)    0.0
                         (O)   59 O    7 SI(0.0)  67 O (0.7)    0.0
                         (O)   60 O    8 SI(0.0)  68 O (0.7)    0.0
  249    501.9864  (B3G)
                         (O)   61 O    1 SI(0.0)  53 O (0.7)    0.0
                         (O)   62 O    2 SI(0.0)  54 O (0.7)    0.0
                         (O)   63 O    3 SI(0.0)  55 O (0.7)    0.0
                         (O)   64 O    4 SI(0.0)  56 O (0.7)    0.0
                         (O)   65 O    5 SI(0.0)  57 O (0.7)    0.0
                         (O)   66 O    6 SI(0.0)  58 O (0.7)    0.0
                         (O)   67 O    7 SI(0.0)  59 O (0.7)    0.0
                         (O)   68 O    8 SI(0.0)  60 O (0.7)    0.0
                         (B)   85 O    9 SI(0.0)  93 O (1.0)    0.0
                         (B)   86 O   10 SI(0.0)  94 O (1.0)    0.0
                         (B)   87 O   11 SI(0.0)  95 O (1.0)    0.0
                         (B)   88 O   12 SI(0.0)  96 O (1.0)    0.0
                         (B)   89 O   13 SI(0.0)  97 O (1.0)    0.0
                         (B)   90 O   14 SI(0.0)  98 O (1.0)    0.0
                         (B)   91 O   15 SI(0.0)  99 O (1.0)    0.0
                         (B)   92 O   16 SI(0.0) 100 O (1.0)    0.0
  250    505.5825  (B2U)
                         (O)   69 O    1 SI(0.0)  61 O (0.7)    0.0
                         (B)   77 O    1 SI(0.0)  29 CA(1.0)    0.0
                         (O)   70 O    2 SI(0.0)  62 O (0.7)    0.0
                         (B)   78 O    2 SI(0.0)  30 CA(1.0)    0.0
                         (O)   71 O    3 SI(0.0)  63 O (0.7)    0.0
                         (B)   79 O    3 SI(0.0)  63 O (0.9)    0.0
                         (O)   72 O    4 SI(0.0)  64 O (0.7)    0.0
                         (B)   80 O    4 SI(0.0)  32 CA(1.0)    0.0
                         (O)   73 O    5 SI(0.0)  65 O (0.7)    0.0
                         (B)   81 O    5 SI(0.0)  65 O (0.9)    0.0
                         (O)   74 O    6 SI(0.0)  66 O (0.7)    0.0
                         (B)   82 O    6 SI(0.0)  30 CA(1.0)    0.0
                         (O)   75 O    7 SI(0.0)  67 O (0.7)    0.0
                         (B)   83 O    7 SI(0.0)  31 CA(1.0)    0.0
                         (O)   76 O    8 SI(0.0)  68 O (0.7)    0.0
                         (B)   84 O    8 SI(0.0)  32 CA(1.0)    0.0
  251    506.6420  (B2G)
                         (B)    9 SI  85 O (0.0)  21 CA(1.0)    0.0
                         (B)   93 O    9 SI(0.0)  47 CA(1.0)    0.0
                         (B)   10 SI  86 O (0.0)  22 CA(1.0)    0.0
                         (B)   94 O   10 SI(0.0)  48 CA(1.0)    0.0
                         (B)   11 SI  87 O (0.0)  23 CA(1.0)    0.0
                         (B)   95 O   11 SI(0.0)  45 CA(1.0)    0.0
                         (B)   12 SI  88 O (0.0)  24 CA(1.0)    0.0
                         (B)   96 O   12 SI(0.0)  46 CA(1.0)    0.0
                         (B)   13 SI  89 O (0.0)  25 CA(1.0)    0.0
                         (B)   97 O   13 SI(0.0)  43 CA(1.0)    0.0
                         (B)   14 SI  90 O (0.0)  26 CA(1.0)    0.0
                         (B)   98 O   14 SI(0.0)  44 CA(1.0)    0.0
                         (B)   15 SI  91 O (0.0)  27 CA(1.0)    0.0
                         (B)   99 O   15 SI(0.0)  41 CA(1.0)    0.0
                         (B)   16 SI  92 O (0.0)  28 CA(1.0)    0.0
                         (B)  100 O   16 SI(0.0)  42 CA(1.0)    0.0
  252    511.1668  (B1U)
                         (B)   93 O    9 SI(0.0) 109 O (1.0)    0.0
                         (B)   94 O   10 SI(0.0) 110 O (1.0)    0.0
                         (B)   95 O   11 SI(0.0) 111 O (1.0)    0.0
                         (B)   96 O   12 SI(0.0) 112 O (1.0)    0.0
                         (B)   97 O   13 SI(0.0) 113 O (1.0)    0.0
                         (B)   98 O   14 SI(0.0) 114 O (1.0)    0.0
                         (B)   99 O   15 SI(0.0) 115 O (1.0)    0.0
                         (B)  100 O   16 SI(0.0) 116 O (1.0)    0.0
  253    511.5707  (B3U)
                         (O)   85 O    9 SI(0.0) 101 O (0.8)    0.0
                         (B)  109 O    9 SI(0.0)  47 CA(0.9)    0.0
                         (O)   86 O   10 SI(0.0) 102 O (0.8)   -0.1
                         (B)  110 O   10 SI(0.0)  48 CA(0.9)    0.0
                         (O)   87 O   11 SI(0.0) 103 O (0.8)    0.0
                         (B)  111 O   11 SI(0.0)  45 CA(0.9)    0.0
                         (O)   88 O   12 SI(0.0) 104 O (0.8)    0.0
                         (B)  112 O   12 SI(0.0)  46 CA(0.9)    0.0
                         (O)   89 O   13 SI(0.0) 105 O (0.8)    0.0
                         (B)  113 O   13 SI(0.0)  43 CA(0.9)    0.0
                         (O)   90 O   14 SI(0.0) 106 O (0.8)    0.0
                         (B)  114 O   14 SI(0.0)  44 CA(0.9)    0.0
                         (O)   91 O   15 SI(0.0) 107 O (0.8)    0.0
                         (B)  115 O   15 SI(0.0)  41 CA(0.9)    0.0
                         (O)   92 O   16 SI(0.0) 108 O (0.8)   -0.1
                         (B)  116 O   16 SI(0.0)  42 CA(0.9)    0.0
  254    511.8613  (AG )
                         (O)   85 O    9 SI(0.0) 101 O (0.8)    0.0
                         (B)  109 O    9 SI(0.0)  47 CA(1.0)    0.0
                         (O)   86 O   10 SI(0.0) 102 O (0.8)   -0.1
                         (B)  110 O   10 SI(0.0)  48 CA(1.0)    0.0
                         (O)   87 O   11 SI(0.0) 103 O (0.8)    0.0
                         (B)  111 O   11 SI(0.0)  45 CA(1.0)    0.0
                         (O)   88 O   12 SI(0.0) 104 O (0.8)    0.0
                         (B)  112 O   12 SI(0.0)  46 CA(1.0)    0.0
                         (O)   89 O   13 SI(0.0) 105 O (0.8)    0.0
                         (B)  113 O   13 SI(0.0)  43 CA(1.0)    0.0
                         (O)   90 O   14 SI(0.0) 106 O (0.8)    0.0
                         (B)  114 O   14 SI(0.0)  44 CA(1.0)    0.0
                         (O)   91 O   15 SI(0.0) 107 O (0.8)    0.0
                         (B)  115 O   15 SI(0.0)  41 CA(1.0)    0.0
                         (O)   92 O   16 SI(0.0) 108 O (0.8)   -0.1
                         (B)  116 O   16 SI(0.0)  42 CA(1.0)    0.0
  255    512.4200  (AU )
                         (O)   69 O    1 SI(0.0)  53 O (0.8)    0.0
                         (O)   70 O    2 SI(0.0)  54 O (0.8)    0.0
                         (O)   71 O    3 SI(0.0)  55 O (0.8)    0.0
                         (O)   72 O    4 SI(0.0)  56 O (0.8)    0.0
                         (O)   73 O    5 SI(0.0)  57 O (0.8)    0.0
                         (O)   74 O    6 SI(0.0)  58 O (0.8)    0.0
                         (O)   75 O    7 SI(0.0)  59 O (0.8)    0.0
                         (O)   76 O    8 SI(0.0)  60 O (0.8)    0.0
  256    516.3669  (B2U)
                         (B)   93 O    9 SI(0.0)  33 CA(0.9)    0.0
                         (B)   94 O   10 SI(0.0)  34 CA(0.9)    0.0
                         (B)   11 SI  95 O (0.0)  35 CA(0.9)    0.0
                         (B)   96 O   12 SI(0.0)  36 CA(0.9)    0.0
                         (B)   97 O   13 SI(0.0)  37 CA(0.9)    0.0
                         (B)   98 O   14 SI(0.0)  38 CA(0.9)    0.0
                         (B)   15 SI  99 O (0.0)  39 CA(0.9)    0.0
                         (B)   16 SI 100 O (0.0)  40 CA(0.9)    0.0
  257    516.5965  (B1G)
                         (B)   93 O    9 SI(0.0) 109 O (0.9)    0.0
                         (B)   94 O   10 SI(0.0) 110 O (0.9)    0.0
                         (B)   95 O   11 SI(0.0) 111 O (0.9)    0.0
                         (B)   96 O   12 SI(0.0) 112 O (0.9)    0.0
                         (B)   97 O   13 SI(0.0) 113 O (0.9)    0.0
                         (B)   98 O   14 SI(0.0) 114 O (0.9)    0.0
                         (B)   99 O   15 SI(0.0) 115 O (0.9)    0.0
                         (B)  100 O   16 SI(0.0) 116 O (0.9)    0.0
  258    519.1391  (B3U)
                         (O)   69 O    1 SI(0.0)  61 O (0.7)    0.0
                         (O)   70 O    2 SI(0.0)  62 O (0.7)    0.0
                         (O)   71 O    3 SI(0.0)  63 O (0.7)    0.0
                         (O)   72 O    4 SI(0.0)  64 O (0.7)    0.0
                         (O)   73 O    5 SI(0.0)  65 O (0.7)    0.0
                         (O)   74 O    6 SI(0.0)  66 O (0.7)    0.0
                         (O)   75 O    7 SI(0.0)  67 O (0.7)    0.0
                         (O)   76 O    8 SI(0.0)  68 O (0.7)    0.0
  259    519.7789  (B1U)
                         (O)   61 O    1 SI(0.0)  53 O (0.8)    0.0
                         (O)   69 O    1 SI(0.0)  53 O (0.7)    0.0
                         (O)   62 O    2 SI(0.0)  54 O (0.8)    0.0
                         (O)   70 O    2 SI(0.0)  54 O (0.7)    0.0
                         (O)   63 O    3 SI(0.0)  55 O (0.8)    0.0
                         (O)   71 O    3 SI(0.0)  55 O (0.7)    0.0
                         (O)   64 O    4 SI(0.0)  56 O (0.8)    0.0
                         (O)   72 O    4 SI(0.0)  56 O (0.7)    0.0
                         (O)   65 O    5 SI(0.0)  57 O (0.8)    0.0
                         (O)   73 O    5 SI(0.0)  57 O (0.7)    0.0
                         (O)   66 O    6 SI(0.0)  58 O (0.8)    0.0
                         (O)   74 O    6 SI(0.0)  58 O (0.7)    0.0
                         (O)   67 O    7 SI(0.0)  59 O (0.8)    0.0
                         (O)   75 O    7 SI(0.0)  59 O (0.7)    0.0
                         (O)   68 O    8 SI(0.0)  60 O (0.8)    0.0
                         (O)   76 O    8 SI(0.0)  60 O (0.7)    0.0
  260    522.2610  (AU )
                         (O)  101 O    9 SI(0.1)  93 O (0.7)    0.0
                         (O)  102 O   10 SI(0.1)  94 O (0.7)    0.0
                         (O)  103 O   11 SI(0.1)  95 O (0.7)    0.0
                         (O)  104 O   12 SI(0.1)  96 O (0.7)    0.0
                         (O)  105 O   13 SI(0.1)  97 O (0.7)    0.0
                         (O)  106 O   14 SI(0.1)  98 O (0.7)    0.0
                         (O)  107 O   15 SI(0.1)  99 O (0.7)    0.0
                         (O)  108 O   16 SI(0.1) 100 O (0.7)    0.0
  261    522.9970  (B3G)
                         (O)  101 O    9 SI(0.1)  93 O (0.7)    0.0
                         (O)  102 O   10 SI(0.1)  94 O (0.7)    0.0
                         (O)  103 O   11 SI(0.1)  95 O (0.7)    0.0
                         (O)  104 O   12 SI(0.1)  96 O (0.7)    0.0
                         (O)  105 O   13 SI(0.1)  97 O (0.7)    0.0
                         (O)  106 O   14 SI(0.1)  98 O (0.7)    0.0
                         (O)  107 O   15 SI(0.1)  99 O (0.7)    0.0
                         (O)  108 O   16 SI(0.1) 100 O (0.7)    0.0
  262    529.8605  (B2U)
                         (O)   61 O    1 SI(0.0)  53 O (0.7)    0.0
                         (O)   62 O    2 SI(0.0)  54 O (0.7)    0.0
                         (O)   63 O    3 SI(0.0)  55 O (0.7)    0.0
                         (O)   64 O    4 SI(0.0)  56 O (0.7)    0.0
                         (O)   65 O    5 SI(0.0)  57 O (0.7)    0.0
                         (O)   66 O    6 SI(0.0)  58 O (0.7)    0.0
                         (O)   67 O    7 SI(0.0)  59 O (0.7)    0.0
                         (O)   68 O    8 SI(0.0)  60 O (0.7)    0.0
  263    530.8781  (B1G)
                         (O)   61 O    1 SI(0.0)  53 O (0.7)    0.0
                         (O)   62 O    2 SI(0.0)  54 O (0.7)    0.0
                         (O)   63 O    3 SI(0.0)  55 O (0.7)    0.0
                         (O)   64 O    4 SI(0.0)  56 O (0.7)    0.0
                         (O)   65 O    5 SI(0.0)  57 O (0.7)    0.0
                         (O)   66 O    6 SI(0.0)  58 O (0.7)    0.0
                         (O)   67 O    7 SI(0.0)  59 O (0.7)    0.0
                         (O)   68 O    8 SI(0.0)  60 O (0.7)    0.0
  264    531.1399  (B2G)
                         (O)   61 O    1 SI(0.0)  53 O (0.7)    0.0
                         (O)   62 O    2 SI(0.0)  54 O (0.7)    0.0
                         (O)   63 O    3 SI(0.0)  55 O (0.7)    0.0
                         (O)   64 O    4 SI(0.0)  56 O (0.7)    0.0
                         (O)   65 O    5 SI(0.0)  57 O (0.7)    0.0
                         (O)   66 O    6 SI(0.0)  58 O (0.7)    0.0
                         (O)   67 O    7 SI(0.0)  59 O (0.7)    0.0
                         (O)   68 O    8 SI(0.0)  60 O (0.7)    0.0
  265    532.8455  (AG )
                         (O)   61 O    1 SI(0.0)  53 O (0.7)    0.0
                         (O)   62 O    2 SI(0.0)  54 O (0.7)    0.0
                         (O)   63 O    3 SI(0.0)  55 O (0.7)    0.0
                         (O)   64 O    4 SI(0.0)  56 O (0.7)    0.0
                         (O)   65 O    5 SI(0.0)  57 O (0.7)    0.0
                         (O)   66 O    6 SI(0.0)  58 O (0.7)    0.0
                         (O)   67 O    7 SI(0.0)  59 O (0.7)    0.0
                         (O)   68 O    8 SI(0.0)  60 O (0.7)    0.0
  266    535.1347  (B2G)
                         (O)  101 O    9 SI(0.0)  93 O (0.8)    0.0
                         (O)  102 O   10 SI(0.0)  94 O (0.8)    0.0
                         (O)  103 O   11 SI(0.0)  95 O (0.8)    0.0
                         (O)  104 O   12 SI(0.0)  96 O (0.8)    0.0
                         (O)  105 O   13 SI(0.0)  97 O (0.8)    0.0
                         (O)  106 O   14 SI(0.0)  98 O (0.8)    0.0
                         (O)  107 O   15 SI(0.0)  99 O (0.8)    0.0
                         (O)  108 O   16 SI(0.0) 100 O (0.8)    0.0
  267    538.7437  (B3U)
                         (O)   53 O    1 SI(0.0)  61 O (0.7)    0.0
                         (O)   61 O    1 SI(0.0)  69 O (0.7)    0.0
                         (O)   54 O    2 SI(0.0)  62 O (0.7)    0.0
                         (O)   62 O    2 SI(0.0)  70 O (0.7)    0.0
                         (O)   55 O    3 SI(0.0)  63 O (0.7)    0.0
                         (O)   63 O    3 SI(0.0)  71 O (0.7)    0.0
                         (O)   56 O    4 SI(0.0)  64 O (0.7)    0.0
                         (O)   64 O    4 SI(0.0)  72 O (0.7)    0.0
                         (O)   57 O    5 SI(0.0)  65 O (0.7)    0.0
                         (O)   65 O    5 SI(0.0)  73 O (0.7)    0.0
                         (O)   58 O    6 SI(0.0)  66 O (0.7)    0.0
                         (O)   66 O    6 SI(0.0)  74 O (0.7)    0.0
                         (O)   59 O    7 SI(0.0)  67 O (0.7)    0.0
                         (O)   67 O    7 SI(0.0)  75 O (0.7)    0.0
                         (O)   60 O    8 SI(0.0)  68 O (0.7)    0.0
                         (O)   68 O    8 SI(0.0)  76 O (0.7)    0.0
                         (B)   93 O    9 SI(0.0)  85 O (1.0)    0.0
                         (B)  101 O    9 SI(0.0)  85 O (1.0)    0.0
                         (B)   94 O   10 SI(0.0)  86 O (1.0)    0.0
                         (B)  102 O   10 SI(0.0)  86 O (1.0)    0.0
                         (B)   95 O   11 SI(0.0)  87 O (1.0)    0.0
                         (B)  103 O   11 SI(0.0)  87 O (1.0)    0.0
                         (B)   96 O   12 SI(0.0)  88 O (1.0)    0.0
                         (B)  104 O   12 SI(0.0)  88 O (1.0)    0.0
                         (B)   97 O   13 SI(0.0)  89 O (1.0)    0.0
                         (B)  105 O   13 SI(0.0)  89 O (1.0)    0.0
                         (B)   98 O   14 SI(0.0)  90 O (1.0)    0.0
                         (B)  106 O   14 SI(0.0)  90 O (1.0)    0.0
                         (B)   99 O   15 SI(0.0)  91 O (1.0)    0.0
                         (B)  107 O   15 SI(0.0)  91 O (1.0)    0.0
                         (B)  100 O   16 SI(0.0)  92 O (1.0)    0.0
                         (B)  108 O   16 SI(0.0)  92 O (1.0)    0.0
                         (S)   53 O   29 CA(0.6)  77 O (0.4)    0.0
                         (S)   54 O   30 CA(0.6)  78 O (0.4)    0.0
                         (S)   58 O   30 CA(0.6)  82 O (0.4)    0.0
                         (S)   59 O   31 CA(0.6)  83 O (0.4)    0.0
                         (S)   56 O   32 CA(0.6)  80 O (0.4)    0.0
                         (S)   60 O   32 CA(0.6)  80 O (0.4)    0.0
                         (S)   53 O   33 CA(0.5)  29 CA(0.4)    0.0
                         (S)   54 O   34 CA(0.5)  30 CA(0.4)    0.0
                         (S)   55 O   35 CA(0.5)  50 CA(0.4)    0.0
                         (S)   36 CA  56 O (0.5)  32 CA(0.4)    0.0
                         (S)   57 O   37 CA(0.5)  51 CA(0.4)    0.0
                         (S)   38 CA  58 O (0.5)  30 CA(0.4)    0.0
                         (S)   39 CA  59 O (0.5)  31 CA(0.4)    0.0
                         (S)   60 O   40 CA(0.5)  32 CA(0.4)    0.0
  268    539.5544  (B1U)
                         (O)   53 O    1 SI(0.0)  69 O (0.8)    0.0
                         (O)   54 O    2 SI(0.0)  70 O (0.8)    0.0
                         (O)   55 O    3 SI(0.0)  71 O (0.8)    0.0
                         (O)   56 O    4 SI(0.0)  72 O (0.8)    0.0
                         (O)   57 O    5 SI(0.0)  73 O (0.8)    0.0
                         (O)   58 O    6 SI(0.0)  74 O (0.8)    0.0
                         (O)   59 O    7 SI(0.0)  75 O (0.8)    0.0
                         (O)   60 O    8 SI(0.0)  76 O (0.8)    0.0
                         (B)  101 O    9 SI(0.0)  93 O (0.9)    0.0
                         (B)  102 O   10 SI(0.0)  94 O (0.9)    0.0
                         (B)  103 O   11 SI(0.0)  95 O (0.9)    0.0
                         (B)  104 O   12 SI(0.0)  96 O (0.9)    0.0
                         (B)  105 O   13 SI(0.0)  97 O (0.9)    0.0
                         (B)  106 O   14 SI(0.0)  98 O (0.9)    0.0
                         (B)  107 O   15 SI(0.0)  99 O (0.9)    0.0
                         (B)  108 O   16 SI(0.0) 100 O (0.9)    0.0
                         (B)  117 O   17 SI(0.0) 101 O (1.0)    0.0
                         (B)  120 O   17 SI(0.0) 104 O (1.0)    0.0
                         (B)  118 O   18 SI(0.0) 102 O (1.0)    0.0
                         (B)  119 O   18 SI(0.0) 103 O (1.0)    0.0
                         (B)  121 O   19 SI(0.0) 105 O (1.0)    0.0
                         (B)  124 O   19 SI(0.0) 108 O (1.0)    0.0
                         (B)  122 O   20 SI(0.0) 106 O (1.0)    0.0
                         (B)  123 O   20 SI(0.0) 107 O (1.0)    0.0
  269    544.3762  (AG )
                         (B)   93 O    9 SI(0.0)  85 O (1.0)    0.0
                         (B)   94 O   10 SI(0.0)  86 O (1.0)    0.0
                         (B)   95 O   11 SI(0.0)  87 O (1.0)    0.0
                         (B)   96 O   12 SI(0.0)  88 O (1.0)    0.0
                         (B)   97 O   13 SI(0.0)  89 O (1.0)    0.0
                         (B)   98 O   14 SI(0.0)  90 O (1.0)    0.0
                         (B)   99 O   15 SI(0.0)  91 O (1.0)    0.0
                         (B)  100 O   16 SI(0.0)  92 O (1.0)    0.0
  270    548.3487  (B2G)
                         (B)   53 O    1 SI(0.0)  61 O (0.9)    0.0
                         (B)   54 O    2 SI(0.0)  62 O (0.9)    0.0
                         (B)   55 O    3 SI(0.0)  63 O (0.9)    0.0
                         (B)   56 O    4 SI(0.0)  64 O (0.9)    0.0
                         (B)   57 O    5 SI(0.0)  65 O (0.9)    0.0
                         (B)   58 O    6 SI(0.0)  66 O (0.9)    0.0
                         (B)   59 O    7 SI(0.0)  67 O (0.9)    0.0
                         (B)   60 O    8 SI(0.0)  68 O (0.9)    0.0
  271    550.2777  (B3U)
                         (B)   93 O    9 SI(0.0)  85 O (0.9)    0.0
                         (B)   94 O   10 SI(0.0)  86 O (0.9)    0.0
                         (B)   95 O   11 SI(0.0)  87 O (0.9)    0.0
                         (B)   96 O   12 SI(0.0)  88 O (0.9)    0.0
                         (B)   97 O   13 SI(0.0)  89 O (0.9)    0.0
                         (B)   98 O   14 SI(0.0)  90 O (0.9)    0.0
                         (B)   99 O   15 SI(0.0)  91 O (0.9)    0.0
                         (B)  100 O   16 SI(0.0)  92 O (0.9)    0.0
  272    554.4653  (AG )
                         (B)   53 O    1 SI(0.0)  61 O (0.9)    0.0
                         (B)   54 O    2 SI(0.0)  62 O (0.9)    0.0
                         (B)   55 O    3 SI(0.0)  63 O (0.9)    0.0
                         (B)   56 O    4 SI(0.0)  64 O (0.9)    0.0
                         (B)   57 O    5 SI(0.0)  65 O (0.9)    0.0
                         (B)   58 O    6 SI(0.0)  66 O (0.9)    0.0
                         (B)   59 O    7 SI(0.0)  67 O (0.9)    0.0
                         (B)   60 O    8 SI(0.0)  68 O (0.9)    0.0
  273    555.2985  (AU )
                         (B)   53 O    1 SI(0.0)  29 CA(1.0)    0.0
                         (B)    1 SI  61 O (0.0)  27 CA(1.0)    0.0
                         (B)   54 O    2 SI(0.0)  30 CA(1.0)    0.0
                         (B)   62 O    2 SI(0.0)  28 CA(1.0)    0.0
                         (B)   55 O    3 SI(0.0)  71 O (0.9)    0.0
                         (B)    3 SI  63 O (0.0)  25 CA(1.0)    0.0
                         (B)   56 O    4 SI(0.0)  32 CA(1.0)    0.0
                         (B)   64 O    4 SI(0.0)  26 CA(1.0)    0.0
                         (B)   57 O    5 SI(0.0)  73 O (0.9)    0.0
                         (B)    5 SI  65 O (0.0)  23 CA(1.0)    0.0
                         (B)   58 O    6 SI(0.0)  30 CA(1.0)    0.0
                         (B)   66 O    6 SI(0.0)  24 CA(1.0)    0.0
                         (B)   59 O    7 SI(0.0)  31 CA(1.0)    0.0
                         (B)   67 O    7 SI(0.0)  21 CA(1.0)    0.0
                         (B)   60 O    8 SI(0.0)  32 CA(1.0)    0.0
                         (B)   68 O    8 SI(0.0)  22 CA(1.0)    0.0
  274    556.3728  (B1G)
                         (B)   53 O    1 SI(0.0)  61 O (0.9)    0.0
                         (B)   69 O    1 SI(0.0)  61 O (0.9)    0.0
                         (B)   54 O    2 SI(0.0)  62 O (0.9)    0.0
                         (B)   70 O    2 SI(0.0)  62 O (0.9)    0.0
                         (B)   55 O    3 SI(0.0)  63 O (0.9)    0.0
                         (B)   71 O    3 SI(0.0)  63 O (0.9)    0.0
                         (B)   56 O    4 SI(0.0)  64 O (0.9)    0.0
                         (B)   72 O    4 SI(0.0)  64 O (0.9)    0.0
                         (B)   57 O    5 SI(0.0)  65 O (0.9)    0.0
                         (B)   73 O    5 SI(0.0)  65 O (0.9)    0.0
                         (B)   58 O    6 SI(0.0)  66 O (0.9)    0.0
                         (B)   74 O    6 SI(0.0)  66 O (0.9)    0.0
                         (B)   59 O    7 SI(0.0)  67 O (0.9)    0.0
                         (B)   75 O    7 SI(0.0)  67 O (0.9)    0.0
                         (B)   60 O    8 SI(0.0)  68 O (0.9)    0.0
                         (B)   76 O    8 SI(0.0)  68 O (0.9)    0.0
  275    556.4420  (B3G)
                         (B)   53 O    1 SI(0.0)  61 O (0.9)    0.0
                         (B)   69 O    1 SI(0.0)  61 O (0.9)    0.0
                         (B)   54 O    2 SI(0.0)  62 O (0.9)    0.0
                         (B)   70 O    2 SI(0.0)  62 O (0.9)    0.0
                         (B)   55 O    3 SI(0.0)  63 O (0.9)    0.0
                         (B)   71 O    3 SI(0.0)  63 O (0.9)    0.0
                         (B)   56 O    4 SI(0.0)  64 O (0.9)    0.0
                         (B)   72 O    4 SI(0.0)  64 O (0.9)    0.0
                         (B)   57 O    5 SI(0.0)  65 O (0.9)    0.0
                         (B)   73 O    5 SI(0.0)  65 O (0.9)    0.0
                         (B)   58 O    6 SI(0.0)  66 O (0.9)    0.0
                         (B)   74 O    6 SI(0.0)  66 O (0.9)    0.0
                         (B)   59 O    7 SI(0.0)  67 O (0.9)    0.0
                         (B)   75 O    7 SI(0.0)  67 O (0.9)    0.0
                         (B)   60 O    8 SI(0.0)  68 O (0.9)    0.0
                         (B)   76 O    8 SI(0.0)  68 O (0.9)    0.0
  276    558.6831  (B3G)
                         (B)   61 O    1 SI(0.0)  69 O (0.9)    0.0
                         (B)   62 O    2 SI(0.0)  70 O (0.9)    0.0
                         (B)   63 O    3 SI(0.0)  71 O (0.9)    0.0
                         (B)   64 O    4 SI(0.0)  72 O (0.9)    0.0
                         (B)   65 O    5 SI(0.0)  73 O (0.9)    0.0
                         (B)   66 O    6 SI(0.0)  74 O (0.9)    0.0
                         (B)   67 O    7 SI(0.0)  75 O (0.9)    0.0
                         (B)   68 O    8 SI(0.0)  76 O (0.9)    0.0
  277    560.4148  (B2U)
                         (B)   53 O    1 SI(0.0)  77 O (1.0)    0.0
                         (B)   61 O    1 SI(0.0)  77 O (1.0)    0.0
                         (B)   54 O    2 SI(0.0)  78 O (1.0)    0.0
                         (B)   62 O    2 SI(0.0)  78 O (1.0)    0.0
                         (B)   55 O    3 SI(0.0)  79 O (1.0)    0.0
                         (B)   63 O    3 SI(0.0)  79 O (1.0)    0.0
                         (B)   56 O    4 SI(0.0)  80 O (1.0)    0.0
                         (B)   64 O    4 SI(0.0)  80 O (1.0)    0.0
                         (B)   57 O    5 SI(0.0)  81 O (1.0)    0.0
                         (B)   65 O    5 SI(0.0)  81 O (1.0)    0.0
                         (B)   58 O    6 SI(0.0)  82 O (1.0)    0.0
                         (B)   66 O    6 SI(0.0)  82 O (1.0)    0.0
                         (B)   59 O    7 SI(0.0)  83 O (1.0)    0.0
                         (B)   67 O    7 SI(0.0)  83 O (1.0)    0.0
                         (B)   60 O    8 SI(0.0)  84 O (1.0)    0.0
                         (B)   68 O    8 SI(0.0)  84 O (1.0)    0.0
  278    561.2695  (B1U)
                         (B)   53 O    1 SI(0.0)  77 O (1.0)    0.0
                         (B)    1 SI  61 O (0.0)  41 CA(1.0)    0.0
                         (B)   54 O    2 SI(0.0)  78 O (1.0)    0.0
                         (B)    2 SI  62 O (0.0)  42 CA(1.0)    0.0
                         (B)   55 O    3 SI(0.0)  79 O (1.0)    0.0
                         (B)    3 SI  63 O (0.0)  43 CA(1.0)    0.0
                         (B)   56 O    4 SI(0.0)  80 O (1.0)    0.0
                         (B)    4 SI  64 O (0.0)  44 CA(1.0)    0.0
                         (B)   57 O    5 SI(0.0)  81 O (1.0)    0.0
                         (B)    5 SI  65 O (0.0)  45 CA(1.0)    0.0
                         (B)   58 O    6 SI(0.0)  82 O (1.0)    0.0
                         (B)    6 SI  66 O (0.0)  46 CA(1.0)    0.0
                         (B)   59 O    7 SI(0.0)  83 O (1.0)    0.0
                         (B)    7 SI  67 O (0.0)  47 CA(1.0)    0.0
                         (B)   60 O    8 SI(0.0)  84 O (1.0)    0.0
                         (B)    8 SI  68 O (0.0)  48 CA(1.0)    0.0
  279    562.7512  (B3U)
                         (B)    1 SI  53 O (0.0)  21 CA(1.0)    0.0
                         (B)   61 O    1 SI(0.0)  77 O (1.0)    0.0
                         (B)   69 O    1 SI(0.0)  33 CA(1.0)    0.0
                         (B)    2 SI  54 O (0.0)  22 CA(1.0)    0.0
                         (B)   62 O    2 SI(0.0)  78 O (1.0)    0.0
                         (B)   70 O    2 SI(0.0)  34 CA(1.0)    0.0
                         (B)    3 SI  55 O (0.0)  23 CA(1.0)    0.0
                         (B)   63 O    3 SI(0.0)  79 O (1.0)    0.0
                         (B)   71 O    3 SI(0.0)  35 CA(1.0)    0.0
                         (B)    4 SI  56 O (0.0)  24 CA(1.0)    0.0
                         (B)   64 O    4 SI(0.0)  80 O (1.0)    0.0
                         (B)   72 O    4 SI(0.0)  36 CA(1.0)    0.0
                         (B)    5 SI  57 O (0.0)  25 CA(1.0)    0.0
                         (B)   65 O    5 SI(0.0)  81 O (1.0)    0.0
                         (B)   73 O    5 SI(0.0)  37 CA(1.0)    0.0
                         (B)    6 SI  58 O (0.0)  26 CA(1.0)    0.0
                         (B)   66 O    6 SI(0.0)  82 O (1.0)    0.0
                         (B)   74 O    6 SI(0.0)  38 CA(1.0)    0.0
                         (B)    7 SI  59 O (0.0)  27 CA(1.0)    0.0
                         (B)   67 O    7 SI(0.0)  83 O (1.0)    0.0
                         (B)   75 O    7 SI(0.0)  39 CA(1.0)    0.0
                         (B)    8 SI  60 O (0.0)  28 CA(1.0)    0.0
                         (B)   68 O    8 SI(0.0)  84 O (1.0)    0.0
                         (B)   76 O    8 SI(0.0)  40 CA(1.0)    0.0
  280    562.8203  (AU )
                         (B)    1 SI  53 O (0.0)  21 CA(0.9)    0.0
                         (B)   61 O    1 SI(0.0)  29 CA(0.9)    0.0
                         (B)    2 SI  54 O (0.0)  22 CA(0.9)    0.0
                         (B)   62 O    2 SI(0.0)  30 CA(0.9)    0.0
                         (B)    3 SI  55 O (0.0)  23 CA(0.9)    0.0
                         (B)   63 O    3 SI(0.0)  79 O (0.9)    0.0
                         (B)    4 SI  56 O (0.0)  24 CA(0.9)    0.0
                         (B)   64 O    4 SI(0.0)  32 CA(0.9)    0.0
                         (B)    5 SI  57 O (0.0)  25 CA(0.9)    0.0
                         (B)   65 O    5 SI(0.0)  81 O (0.9)    0.0
                         (B)    6 SI  58 O (0.0)  26 CA(0.9)    0.0
                         (B)   66 O    6 SI(0.0)  30 CA(0.9)    0.0
                         (B)    7 SI  59 O (0.0)  27 CA(0.9)    0.0
                         (B)   67 O    7 SI(0.0)  31 CA(0.9)    0.0
                         (B)    8 SI  60 O (0.0)  28 CA(0.9)    0.0
                         (B)   68 O    8 SI(0.0)  32 CA(0.9)    0.0
  281    566.4043  (B2G)
                         (B)   53 O    1 SI(0.0)  29 CA(1.0)    0.0
                         (B)    1 SI  61 O (0.0)  41 CA(1.0)    0.0
                         (B)   54 O    2 SI(0.0)  30 CA(1.0)    0.0
                         (B)    2 SI  62 O (0.0)  42 CA(1.0)    0.0
                         (B)   55 O    3 SI(0.0)  71 O (0.9)    0.0
                         (B)    3 SI  63 O (0.0)  43 CA(1.0)    0.0
                         (B)   56 O    4 SI(0.0)  32 CA(1.0)    0.0
                         (B)    4 SI  64 O (0.0)  44 CA(1.0)    0.0
                         (B)   57 O    5 SI(0.0)  73 O (0.9)    0.0
                         (B)    5 SI  65 O (0.0)  45 CA(1.0)    0.0
                         (B)   58 O    6 SI(0.0)  30 CA(1.0)    0.0
                         (B)    6 SI  66 O (0.0)  46 CA(1.0)    0.0
                         (B)   59 O    7 SI(0.0)  31 CA(1.0)    0.0
                         (B)    7 SI  67 O (0.0)  47 CA(1.0)    0.0
                         (B)    8 SI  60 O (0.0)  32 CA(1.0)    0.0
                         (B)    8 SI  68 O (0.0)  48 CA(1.0)    0.0
  282    566.6310  (AG )
                         (B)   53 O    1 SI(0.0)  77 O (0.9)    0.0
                         (B)   61 O    1 SI(0.0)  77 O (1.0)    0.0
                         (B)   54 O    2 SI(0.0)  78 O (0.9)    0.0
                         (B)   62 O    2 SI(0.0)  78 O (1.0)    0.0
                         (B)   55 O    3 SI(0.0)  79 O (0.9)    0.0
                         (B)   63 O    3 SI(0.0)  79 O (1.0)    0.0
                         (B)   56 O    4 SI(0.0)  80 O (0.9)    0.0
                         (B)   64 O    4 SI(0.0)  80 O (1.0)    0.0
                         (B)   57 O    5 SI(0.0)  81 O (0.9)    0.0
                         (B)   65 O    5 SI(0.0)  81 O (1.0)    0.0
                         (B)   58 O    6 SI(0.0)  82 O (0.9)    0.0
                         (B)   66 O    6 SI(0.0)  82 O (1.0)    0.0
                         (B)   59 O    7 SI(0.0)  83 O (0.9)    0.0
                         (B)   67 O    7 SI(0.0)  83 O (1.0)    0.0
                         (B)   60 O    8 SI(0.0)  84 O (0.9)    0.0
                         (B)   68 O    8 SI(0.0)  84 O (1.0)    0.0
  283    567.3808  (B1U)
                         (B)   85 O    9 SI(0.0)  93 O (0.9)    0.0
                         (B)  109 O    9 SI(0.0)  33 CA(1.0)    0.0
                         (B)   86 O   10 SI(0.0)  94 O (0.9)    0.0
                         (B)  110 O   10 SI(0.0)  34 CA(1.0)    0.0
                         (B)   87 O   11 SI(0.0)  95 O (0.9)    0.0
                         (B)  111 O   11 SI(0.0)  35 CA(1.0)    0.0
                         (B)   88 O   12 SI(0.0)  96 O (0.9)    0.0
                         (B)  112 O   12 SI(0.0)  36 CA(1.0)    0.0
                         (B)   89 O   13 SI(0.0)  97 O (0.9)    0.0
                         (B)  113 O   13 SI(0.0)  37 CA(1.0)    0.0
                         (B)   90 O   14 SI(0.0)  98 O (0.9)    0.0
                         (B)  114 O   14 SI(0.0)  38 CA(1.0)    0.0
                         (B)   91 O   15 SI(0.0)  99 O (0.9)    0.0
                         (B)  115 O   15 SI(0.0)  39 CA(1.0)    0.0
                         (B)   92 O   16 SI(0.0) 100 O (0.9)    0.0
                         (B)  116 O   16 SI(0.0)  40 CA(1.0)    0.0
                         (B)  101 O   17 SI(0.0) 117 O (0.9)    0.0
                         (B)  104 O   17 SI(0.0) 120 O (0.9)    0.0
                         (B)  102 O   18 SI(0.0) 118 O (0.9)    0.0
                         (B)  103 O   18 SI(0.0) 119 O (0.9)    0.0
                         (B)  105 O   19 SI(0.0) 121 O (0.9)    0.0
                         (B)  108 O   19 SI(0.0) 124 O (0.9)    0.0
                         (B)  106 O   20 SI(0.0) 122 O (0.9)    0.0
                         (B)  107 O   20 SI(0.0) 123 O (0.9)    0.0
  284    567.4507  (B2G)
                         (B)    1 SI  53 O (0.0)  21 CA(0.9)    0.0
                         (B)   61 O    1 SI(0.0)  29 CA(0.9)    0.0
                         (B)    2 SI  54 O (0.0)  22 CA(0.9)    0.0
                         (B)   62 O    2 SI(0.0)  30 CA(0.9)    0.0
                         (B)    3 SI  55 O (0.0)  23 CA(0.9)    0.0
                         (B)   63 O    3 SI(0.0)  79 O (0.9)    0.0
                         (B)    4 SI  56 O (0.0)  24 CA(0.9)    0.0
                         (B)   64 O    4 SI(0.0)  32 CA(0.9)    0.0
                         (B)    5 SI  57 O (0.0)  25 CA(0.9)    0.0
                         (B)   65 O    5 SI(0.0)  81 O (0.9)    0.0
                         (B)    6 SI  58 O (0.0)  26 CA(0.9)    0.0
                         (B)   66 O    6 SI(0.0)  30 CA(0.9)    0.0
                         (B)    7 SI  59 O (0.0)  27 CA(0.9)    0.0
                         (B)   67 O    7 SI(0.0)  31 CA(0.9)    0.0
                         (B)    8 SI  60 O (0.0)  28 CA(0.9)    0.0
                         (B)   68 O    8 SI(0.0)  32 CA(0.9)    0.0
                         (B)   85 O    9 SI(0.0)  93 O (0.9)    0.0
                         (B)  109 O    9 SI(0.0)  33 CA(1.0)    0.0
                         (B)   86 O   10 SI(0.0)  94 O (0.9)    0.0
                         (B)  110 O   10 SI(0.0)  34 CA(1.0)    0.0
                         (B)   87 O   11 SI(0.0)  95 O (0.9)    0.0
                         (B)  111 O   11 SI(0.0)  35 CA(1.0)    0.0
                         (B)   88 O   12 SI(0.0)  96 O (0.9)    0.0
                         (B)  112 O   12 SI(0.0)  36 CA(1.0)    0.0
                         (B)   89 O   13 SI(0.0)  97 O (0.9)    0.0
                         (B)  113 O   13 SI(0.0)  37 CA(1.0)    0.0
                         (B)   90 O   14 SI(0.0)  98 O (0.9)    0.0
                         (B)  114 O   14 SI(0.0)  38 CA(1.0)    0.0
                         (B)   91 O   15 SI(0.0)  99 O (0.9)    0.0
                         (B)  115 O   15 SI(0.0)  39 CA(1.0)    0.0
                         (B)   92 O   16 SI(0.0) 100 O (0.9)    0.0
                         (B)  116 O   16 SI(0.0)  40 CA(1.0)    0.0
  285    570.8591  (B1G)
                         (B)   53 O    1 SI(0.0)  29 CA(0.9)    0.0
                         (B)    1 SI  61 O (0.0)  27 CA(0.9)    0.0
                         (B)   54 O    2 SI(0.0)  30 CA(0.9)    0.0
                         (B)   62 O    2 SI(0.0)  28 CA(0.9)    0.0
                         (O)   55 O    3 SI(0.0)  71 O (0.8)    0.0
                         (B)   63 O    3 SI(0.0)  25 CA(0.9)    0.0
                         (B)   56 O    4 SI(0.0)  32 CA(0.9)    0.0
                         (B)   64 O    4 SI(0.0)  26 CA(0.9)    0.0
                         (O)   57 O    5 SI(0.0)  73 O (0.8)    0.0
                         (B)   65 O    5 SI(0.0)  23 CA(0.9)    0.0
                         (B)   58 O    6 SI(0.0)  30 CA(0.9)    0.0
                         (B)   66 O    6 SI(0.0)  24 CA(0.9)    0.0
                         (B)   59 O    7 SI(0.0)  31 CA(0.9)    0.0
                         (B)   67 O    7 SI(0.0)  21 CA(0.9)    0.0
                         (B)   60 O    8 SI(0.0)  32 CA(0.9)    0.0
                         (B)   68 O    8 SI(0.0)  22 CA(0.9)    0.0
  286    572.3712  (B2U)
                         (B)   85 O    9 SI(0.0)  93 O (0.9)    0.0
                         (B)  109 O    9 SI(0.0)  33 CA(1.0)    0.0
                         (B)   86 O   10 SI(0.0)  94 O (0.9)    0.0
                         (B)  110 O   10 SI(0.0)  34 CA(1.0)    0.0
                         (B)   87 O   11 SI(0.0)  95 O (0.9)    0.0
                         (B)  111 O   11 SI(0.0)  35 CA(1.0)    0.0
                         (B)   88 O   12 SI(0.0)  96 O (0.9)    0.0
                         (B)  112 O   12 SI(0.0)  36 CA(1.0)    0.0
                         (B)   89 O   13 SI(0.0)  97 O (0.9)    0.0
                         (B)  113 O   13 SI(0.0)  37 CA(1.0)    0.0
                         (B)   90 O   14 SI(0.0)  98 O (0.9)    0.0
                         (B)  114 O   14 SI(0.0)  38 CA(1.0)    0.0
                         (B)   91 O   15 SI(0.0)  99 O (0.9)    0.0
                         (B)  115 O   15 SI(0.0)  39 CA(1.0)    0.0
                         (B)   92 O   16 SI(0.0) 100 O (0.9)    0.0
                         (B)  116 O   16 SI(0.0)  40 CA(1.0)    0.0
  287    575.8888  (B3G)
                         (B)   53 O    1 SI(0.0)  77 O (1.0)    0.0
                         (B)   61 O    1 SI(0.0)  29 CA(1.0)    0.0
                         (B)   69 O    1 SI(0.0)  77 O (0.9)    0.0
                         (B)   54 O    2 SI(0.0)  78 O (1.0)    0.0
                         (B)   62 O    2 SI(0.0)  30 CA(1.0)    0.0
                         (B)   70 O    2 SI(0.0)  78 O (0.9)    0.0
                         (B)   55 O    3 SI(0.0)  79 O (1.0)    0.0
                         (B)   63 O    3 SI(0.0)  79 O (0.9)    0.0
                         (B)   71 O    3 SI(0.0)  79 O (0.9)    0.0
                         (B)   56 O    4 SI(0.0)  80 O (1.0)    0.0
                         (B)   64 O    4 SI(0.0)  32 CA(1.0)    0.0
                         (B)   72 O    4 SI(0.0)  80 O (0.9)    0.0
                         (B)   57 O    5 SI(0.0)  81 O (1.0)    0.0
                         (B)   65 O    5 SI(0.0)  81 O (0.9)    0.0
                         (B)   73 O    5 SI(0.0)  81 O (0.9)    0.0
                         (B)   58 O    6 SI(0.0)  82 O (1.0)    0.0
                         (B)   66 O    6 SI(0.0)  30 CA(1.0)    0.0
                         (B)   74 O    6 SI(0.0)  82 O (0.9)    0.0
                         (B)   59 O    7 SI(0.0)  83 O (1.0)    0.0
                         (B)   67 O    7 SI(0.0)  31 CA(1.0)    0.0
                         (B)   75 O    7 SI(0.0)  83 O (0.9)    0.0
                         (B)   60 O    8 SI(0.0)  84 O (1.0)    0.0
                         (B)   68 O    8 SI(0.0)  32 CA(1.0)    0.0
                         (B)   76 O    8 SI(0.0)  84 O (0.9)    0.0
  288    576.9706  (B3U)
                         (B)   17 SI 117 O (0.0)  52 CA(1.0)    0.0
                         (B)   17 SI 120 O (0.0)  52 CA(1.0)    0.0
                         (B)  118 O   18 SI(0.0)  51 CA(1.0)    0.0
                         (B)   18 SI 119 O (0.0)  51 CA(1.0)    0.0
                         (B)  121 O   19 SI(0.0) 124 O (1.0)    0.0
                         (B)  124 O   19 SI(0.0) 121 O (1.0)    0.0
                         (B)   20 SI 122 O (0.0)  49 CA(1.0)    0.0
                         (B)   20 SI 123 O (0.0)  49 CA(1.0)    0.0
  289    577.0266  (AG )
                         (B)   17 SI 117 O (0.0)  52 CA(1.0)    0.0
                         (B)  120 O   17 SI(0.0)  52 CA(1.0)    0.0
                         (B)  118 O   18 SI(0.0)  51 CA(1.0)    0.0
                         (B)   18 SI 119 O (0.0)  51 CA(1.0)    0.0
                         (B)  121 O   19 SI(0.0) 124 O (1.0)    0.0
                         (B)  124 O   19 SI(0.0) 121 O (1.0)    0.0
                         (B)   20 SI 122 O (0.0)  49 CA(1.0)    0.0
                         (B)   20 SI 123 O (0.0)  49 CA(1.0)    0.0
  290    577.7834  (B1G)
                         (B)   53 O    1 SI(0.0)  27 CA(1.0)    0.0
                         (B)   61 O    1 SI(0.0)  29 CA(0.9)    0.0
                         (B)   69 O    1 SI(0.0)  77 O (0.9)    0.0
                         (B)   54 O    2 SI(0.0)  28 CA(1.0)    0.0
                         (B)   62 O    2 SI(0.0)  30 CA(0.9)    0.0
                         (B)   70 O    2 SI(0.0)  78 O (0.9)    0.0
                         (B)   55 O    3 SI(0.0)  25 CA(1.0)    0.0
                         (B)   63 O    3 SI(0.0)  79 O (0.9)    0.0
                         (B)   71 O    3 SI(0.0)  79 O (0.9)    0.0
                         (B)   56 O    4 SI(0.0)  26 CA(1.0)    0.0
                         (B)   64 O    4 SI(0.0)  32 CA(0.9)    0.0
                         (B)   72 O    4 SI(0.0)  80 O (0.9)    0.0
                         (B)   57 O    5 SI(0.0)  23 CA(1.0)    0.0
                         (B)   65 O    5 SI(0.0)  81 O (0.9)    0.0
                         (B)   73 O    5 SI(0.0)  81 O (0.9)    0.0
                         (B)   58 O    6 SI(0.0)  24 CA(1.0)    0.0
                         (B)   66 O    6 SI(0.0)  30 CA(0.9)    0.0
                         (B)   74 O    6 SI(0.0)  82 O (0.9)    0.0
                         (B)   59 O    7 SI(0.0)  21 CA(1.0)    0.0
                         (B)   67 O    7 SI(0.0)  31 CA(0.9)    0.0
                         (B)   75 O    7 SI(0.0)  83 O (0.9)    0.0
                         (B)   60 O    8 SI(0.0)  22 CA(1.0)    0.0
                         (B)   68 O    8 SI(0.0)  32 CA(0.9)    0.0
                         (B)   76 O    8 SI(0.0)  84 O (0.9)    0.0
  291    588.5297  (AU )
                         (B)  101 O    9 SI(0.1) 109 O (0.8)    0.0
                         (B)  102 O   10 SI(0.1) 110 O (0.8)    0.0
                         (B)  103 O   11 SI(0.1) 111 O (0.8)    0.0
                         (B)  104 O   12 SI(0.1) 112 O (0.8)    0.0
                         (B)  105 O   13 SI(0.1) 113 O (0.8)    0.0
                         (B)  106 O   14 SI(0.1) 114 O (0.8)    0.0
                         (B)  107 O   15 SI(0.1) 115 O (0.8)    0.0
                         (B)  108 O   16 SI(0.1) 116 O (0.8)    0.0
  292    589.1088  (B3G)
                         (B)  101 O    9 SI(0.1) 109 O (0.8)    0.0
                         (B)  102 O   10 SI(0.1) 110 O (0.8)    0.0
                         (B)  103 O   11 SI(0.1) 111 O (0.8)    0.0
                         (B)  104 O   12 SI(0.1) 112 O (0.8)    0.0
                         (B)  105 O   13 SI(0.1) 113 O (0.8)    0.0
                         (B)  106 O   14 SI(0.1) 114 O (0.8)    0.0
                         (B)  107 O   15 SI(0.1) 115 O (0.8)    0.0
                         (B)  108 O   16 SI(0.1) 116 O (0.8)    0.0
                         (B)   17 SI 117 O (0.0)  52 CA(1.0)    0.0
                         (B)  120 O   17 SI(0.0)  52 CA(1.0)    0.0
                         (B)  118 O   18 SI(0.0)  51 CA(1.0)    0.0
                         (B)   18 SI 119 O (0.0)  51 CA(1.0)    0.0
                         (B)  121 O   19 SI(0.0) 124 O (1.0)    0.0
                         (B)  124 O   19 SI(0.0) 121 O (1.0)    0.0
                         (B)  122 O   20 SI(0.0)  49 CA(1.0)    0.0
                         (B)   20 SI 123 O (0.0)  49 CA(1.0)    0.0
  293    666.9557  (B3U)
                         (S)    9 SI 101 O (0.7)  17 SI(0.3)    0.0
                         (S)   10 SI 102 O (0.7)  18 SI(0.3)    0.0
                         (S)   11 SI 103 O (0.7)  18 SI(0.3)    0.0
                         (S)   12 SI 104 O (0.7)  17 SI(0.3)    0.0
                         (S)   13 SI 105 O (0.7)  19 SI(0.3)    0.0
                         (S)   14 SI 106 O (0.7)  20 SI(0.3)    0.0
                         (S)   15 SI 107 O (0.7)  20 SI(0.3)    0.0
                         (S)   16 SI 108 O (0.7)  19 SI(0.3)    0.0
  294    667.5615  (AG )
                         (S)    9 SI 101 O (0.7)  17 SI(0.3)    0.0
                         (S)   10 SI 102 O (0.7)  18 SI(0.3)    0.0
                         (S)   11 SI 103 O (0.7)  18 SI(0.3)    0.0
                         (S)   12 SI 104 O (0.7)  17 SI(0.3)    0.0
                         (S)   13 SI 105 O (0.7)  19 SI(0.3)    0.0
                         (S)   14 SI 106 O (0.7)  20 SI(0.3)    0.0
                         (S)   15 SI 107 O (0.7)  20 SI(0.3)    0.0
                         (S)   16 SI 108 O (0.7)  19 SI(0.3)    0.0
  295    678.3849  (B3G)
                         (S)    9 SI 101 O (0.7)  17 SI(0.2)    0.0
                         (S)   10 SI 102 O (0.7)  18 SI(0.2)    0.0
                         (S)   11 SI 103 O (0.7)  18 SI(0.2)    0.0
                         (S)   12 SI 104 O (0.7)  17 SI(0.2)    0.0
                         (S)   13 SI 105 O (0.7)  19 SI(0.2)    0.0
                         (S)   14 SI 106 O (0.7)  20 SI(0.2)    0.0
                         (S)   15 SI 107 O (0.7)  20 SI(0.2)    0.0
                         (S)   16 SI 108 O (0.7)  19 SI(0.2)    0.0
  296    678.4168  (AU )
                         (S)    9 SI 101 O (0.7)  17 SI(0.2)    0.0
                         (S)   10 SI 102 O (0.7)  18 SI(0.2)    0.0
                         (S)   11 SI 103 O (0.7)  18 SI(0.2)    0.0
                         (S)   12 SI 104 O (0.7)  17 SI(0.2)    0.0
                         (S)   13 SI 105 O (0.7)  19 SI(0.2)    0.0
                         (S)   14 SI 106 O (0.7)  20 SI(0.2)    0.0
                         (S)   15 SI 107 O (0.7)  20 SI(0.2)    0.0
                         (S)   16 SI 108 O (0.7)  19 SI(0.2)    0.0
  297    707.5177  (B1U)
                         (S)  101 O    9 SI(0.8)  33 CA(0.2)    0.0
                         (S)  102 O   10 SI(0.8)  34 CA(0.2)    0.0
                         (S)  103 O   11 SI(0.8)  35 CA(0.2)    0.0
                         (S)  104 O   12 SI(0.8)  36 CA(0.2)    0.0
                         (S)  105 O   13 SI(0.8)  37 CA(0.2)    0.0
                         (S)  106 O   14 SI(0.8)  38 CA(0.2)    0.0
                         (S)  107 O   15 SI(0.8)  39 CA(0.2)    0.0
                         (S)  108 O   16 SI(0.8)  40 CA(0.2)    0.0
                         (B)  101 O   17 SI(0.3) 120 O (0.7)    0.0
                         (B)  104 O   17 SI(0.3) 117 O (0.7)    0.0
                         (B)  102 O   18 SI(0.3) 119 O (0.7)    0.0
                         (B)  103 O   18 SI(0.3) 118 O (0.7)    0.0
                         (B)  105 O   19 SI(0.3) 124 O (0.7)    0.0
                         (B)  108 O   19 SI(0.3) 121 O (0.7)    0.0
                         (B)  106 O   20 SI(0.3) 123 O (0.7)    0.0
                         (B)  107 O   20 SI(0.3) 122 O (0.7)    0.0
  298    708.6275  (B2U)
                         (S)    9 SI 101 O (0.8)  17 SI(0.2)    0.0
                         (S)   10 SI 102 O (0.8)  18 SI(0.2)    0.0
                         (S)   11 SI 103 O (0.8)  18 SI(0.2)    0.0
                         (S)   12 SI 104 O (0.8)  17 SI(0.2)    0.0
                         (S)   13 SI 105 O (0.8)  19 SI(0.2)    0.0
                         (S)   14 SI 106 O (0.8)  20 SI(0.2)    0.0
                         (S)   15 SI 107 O (0.8)  20 SI(0.2)    0.0
                         (S)   16 SI 108 O (0.8)  19 SI(0.2)    0.0
                         (B)  101 O   17 SI(0.3) 120 O (0.7)    0.0
                         (B)  104 O   17 SI(0.3) 117 O (0.7)    0.0
                         (B)  102 O   18 SI(0.3) 119 O (0.7)    0.0
                         (B)  103 O   18 SI(0.3) 118 O (0.7)    0.0
                         (B)  105 O   19 SI(0.3) 124 O (0.7)    0.0
                         (B)  108 O   19 SI(0.3) 121 O (0.7)    0.0
                         (B)  106 O   20 SI(0.3) 123 O (0.7)    0.0
                         (B)  107 O   20 SI(0.3) 122 O (0.7)    0.0
  299    708.8290  (B2G)
                         (S)  101 O    9 SI(0.8)  33 CA(0.2)    0.0
                         (S)  102 O   10 SI(0.8)  34 CA(0.2)    0.0
                         (S)  103 O   11 SI(0.8)  35 CA(0.2)    0.0
                         (S)  104 O   12 SI(0.8)  36 CA(0.2)    0.0
                         (S)  105 O   13 SI(0.8)  37 CA(0.2)    0.0
                         (S)  106 O   14 SI(0.8)  38 CA(0.2)    0.0
                         (S)  107 O   15 SI(0.8)  39 CA(0.2)    0.0
                         (S)  108 O   16 SI(0.8)  40 CA(0.2)    0.0
                         (B)  101 O   17 SI(0.3) 120 O (0.7)    0.0
                         (B)  104 O   17 SI(0.3) 117 O (0.7)    0.0
                         (B)  102 O   18 SI(0.3) 119 O (0.7)    0.0
                         (B)  103 O   18 SI(0.3) 118 O (0.7)    0.0
                         (B)  105 O   19 SI(0.3) 124 O (0.7)    0.0
                         (B)  108 O   19 SI(0.3) 121 O (0.7)    0.0
                         (B)  106 O   20 SI(0.3) 123 O (0.7)    0.0
                         (B)  107 O   20 SI(0.3) 122 O (0.7)    0.0
  300    708.8821  (B1G)
                         (S)    9 SI 101 O (0.8)  17 SI(0.2)    0.0
                         (S)   10 SI 102 O (0.8)  18 SI(0.2)    0.0
                         (S)   11 SI 103 O (0.8)  18 SI(0.2)    0.0
                         (S)   12 SI 104 O (0.8)  17 SI(0.2)    0.0
                         (S)   13 SI 105 O (0.8)  19 SI(0.2)    0.0
                         (S)   14 SI 106 O (0.8)  20 SI(0.2)    0.0
                         (S)   15 SI 107 O (0.8)  20 SI(0.2)    0.0
                         (S)   16 SI 108 O (0.8)  19 SI(0.2)    0.0
                         (B)  101 O   17 SI(0.3) 120 O (0.7)    0.0
                         (B)  104 O   17 SI(0.3) 117 O (0.7)    0.0
                         (B)  102 O   18 SI(0.3) 119 O (0.7)    0.0
                         (B)  103 O   18 SI(0.3) 118 O (0.7)    0.0
                         (B)  105 O   19 SI(0.3) 124 O (0.7)    0.0
                         (B)  108 O   19 SI(0.3) 121 O (0.7)    0.0
                         (B)  106 O   20 SI(0.3) 123 O (0.7)    0.0
                         (B)  107 O   20 SI(0.3) 122 O (0.7)    0.0
  301    814.2881  (B2G)
                         (S)   53 O    1 SI(1.0)                0.0
                         (S)   54 O    2 SI(1.0)                0.0
                         (S)   55 O    3 SI(1.0)                0.0
                         (S)   56 O    4 SI(1.0)                0.0
                         (S)   57 O    5 SI(1.0)                0.0
                         (S)   58 O    6 SI(1.0)                0.0
                         (S)   59 O    7 SI(1.0)                0.0
                         (S)   60 O    8 SI(1.0)                0.0
  302    814.4241  (AG )
                         (S)   53 O    1 SI(1.0)                0.0
                         (S)   54 O    2 SI(1.0)                0.0
                         (S)   55 O    3 SI(1.0)                0.0
                         (S)   56 O    4 SI(1.0)                0.0
                         (S)   57 O    5 SI(1.0)                0.0
                         (S)   58 O    6 SI(1.0)                0.0
                         (S)   59 O    7 SI(1.0)                0.0
                         (S)   60 O    8 SI(1.0)                0.0
  303    815.9962  (B1U)
                         (S)   53 O    1 SI(1.0)                0.0
                         (S)   54 O    2 SI(1.0)                0.0
                         (S)   55 O    3 SI(1.0)                0.0
                         (S)   56 O    4 SI(1.0)                0.0
                         (S)   57 O    5 SI(1.0)                0.0
                         (S)   58 O    6 SI(1.0)                0.0
                         (S)   59 O    7 SI(1.0)                0.0
                         (S)   60 O    8 SI(1.0)                0.0
  304    816.7582  (B3U)
                         (S)   53 O    1 SI(1.0)                0.0
                         (S)   54 O    2 SI(1.0)                0.0
                         (S)   55 O    3 SI(1.0)                0.0
                         (S)   56 O    4 SI(1.0)                0.0
                         (S)   57 O    5 SI(1.0)                0.0
                         (S)   58 O    6 SI(1.0)                0.0
                         (S)   59 O    7 SI(1.0)                0.0
                         (S)   60 O    8 SI(1.0)                0.0
  305    818.1187  (B2U)
                         (S)   53 O    1 SI(0.9)                0.0
                         (S)   54 O    2 SI(0.9)                0.0
                         (S)   55 O    3 SI(0.9)                0.0
                         (S)   56 O    4 SI(0.9)                0.0
                         (S)   57 O    5 SI(0.9)                0.0
                         (S)   58 O    6 SI(0.9)                0.0
                         (S)   59 O    7 SI(0.9)                0.0
                         (S)   60 O    8 SI(0.9)                0.0
  306    818.4397  (B1G)
                         (S)   53 O    1 SI(1.0)                0.0
                         (S)   54 O    2 SI(1.0)                0.0
                         (S)   55 O    3 SI(1.0)                0.0
                         (S)   56 O    4 SI(1.0)                0.0
                         (S)   57 O    5 SI(1.0)                0.0
                         (S)   58 O    6 SI(1.0)                0.0
                         (S)   59 O    7 SI(1.0)                0.0
                         (S)   60 O    8 SI(1.0)                0.0
                         (S)   85 O    9 SI(0.9)                0.0
                         (S)  101 O    9 SI(0.8) 109 O (0.2)    0.0
                         (S)   86 O   10 SI(0.9)                0.0
                         (S)  102 O   10 SI(0.8) 110 O (0.2)    0.0
                         (S)   87 O   11 SI(0.9)                0.0
                         (S)  103 O   11 SI(0.8) 111 O (0.2)    0.0
                         (S)   88 O   12 SI(0.9)                0.0
                         (S)  104 O   12 SI(0.8) 112 O (0.2)    0.0
                         (S)   89 O   13 SI(0.9)                0.0
                         (S)  105 O   13 SI(0.8) 113 O (0.2)    0.0
                         (S)   90 O   14 SI(0.9)                0.0
                         (S)  106 O   14 SI(0.8) 114 O (0.2)    0.0
                         (S)   91 O   15 SI(0.9)                0.0
                         (S)  107 O   15 SI(0.8) 115 O (0.2)    0.0
                         (S)   92 O   16 SI(0.9)                0.0
                         (S)  108 O   16 SI(0.8) 116 O (0.2)    0.0
  307    818.6693  (AU )
                         (S)   53 O    1 SI(0.9)                0.0
                         (S)   69 O    1 SI(0.9)                0.0
                         (S)   54 O    2 SI(0.9)                0.0
                         (S)   70 O    2 SI(0.9)                0.0
                         (S)   55 O    3 SI(0.9)                0.0
                         (S)   71 O    3 SI(0.9)                0.0
                         (S)   56 O    4 SI(0.9)                0.0
                         (S)   72 O    4 SI(0.9)                0.0
                         (S)   57 O    5 SI(0.9)                0.0
                         (S)   73 O    5 SI(0.9)                0.0
                         (S)   58 O    6 SI(0.9)                0.0
                         (S)   74 O    6 SI(0.9)                0.0
                         (S)   59 O    7 SI(0.9)                0.0
                         (S)   75 O    7 SI(0.9)                0.0
                         (S)   60 O    8 SI(0.9)                0.0
                         (S)   76 O    8 SI(0.9)                0.0
                         (S)   53 O   21 CA(0.5)   7 SI(0.5)    0.0
                         (S)   54 O   22 CA(0.5)   8 SI(0.5)    0.0
                         (S)   55 O   23 CA(0.5)   5 SI(0.5)    0.0
                         (S)   56 O   24 CA(0.5)   6 SI(0.5)    0.0
                         (S)   57 O   25 CA(0.5)   3 SI(0.5)    0.0
                         (S)   58 O   26 CA(0.5)   4 SI(0.5)    0.0
                         (S)   59 O   27 CA(0.5)   1 SI(0.5)    0.0
                         (S)   60 O   28 CA(0.5)   2 SI(0.5)    0.0
                         (B)   53 O   29 CA(0.0)   1 SI(1.0)    0.0
                         (B)   54 O   30 CA(0.0)   2 SI(1.0)    0.0
                         (B)   58 O   30 CA(0.0)   2 SI(1.0)    0.0
                         (B)   31 CA  59 O (0.0)   7 SI(1.0)    0.0
                         (B)   56 O   32 CA(0.0)   4 SI(1.0)    0.0
                         (B)   60 O   32 CA(0.0)   4 SI(1.0)    0.0
                         (B)   33 CA  53 O (0.0)   1 SI(1.0)    0.0
                         (B)   34 CA  54 O (0.0)   2 SI(1.0)    0.0
                         (B)   55 O   35 CA(0.0)   3 SI(1.0)    0.0
                         (B)   36 CA  56 O (0.0)   4 SI(1.0)    0.0
                         (B)   57 O   37 CA(0.0)   5 SI(1.0)    0.0
                         (B)   38 CA  58 O (0.0)   6 SI(1.0)    0.0
                         (B)   59 O   39 CA(0.0)   7 SI(1.0)    0.0
                         (B)   60 O   40 CA(0.0)   8 SI(1.0)    0.0
  308    821.5325  (B2U)
                         (S)  101 O    9 SI(0.8)  33 CA(0.2)    0.0
                         (S)  102 O   10 SI(0.8)  34 CA(0.2)    0.0
                         (S)  103 O   11 SI(0.8)  35 CA(0.2)    0.0
                         (S)  104 O   12 SI(0.8)  36 CA(0.2)    0.0
                         (S)  105 O   13 SI(0.8)  37 CA(0.2)    0.0
                         (S)  106 O   14 SI(0.8)  38 CA(0.2)    0.0
                         (S)  107 O   15 SI(0.8)  39 CA(0.2)    0.0
                         (S)  108 O   16 SI(0.8)  40 CA(0.2)    0.0
  309    823.4306  (B3G)
                         (S)   53 O    1 SI(1.0)                0.0
                         (S)   54 O    2 SI(1.0)                0.0
                         (S)   55 O    3 SI(1.0)                0.0
                         (S)   56 O    4 SI(1.0)                0.0
                         (S)   57 O    5 SI(1.0)                0.0
                         (S)   58 O    6 SI(1.0)                0.0
                         (S)   59 O    7 SI(1.0)                0.0
                         (S)   60 O    8 SI(1.0)                0.0
  310    826.2185  (B1U)
                         (S)   85 O    9 SI(0.9)                0.0
                         (S)  101 O    9 SI(0.8) 109 O (0.2)    0.0
                         (S)   86 O   10 SI(0.9)                0.0
                         (S)  102 O   10 SI(0.8) 110 O (0.2)    0.0
                         (S)   87 O   11 SI(0.9)                0.0
                         (S)  103 O   11 SI(0.8) 111 O (0.2)    0.0
                         (S)   88 O   12 SI(0.9)                0.0
                         (S)  104 O   12 SI(0.8) 112 O (0.2)    0.0
                         (S)   89 O   13 SI(0.9)                0.0
                         (S)  105 O   13 SI(0.8) 113 O (0.2)    0.0
                         (S)   90 O   14 SI(0.9)                0.0
                         (S)  106 O   14 SI(0.8) 114 O (0.2)    0.0
                         (S)   91 O   15 SI(0.9)                0.0
                         (S)  107 O   15 SI(0.8) 115 O (0.2)    0.0
                         (S)   92 O   16 SI(0.9)                0.0
                         (S)  108 O   16 SI(0.8) 116 O (0.2)    0.0
  311    826.7463  (B1G)
                         (S)   69 O    1 SI(1.0)                0.0
                         (S)   77 O    1 SI(1.0)                0.0
                         (S)   70 O    2 SI(1.0)                0.0
                         (S)   78 O    2 SI(1.0)                0.0
                         (S)   71 O    3 SI(1.0)                0.0
                         (S)   79 O    3 SI(1.0)                0.0
                         (S)   72 O    4 SI(1.0)                0.0
                         (S)   80 O    4 SI(1.0)                0.0
                         (S)   73 O    5 SI(1.0)                0.0
                         (S)   81 O    5 SI(1.0)                0.0
                         (S)   74 O    6 SI(1.0)                0.0
                         (S)   82 O    6 SI(1.0)                0.0
                         (S)   75 O    7 SI(1.0)                0.0
                         (S)   83 O    7 SI(1.0)                0.0
                         (S)   76 O    8 SI(1.0)                0.0
                         (S)   84 O    8 SI(1.0)                0.0
                         (S)    9 SI 101 O (0.8)  17 SI(0.2)    0.0
                         (S)   10 SI 102 O (0.8)  18 SI(0.2)    0.0
                         (S)   11 SI 103 O (0.8)  18 SI(0.2)    0.0
                         (S)   12 SI 104 O (0.8)  17 SI(0.2)    0.0
                         (S)   13 SI 105 O (0.8)  19 SI(0.2)    0.0
                         (S)   14 SI 106 O (0.8)  20 SI(0.2)    0.0
                         (S)   15 SI 107 O (0.8)  20 SI(0.2)    0.0
                         (S)   16 SI 108 O (0.8)  19 SI(0.2)    0.0
                         (S)   21 CA  53 O (0.5)   1 SI(0.5)    0.0
                         (B)   75 O   21 CA(0.0)  85 O (1.0)    0.0
                         (S)   22 CA  54 O (0.5)   2 SI(0.5)    0.0
                         (S)   22 CA  74 O (0.5)   6 SI(0.5)    0.0
                         (B)   76 O   22 CA(0.0)  86 O (1.0)    0.0
                         (S)   23 CA  55 O (0.5)   3 SI(0.5)    0.0
                         (B)   73 O   23 CA(0.0)  87 O (1.0)    0.0
                         (S)   24 CA  56 O (0.5)   4 SI(0.5)    0.0
                         (B)   74 O   24 CA(0.0)  88 O (1.0)    0.0
                         (S)   24 CA  76 O (0.5)   8 SI(0.5)    0.0
                         (S)   25 CA  57 O (0.5)   5 SI(0.5)    0.0
                         (B)   71 O   25 CA(0.0)  89 O (1.0)    0.0
                         (S)   26 CA  58 O (0.5)   6 SI(0.5)    0.0
                         (S)   26 CA  70 O (0.5)   2 SI(0.5)    0.0
                         (B)   72 O   26 CA(0.0)  90 O (1.0)    0.0
                         (S)   27 CA  59 O (0.5)   7 SI(0.5)    0.0
                         (B)   69 O   27 CA(0.0)  91 O (1.0)    0.0
                         (S)   28 CA  60 O (0.5)   8 SI(0.5)    0.0
                         (B)   70 O   28 CA(0.0)  92 O (1.0)    0.0
                         (S)   28 CA  72 O (0.5)   4 SI(0.5)    0.0
                         (B)   29 CA  69 O (0.0)   1 SI(1.0)    0.0
                         (B)   70 O   30 CA(0.0)   2 SI(1.0)    0.0
                         (B)   74 O   30 CA(0.0)   2 SI(1.0)    0.0
                         (B)   31 CA  75 O (0.0)   7 SI(1.0)    0.0
                         (B)   72 O   32 CA(0.0)   4 SI(1.0)    0.0
                         (B)   76 O   32 CA(0.0)   4 SI(1.0)    0.0
                         (B)   33 CA  53 O (0.0)   1 SI(1.0)    0.0
                         (B)   34 CA  54 O (0.0)   2 SI(1.0)    0.0
                         (B)   55 O   35 CA(0.0)   3 SI(1.0)    0.0
                         (B)   36 CA  56 O (0.0)   4 SI(1.0)    0.0
                         (B)   57 O   37 CA(0.0)   5 SI(1.0)    0.0
                         (B)   38 CA  58 O (0.0)   6 SI(1.0)    0.0
                         (B)   59 O   39 CA(0.0)   7 SI(1.0)    0.0
                         (B)   60 O   40 CA(0.0)   8 SI(1.0)    0.0
  312    844.4255  (B3G)
                         (S)   69 O    1 SI(0.9)                0.0
                         (S)   70 O    2 SI(0.9)                0.0
                         (S)   71 O    3 SI(0.9)                0.0
                         (S)   72 O    4 SI(0.9)                0.0
                         (S)   73 O    5 SI(0.9)                0.0
                         (S)   74 O    6 SI(0.9)                0.0
                         (S)   75 O    7 SI(0.9)                0.0
                         (S)   76 O    8 SI(0.9)                0.0
  313    846.0695  (B3U)
                         (S)   53 O    1 SI(0.9)                0.0
                         (S)   61 O    1 SI(0.8)  53 O (0.2)    0.0
                         (S)   54 O    2 SI(0.9)                0.0
                         (S)   62 O    2 SI(0.8)  54 O (0.2)    0.0
                         (S)   55 O    3 SI(0.9)                0.0
                         (S)   63 O    3 SI(0.8)  55 O (0.2)    0.0
                         (S)   56 O    4 SI(0.9)                0.0
                         (S)   64 O    4 SI(0.8)  56 O (0.2)    0.0
                         (S)   57 O    5 SI(0.9)                0.0
                         (S)   65 O    5 SI(0.8)  57 O (0.2)    0.0
                         (S)   58 O    6 SI(0.9)                0.0
                         (S)   66 O    6 SI(0.8)  58 O (0.2)    0.0
                         (S)   59 O    7 SI(0.9)                0.0
                         (S)   67 O    7 SI(0.8)  59 O (0.2)    0.0
                         (S)   60 O    8 SI(0.9)                0.0
                         (S)   68 O    8 SI(0.8)  60 O (0.2)    0.0
  314    846.8211  (B2G)
                         (S)   53 O    1 SI(0.9)                0.0
                         (S)   69 O    1 SI(0.7)  53 O (0.3)    0.0
                         (S)   54 O    2 SI(0.9)                0.0
                         (S)   70 O    2 SI(0.7)  54 O (0.3)    0.0
                         (S)   55 O    3 SI(0.9)                0.0
                         (S)   71 O    3 SI(0.7)  55 O (0.3)    0.0
                         (S)   56 O    4 SI(0.9)                0.0
                         (S)   72 O    4 SI(0.7)  56 O (0.3)    0.0
                         (S)   57 O    5 SI(0.9)                0.0
                         (S)   73 O    5 SI(0.7)  57 O (0.3)    0.0
                         (S)   58 O    6 SI(0.9)                0.0
                         (S)   74 O    6 SI(0.7)  58 O (0.3)    0.0
                         (S)   59 O    7 SI(0.9)                0.0
                         (S)   75 O    7 SI(0.7)  59 O (0.3)    0.0
                         (S)   60 O    8 SI(0.9)                0.0
                         (S)   76 O    8 SI(0.7)  60 O (0.3)    0.0
  315    846.9583  (AG )
                         (S)   53 O    1 SI(0.9)                0.0
                         (S)   69 O    1 SI(0.7)  53 O (0.3)    0.0
                         (S)   54 O    2 SI(0.9)                0.0
                         (S)   70 O    2 SI(0.7)  54 O (0.3)    0.0
                         (S)   55 O    3 SI(0.9)                0.0
                         (S)   71 O    3 SI(0.7)  55 O (0.3)    0.0
                         (S)   56 O    4 SI(0.9)                0.0
                         (S)   72 O    4 SI(0.7)  56 O (0.3)    0.0
                         (S)   57 O    5 SI(0.9)                0.0
                         (S)   73 O    5 SI(0.7)  57 O (0.3)    0.0
                         (S)   58 O    6 SI(0.9)                0.0
                         (S)   74 O    6 SI(0.7)  58 O (0.3)    0.0
                         (S)   59 O    7 SI(0.9)                0.0
                         (S)   75 O    7 SI(0.7)  59 O (0.3)    0.0
                         (S)   60 O    8 SI(0.9)                0.0
                         (S)   76 O    8 SI(0.7)  60 O (0.3)    0.0
  316    847.6283  (AU )
                         (S)   85 O    9 SI(0.9)                0.0
                         (S)   86 O   10 SI(0.9)                0.0
                         (S)   87 O   11 SI(0.9)                0.0
                         (S)   88 O   12 SI(0.9)                0.0
                         (S)   89 O   13 SI(0.9)                0.0
                         (S)   90 O   14 SI(0.9)                0.0
                         (S)   91 O   15 SI(0.9)               -0.1
                         (S)   92 O   16 SI(0.9)                0.0
  317    849.8814  (B1G)
                         (S)   69 O    1 SI(0.9)                0.0
                         (S)   70 O    2 SI(0.9)                0.0
                         (S)   71 O    3 SI(0.9)                0.0
                         (S)   72 O    4 SI(0.9)                0.0
                         (S)   73 O    5 SI(0.9)                0.0
                         (S)   74 O    6 SI(0.9)                0.0
                         (S)   75 O    7 SI(0.9)                0.0
                         (S)   76 O    8 SI(0.9)                0.0
  318    851.5698  (AG )
                         (S)   85 O    9 SI(0.8)  47 CA(0.2)    0.0
                         (S)  109 O    9 SI(0.8) 101 O (0.2)    0.0
                         (S)   86 O   10 SI(0.8)  48 CA(0.2)    0.0
                         (S)  110 O   10 SI(0.8) 102 O (0.2)    0.0
                         (S)   11 SI  87 O (0.8)  45 CA(0.2)    0.0
                         (S)  111 O   11 SI(0.8) 103 O (0.2)    0.0
                         (S)   88 O   12 SI(0.8)  46 CA(0.2)    0.0
                         (S)  112 O   12 SI(0.8) 104 O (0.2)    0.0
                         (S)   89 O   13 SI(0.8)  43 CA(0.2)    0.0
                         (S)  113 O   13 SI(0.8) 105 O (0.2)    0.0
                         (S)   90 O   14 SI(0.8)  44 CA(0.2)    0.0
                         (S)  114 O   14 SI(0.8) 106 O (0.2)    0.0
                         (S)   91 O   15 SI(0.8)  41 CA(0.2)    0.0
                         (S)  115 O   15 SI(0.8) 107 O (0.2)    0.0
                         (S)   16 SI  92 O (0.8)  42 CA(0.2)    0.0
                         (S)  116 O   16 SI(0.8) 108 O (0.2)    0.0
  319    852.1423  (B1U)
                         (S)   53 O    1 SI(0.9)                0.0
                         (S)   61 O    1 SI(0.8)  53 O (0.2)    0.0
                         (S)   54 O    2 SI(0.9)                0.0
                         (S)   62 O    2 SI(0.8)  54 O (0.2)    0.0
                         (S)   55 O    3 SI(0.9)                0.0
                         (S)   63 O    3 SI(0.8)  55 O (0.2)    0.0
                         (S)   56 O    4 SI(0.9)                0.0
                         (S)   64 O    4 SI(0.8)  56 O (0.2)    0.0
                         (S)   57 O    5 SI(0.9)                0.0
                         (S)   65 O    5 SI(0.8)  57 O (0.2)    0.0
                         (S)   58 O    6 SI(0.9)                0.0
                         (S)   66 O    6 SI(0.8)  58 O (0.2)    0.0
                         (S)   59 O    7 SI(0.9)                0.0
                         (S)   67 O    7 SI(0.8)  59 O (0.2)    0.0
                         (S)   60 O    8 SI(0.9)                0.0
                         (S)   68 O    8 SI(0.8)  60 O (0.2)    0.0
  320    852.8770  (B3G)
                         (S)   69 O    1 SI(0.9)                0.0
                         (S)   70 O    2 SI(0.9)                0.0
                         (S)   71 O    3 SI(0.9)                0.0
                         (S)   72 O    4 SI(0.9)                0.0
                         (S)   73 O    5 SI(0.9)                0.0
                         (S)   74 O    6 SI(0.9)                0.0
                         (S)   75 O    7 SI(0.9)                0.0
                         (S)   76 O    8 SI(0.9)                0.0
                         (S)   85 O    9 SI(0.8)  47 CA(0.1)    0.0
                         (S)   86 O   10 SI(0.8)  48 CA(0.1)    0.0
                         (S)   11 SI  87 O (0.8)  45 CA(0.1)    0.0
                         (S)   88 O   12 SI(0.8)  46 CA(0.1)    0.0
                         (S)   89 O   13 SI(0.8)  43 CA(0.1)    0.0
                         (S)   90 O   14 SI(0.8)  44 CA(0.1)    0.0
                         (S)   91 O   15 SI(0.8)  41 CA(0.1)    0.0
                         (S)   16 SI  92 O (0.8)  42 CA(0.1)    0.0
  321    855.2653  (B2G)
                         (S)   85 O    9 SI(0.7) 101 O (0.3)    0.0
                         (S)   93 O    9 SI(0.6) 101 O (0.4)    0.0
                         (S)  109 O    9 SI(0.7) 101 O (0.3)    0.0
                         (S)   86 O   10 SI(0.7) 102 O (0.3)    0.0
                         (S)   94 O   10 SI(0.6) 102 O (0.4)    0.0
                         (S)  110 O   10 SI(0.7) 102 O (0.3)    0.0
                         (S)   87 O   11 SI(0.7) 103 O (0.3)    0.0
                         (S)   95 O   11 SI(0.6) 103 O (0.4)    0.0
                         (S)  111 O   11 SI(0.7) 103 O (0.3)    0.0
                         (S)   88 O   12 SI(0.7) 104 O (0.3)    0.0
                         (S)   96 O   12 SI(0.6) 104 O (0.4)    0.0
                         (S)  112 O   12 SI(0.7) 104 O (0.3)    0.0
                         (S)   89 O   13 SI(0.7) 105 O (0.3)    0.0
                         (S)   97 O   13 SI(0.6) 105 O (0.4)    0.0
                         (S)  113 O   13 SI(0.7) 105 O (0.3)    0.0
                         (S)   90 O   14 SI(0.7) 106 O (0.3)    0.0
                         (S)   98 O   14 SI(0.6) 106 O (0.4)    0.0
                         (S)  114 O   14 SI(0.7) 106 O (0.3)    0.0
                         (S)   91 O   15 SI(0.7) 107 O (0.3)    0.0
                         (S)   99 O   15 SI(0.6) 107 O (0.4)    0.0
                         (S)  115 O   15 SI(0.7) 107 O (0.3)    0.0
                         (S)   92 O   16 SI(0.7) 108 O (0.3)    0.0
                         (S)  100 O   16 SI(0.6) 108 O (0.4)    0.0
                         (S)  116 O   16 SI(0.7) 108 O (0.3)    0.0
  322    856.2961  (B3U)
                         (S)   53 O    1 SI(1.0)                0.0
                         (S)   54 O    2 SI(1.0)                0.0
                         (S)   55 O    3 SI(1.0)                0.0
                         (S)   56 O    4 SI(1.0)                0.0
                         (S)   57 O    5 SI(1.0)                0.0
                         (S)   58 O    6 SI(1.0)                0.0
                         (S)   59 O    7 SI(1.0)                0.0
                         (S)   60 O    8 SI(1.0)                0.0
  323    868.1046  (AU )
                         (S)   61 O    1 SI(0.9)                0.0
                         (S)   62 O    2 SI(0.9)                0.0
                         (S)   63 O    3 SI(0.9)                0.0
                         (S)   64 O    4 SI(0.9)                0.0
                         (S)   65 O    5 SI(0.9)                0.0
                         (S)   66 O    6 SI(0.9)                0.0
                         (S)   67 O    7 SI(0.9)                0.0
                         (S)   68 O    8 SI(0.9)                0.0
  324    868.1199  (B2U)
                         (S)   61 O    1 SI(0.9)                0.0
                         (S)   62 O    2 SI(0.9)                0.0
                         (S)   63 O    3 SI(0.9)                0.0
                         (S)   64 O    4 SI(0.9)                0.0
                         (S)   65 O    5 SI(0.9)                0.0
                         (S)   66 O    6 SI(0.9)                0.0
                         (S)   67 O    7 SI(0.9)                0.0
                         (S)   68 O    8 SI(0.9)                0.0
  325    884.9723  (B3G)
                         (S)   61 O    1 SI(0.9)                0.0
                         (S)   62 O    2 SI(0.9)                0.0
                         (S)   63 O    3 SI(0.9)                0.0
                         (S)   64 O    4 SI(0.9)                0.0
                         (S)   65 O    5 SI(0.9)                0.0
                         (S)   66 O    6 SI(0.9)                0.0
                         (S)   67 O    7 SI(0.9)                0.0
                         (S)   68 O    8 SI(0.9)                0.0
  326    886.5223  (B1U)
                         (S)   61 O    1 SI(0.9)                0.0
                         (S)    1 SI  69 O (0.8)  27 CA(0.1)    0.0
                         (S)   62 O    2 SI(0.9)                0.0
                         (S)    2 SI  70 O (0.8)  26 CA(0.1)    0.0
                         (S)   63 O    3 SI(0.9)                0.0
                         (S)   71 O    3 SI(0.8)  25 CA(0.1)    0.0
                         (S)   64 O    4 SI(0.9)                0.0
                         (S)    4 SI  72 O (0.8)  28 CA(0.1)    0.0
                         (S)   65 O    5 SI(0.9)                0.0
                         (S)   73 O    5 SI(0.8)  23 CA(0.1)    0.0
                         (S)   66 O    6 SI(0.9)                0.0
                         (S)    6 SI  74 O (0.8)  22 CA(0.1)    0.0
                         (S)   67 O    7 SI(0.9)                0.0
                         (S)   75 O    7 SI(0.8)  21 CA(0.1)    0.0
                         (S)   68 O    8 SI(0.9)                0.0
                         (S)    8 SI  76 O (0.8)  24 CA(0.1)    0.0
                         (S)  101 O   17 SI(0.9)                0.0
                         (S)  104 O   17 SI(0.9)                0.0
                         (S)  102 O   18 SI(0.9)                0.0
                         (S)  103 O   18 SI(0.9)                0.0
                         (S)  105 O   19 SI(0.9)                0.0
                         (S)  108 O   19 SI(0.9)                0.0
                         (S)  106 O   20 SI(0.9)                0.0
                         (S)  107 O   20 SI(0.9)                0.0
  327    886.5511  (B1G)
                         (S)   61 O    1 SI(0.9)                0.0
                         (S)   62 O    2 SI(0.9)                0.0
                         (S)   63 O    3 SI(0.9)                0.0
                         (S)   64 O    4 SI(0.9)                0.0
                         (S)   65 O    5 SI(0.9)                0.0
                         (S)   66 O    6 SI(0.9)                0.0
                         (S)   67 O    7 SI(0.9)                0.0
                         (S)   68 O    8 SI(0.9)                0.0
  328    894.0461  (B2U)
                         (S)  101 O   17 SI(0.9)                0.0
                         (S)  104 O   17 SI(0.9)                0.0
                         (S)  102 O   18 SI(0.9)                0.0
                         (S)  103 O   18 SI(0.9)                0.0
                         (S)  105 O   19 SI(0.9)                0.0
                         (S)  108 O   19 SI(0.9)                0.0
                         (S)  106 O   20 SI(0.9)                0.0
                         (S)  107 O   20 SI(0.9)                0.0
  329    894.1871  (AG )
                         (S)    9 SI 101 O (0.7)  17 SI(0.3)    0.0
                         (S)   10 SI 102 O (0.7)  18 SI(0.3)    0.0
                         (S)   11 SI 103 O (0.7)  18 SI(0.3)    0.0
                         (S)   12 SI 104 O (0.7)  17 SI(0.3)    0.0
                         (S)   13 SI 105 O (0.7)  19 SI(0.3)    0.0
                         (S)   14 SI 106 O (0.7)  20 SI(0.3)    0.0
                         (S)   15 SI 107 O (0.7)  20 SI(0.3)    0.0
                         (S)   16 SI 108 O (0.7)  19 SI(0.3)    0.0
                         (S)  101 O   17 SI(0.8) 120 O (0.2)    0.0
                         (S)  104 O   17 SI(0.8) 117 O (0.2)    0.0
                         (S)  102 O   18 SI(0.8) 119 O (0.2)    0.0
                         (S)  103 O   18 SI(0.8) 118 O (0.2)    0.0
                         (S)  105 O   19 SI(0.8) 124 O (0.2)    0.0
                         (S)  108 O   19 SI(0.8) 121 O (0.2)    0.0
                         (S)  106 O   20 SI(0.8) 123 O (0.2)    0.0
                         (S)  107 O   20 SI(0.8) 122 O (0.2)    0.0
  330    894.1987  (B3U)
                         (S)    9 SI 101 O (0.7)  17 SI(0.3)    0.0
                         (S)   10 SI 102 O (0.7)  18 SI(0.3)    0.0
                         (S)   11 SI 103 O (0.7)  18 SI(0.3)    0.0
                         (S)   12 SI 104 O (0.7)  17 SI(0.3)    0.0
                         (S)   13 SI 105 O (0.7)  19 SI(0.3)    0.0
                         (S)   14 SI 106 O (0.7)  20 SI(0.3)    0.0
                         (S)   15 SI 107 O (0.7)  20 SI(0.3)    0.0
                         (S)   16 SI 108 O (0.7)  19 SI(0.3)    0.0
                         (S)  101 O   17 SI(0.8) 120 O (0.2)    0.0
                         (S)  104 O   17 SI(0.8) 117 O (0.2)    0.0
                         (S)  102 O   18 SI(0.8) 119 O (0.2)    0.0
                         (S)  103 O   18 SI(0.8) 118 O (0.2)    0.0
                         (S)  105 O   19 SI(0.8) 124 O (0.2)    0.0
                         (S)  108 O   19 SI(0.8) 121 O (0.2)    0.0
                         (S)  106 O   20 SI(0.8) 123 O (0.2)    0.0
                         (S)  107 O   20 SI(0.8) 122 O (0.2)    0.0
  331    894.2200  (B1G)
                         (S)  101 O   17 SI(0.9)                0.0
                         (S)  104 O   17 SI(0.9)                0.0
                         (S)  102 O   18 SI(0.9)                0.0
                         (S)  103 O   18 SI(0.9)                0.0
                         (S)  105 O   19 SI(0.9)                0.0
                         (S)  108 O   19 SI(0.9)                0.0
                         (S)  106 O   20 SI(0.9)                0.0
                         (S)  107 O   20 SI(0.9)                0.0
  332    895.9958  (AU )
                         (S)  101 O    9 SI(0.6) 109 O (0.4)    0.0
                         (S)  102 O   10 SI(0.6) 110 O (0.4)    0.0
                         (S)  103 O   11 SI(0.6) 111 O (0.4)    0.0
                         (S)  104 O   12 SI(0.6) 112 O (0.4)    0.0
                         (S)  105 O   13 SI(0.6) 113 O (0.4)    0.0
                         (S)  106 O   14 SI(0.6) 114 O (0.4)    0.0
                         (S)  107 O   15 SI(0.6) 115 O (0.4)    0.0
                         (S)  108 O   16 SI(0.6) 116 O (0.4)    0.0
                         (S)  101 O   17 SI(0.9)                0.0
                         (S)  104 O   17 SI(0.9)                0.0
                         (S)  102 O   18 SI(0.9)                0.0
                         (S)  103 O   18 SI(0.9)                0.0
                         (S)  105 O   19 SI(0.9)                0.0
                         (S)  108 O   19 SI(0.9)                0.0
                         (S)  106 O   20 SI(0.9)                0.0
                         (S)  107 O   20 SI(0.9)                0.0
  333    900.1608  (B2G)
                         (S)  101 O   17 SI(0.9)                0.0
                         (S)  104 O   17 SI(0.9)                0.0
                         (S)  102 O   18 SI(0.9)                0.0
                         (S)  103 O   18 SI(0.9)                0.0
                         (S)  105 O   19 SI(0.9)                0.0
                         (S)  108 O   19 SI(0.9)                0.0
                         (S)  106 O   20 SI(0.9)                0.0
                         (S)  107 O   20 SI(0.9)                0.0
  334    905.5615  (AG )
                         (S)    1 SI  61 O (0.8)  27 CA(0.2)    0.0
                         (S)   62 O    2 SI(0.8)  28 CA(0.2)    0.0
                         (S)    3 SI  63 O (0.8)  25 CA(0.2)    0.0
                         (S)   64 O    4 SI(0.8)  26 CA(0.2)    0.0
                         (S)    5 SI  65 O (0.8)  23 CA(0.2)    0.0
                         (S)    6 SI  66 O (0.8)  24 CA(0.2)    0.0
                         (S)   67 O    7 SI(0.8)  21 CA(0.2)    0.0
                         (S)   68 O    8 SI(0.8)  22 CA(0.2)    0.0
  335    907.1677  (B3G)
                         (S)  101 O    9 SI(0.7)  33 CA(0.3)    0.0
                         (S)  102 O   10 SI(0.7)  34 CA(0.3)    0.0
                         (S)  103 O   11 SI(0.7)  35 CA(0.3)    0.0
                         (S)  104 O   12 SI(0.7)  36 CA(0.3)    0.0
                         (S)  105 O   13 SI(0.7)  37 CA(0.3)    0.0
                         (S)  106 O   14 SI(0.7)  38 CA(0.3)    0.0
                         (S)  107 O   15 SI(0.7)  39 CA(0.3)    0.0
                         (S)  108 O   16 SI(0.7)  40 CA(0.3)    0.0
  336    907.9120  (B2G)
                         (S)    1 SI  61 O (0.8)  27 CA(0.2)    0.0
                         (S)   62 O    2 SI(0.8)  28 CA(0.2)    0.0
                         (S)    3 SI  63 O (0.8)  25 CA(0.2)    0.0
                         (S)   64 O    4 SI(0.8)  26 CA(0.2)    0.0
                         (S)    5 SI  65 O (0.8)  23 CA(0.2)    0.0
                         (S)   66 O    6 SI(0.8)  24 CA(0.2)    0.0
                         (S)   67 O    7 SI(0.8)  21 CA(0.2)    0.0
                         (S)   68 O    8 SI(0.8)  22 CA(0.2)    0.0
  337    908.4728  (B1U)
                         (S)  101 O   17 SI(0.9)                0.0
                         (S)  104 O   17 SI(0.9)                0.0
                         (S)  102 O   18 SI(0.9)                0.0
                         (S)  103 O   18 SI(0.9)                0.0
                         (S)  105 O   19 SI(0.9)                0.0
                         (S)  108 O   19 SI(0.9)                0.0
                         (S)  106 O   20 SI(0.9)                0.0
                         (S)  107 O   20 SI(0.9)                0.0
  338    909.4571  (B2U)
                         (S)   53 O    1 SI(0.8)  69 O (0.2)    0.0
                         (S)   69 O    1 SI(0.8)  29 CA(0.1)    0.0
                         (S)   54 O    2 SI(0.8)  70 O (0.2)    0.0
                         (S)   70 O    2 SI(0.8)  30 CA(0.1)    0.0
                         (S)   55 O    3 SI(0.8)  71 O (0.2)    0.0
                         (S)   71 O    3 SI(0.8)  55 O (0.1)    0.0
                         (S)   56 O    4 SI(0.8)  72 O (0.2)    0.0
                         (S)   72 O    4 SI(0.8)  32 CA(0.1)    0.0
                         (S)   57 O    5 SI(0.8)  73 O (0.2)    0.0
                         (S)   73 O    5 SI(0.8)  57 O (0.1)    0.0
                         (S)   58 O    6 SI(0.8)  74 O (0.2)    0.0
                         (S)   74 O    6 SI(0.8)  30 CA(0.1)    0.0
                         (S)   59 O    7 SI(0.8)  75 O (0.2)    0.0
                         (S)   75 O    7 SI(0.8)  31 CA(0.1)    0.0
                         (S)   60 O    8 SI(0.8)  76 O (0.2)    0.0
                         (S)   76 O    8 SI(0.8)  32 CA(0.1)    0.0
  339    919.5403  (AU )
                         (S)   53 O    1 SI(0.9)                0.0
                         (S)   69 O    1 SI(0.7)  29 CA(0.3)    0.0
                         (S)   54 O    2 SI(0.9)                0.0
                         (S)   70 O    2 SI(0.7)  30 CA(0.3)    0.0
                         (S)   55 O    3 SI(0.9)                0.0
                         (S)   71 O    3 SI(0.7)  55 O (0.3)    0.0
                         (S)   56 O    4 SI(0.9)                0.0
                         (S)   72 O    4 SI(0.7)  32 CA(0.3)    0.0
                         (S)   57 O    5 SI(0.9)                0.0
                         (S)   73 O    5 SI(0.7)  57 O (0.3)    0.0
                         (S)   58 O    6 SI(0.9)                0.0
                         (S)   74 O    6 SI(0.7)  30 CA(0.3)    0.0
                         (S)   59 O    7 SI(0.9)                0.0
                         (S)   75 O    7 SI(0.7)  31 CA(0.3)    0.0
                         (S)   60 O    8 SI(0.9)                0.0
                         (S)   76 O    8 SI(0.7)  32 CA(0.3)    0.0
  340    925.0260  (B3U)
                         (S)   61 O    1 SI(0.9)                0.0
                         (S)   77 O    1 SI(0.9)                0.0
                         (S)   62 O    2 SI(0.9)                0.0
                         (S)   78 O    2 SI(0.9)                0.0
                         (S)   63 O    3 SI(0.9)                0.0
                         (S)   79 O    3 SI(0.9)                0.0
                         (S)   64 O    4 SI(0.9)                0.0
                         (S)   80 O    4 SI(0.9)                0.0
                         (S)   65 O    5 SI(0.9)                0.0
                         (S)   81 O    5 SI(0.9)                0.0
                         (S)   66 O    6 SI(0.9)                0.0
                         (S)   82 O    6 SI(0.9)                0.0
                         (S)   67 O    7 SI(0.9)                0.0
                         (S)   83 O    7 SI(0.9)                0.0
                         (S)   68 O    8 SI(0.9)                0.0
                         (S)   84 O    8 SI(0.9)                0.0
  341    928.7042  (B2G)
                         (S)   77 O    1 SI(1.0)                0.0
                         (S)   78 O    2 SI(1.0)                0.0
                         (S)   79 O    3 SI(1.0)                0.0
                         (S)   80 O    4 SI(1.0)                0.0
                         (S)   81 O    5 SI(1.0)                0.0
                         (S)   82 O    6 SI(1.0)                0.0
                         (S)   83 O    7 SI(1.0)                0.0
                         (S)   84 O    8 SI(1.0)                0.0
  342    928.7736  (B1U)
                         (S)   77 O    1 SI(1.0)                0.0
                         (S)   78 O    2 SI(1.0)                0.0
                         (S)   79 O    3 SI(1.0)                0.0
                         (S)   80 O    4 SI(1.0)                0.0
                         (S)   81 O    5 SI(1.0)                0.0
                         (S)   82 O    6 SI(1.0)                0.0
                         (S)   83 O    7 SI(1.0)                0.0
                         (S)   84 O    8 SI(1.0)                0.0
  343    928.9438  (B2U)
                         (S)   77 O    1 SI(1.0)                0.0
                         (S)   78 O    2 SI(1.0)                0.0
                         (S)   79 O    3 SI(1.0)                0.0
                         (S)   80 O    4 SI(1.0)                0.0
                         (S)   81 O    5 SI(1.0)                0.0
                         (S)   82 O    6 SI(1.0)                0.0
                         (S)   83 O    7 SI(1.0)                0.0
                         (S)   84 O    8 SI(1.0)                0.0
  344    928.9961  (AG )
                         (S)   77 O    1 SI(1.0)                0.0
                         (S)   78 O    2 SI(1.0)                0.0
                         (S)   79 O    3 SI(1.0)                0.0
                         (S)   80 O    4 SI(1.0)                0.0
                         (S)   81 O    5 SI(1.0)                0.0
                         (S)   82 O    6 SI(1.0)                0.0
                         (S)   83 O    7 SI(1.0)                0.0
                         (S)   84 O    8 SI(1.0)                0.0
  345    929.3367  (AU )
                         (S)   77 O    1 SI(1.0)                0.0
                         (S)   78 O    2 SI(1.0)                0.0
                         (S)   79 O    3 SI(1.0)                0.0
                         (S)   80 O    4 SI(1.0)                0.0
                         (S)   81 O    5 SI(1.0)                0.0
                         (S)   82 O    6 SI(1.0)                0.0
                         (S)   83 O    7 SI(1.0)                0.0
                         (S)   84 O    8 SI(1.0)                0.0
  346    933.2904  (B1G)
                         (S)   77 O    1 SI(1.0)                0.0
                         (S)   78 O    2 SI(1.0)                0.0
                         (S)   79 O    3 SI(1.0)                0.0
                         (S)   80 O    4 SI(1.0)                0.0
                         (S)   81 O    5 SI(1.0)                0.0
                         (S)   82 O    6 SI(1.0)                0.0
                         (S)   83 O    7 SI(1.0)                0.0
                         (S)   84 O    8 SI(1.0)                0.0
  347    933.3689  (B3G)
                         (S)   77 O    1 SI(1.0)                0.0
                         (S)   78 O    2 SI(1.0)                0.0
                         (S)   79 O    3 SI(1.0)                0.0
                         (S)   80 O    4 SI(1.0)                0.0
                         (S)   81 O    5 SI(1.0)                0.0
                         (S)   82 O    6 SI(1.0)                0.0
                         (S)   83 O    7 SI(1.0)                0.0
                         (S)   84 O    8 SI(1.0)                0.0
  348    939.2993  (B3U)
                         (S)   69 O    1 SI(1.0)                0.0
                         (S)   77 O    1 SI(0.9)                0.0
                         (S)   70 O    2 SI(1.0)                0.0
                         (S)   78 O    2 SI(0.9)                0.0
                         (S)   71 O    3 SI(1.0)                0.0
                         (S)   79 O    3 SI(0.9)                0.0
                         (S)   72 O    4 SI(1.0)                0.0
                         (S)   80 O    4 SI(0.9)                0.0
                         (S)   73 O    5 SI(1.0)                0.0
                         (S)   81 O    5 SI(0.9)                0.0
                         (S)   74 O    6 SI(1.0)                0.0
                         (S)   82 O    6 SI(0.9)                0.0
                         (S)   75 O    7 SI(1.0)                0.0
                         (S)   83 O    7 SI(0.9)                0.0
                         (S)   76 O    8 SI(1.0)                0.0
                         (S)   84 O    8 SI(0.9)                0.0
  349    940.2068  (B1U)
                         (S)   77 O    1 SI(0.9)                0.0
                         (S)   78 O    2 SI(0.9)                0.0
                         (S)   79 O    3 SI(0.9)                0.0
                         (S)   80 O    4 SI(0.9)                0.0
                         (S)   81 O    5 SI(0.9)                0.0
                         (S)   82 O    6 SI(0.9)                0.0
                         (S)   83 O    7 SI(0.9)                0.0
                         (S)   84 O    8 SI(0.9)                0.0
                         (S)   85 O    9 SI(0.9)                0.0
                         (S)   93 O    9 SI(0.9)                0.0
                         (S)   86 O   10 SI(0.9)                0.0
                         (S)   94 O   10 SI(0.9)                0.0
                         (S)   87 O   11 SI(0.9)                0.0
                         (S)   95 O   11 SI(0.9)                0.0
                         (S)   88 O   12 SI(0.9)                0.0
                         (S)   96 O   12 SI(0.9)                0.0
                         (S)   89 O   13 SI(0.9)                0.0
                         (S)   97 O   13 SI(0.9)                0.0
                         (S)   90 O   14 SI(0.9)                0.0
                         (S)   98 O   14 SI(0.9)                0.0
                         (S)   91 O   15 SI(0.9)                0.0
                         (S)   99 O   15 SI(0.9)                0.0
                         (S)   92 O   16 SI(0.9)                0.0
                         (S)  100 O   16 SI(0.9)                0.0
  350    951.4513  (AG )
                         (S)   85 O    9 SI(0.8) 109 O (0.1)    0.0
                         (S)   93 O    9 SI(0.9)                0.0
                         (S)   86 O   10 SI(0.8) 110 O (0.1)    0.0
                         (S)   94 O   10 SI(0.9)                0.0
                         (S)   87 O   11 SI(0.8) 111 O (0.1)    0.0
                         (S)   95 O   11 SI(0.9)                0.0
                         (S)   88 O   12 SI(0.8) 112 O (0.1)    0.0
                         (S)   96 O   12 SI(0.9)                0.0
                         (S)   89 O   13 SI(0.8) 113 O (0.1)    0.0
                         (S)   97 O   13 SI(0.9)                0.0
                         (S)   90 O   14 SI(0.8) 114 O (0.1)    0.0
                         (S)   98 O   14 SI(0.9)                0.0
                         (S)   91 O   15 SI(0.8) 115 O (0.1)   -0.1
                         (S)   99 O   15 SI(0.9)                0.0
                         (S)   92 O   16 SI(0.8) 116 O (0.1)    0.0
                         (S)  100 O   16 SI(0.9)                0.0
  351    951.4936  (B1G)
                         (S)   85 O    9 SI(1.0)                0.0
                         (S)   86 O   10 SI(1.0)                0.0
                         (S)   87 O   11 SI(1.0)                0.0
                         (S)   88 O   12 SI(1.0)                0.0
                         (S)   89 O   13 SI(1.0)                0.0
                         (S)   90 O   14 SI(1.0)                0.0
                         (S)   91 O   15 SI(1.0)               -0.1
                         (S)   92 O   16 SI(1.0)                0.0
  352    951.8774  (B2G)
                         (S)   93 O    9 SI(0.9)                0.0
                         (S)   94 O   10 SI(0.9)                0.0
                         (S)   95 O   11 SI(0.9)                0.0
                         (S)   96 O   12 SI(0.9)                0.0
                         (S)   97 O   13 SI(0.9)                0.0
                         (S)   98 O   14 SI(0.9)                0.0
                         (S)   99 O   15 SI(0.9)                0.0
                         (S)  100 O   16 SI(0.9)                0.0
  353    955.2409  (B3U)
                         (S)   93 O    9 SI(0.9)                0.0
                         (S)   94 O   10 SI(0.9)                0.0
                         (S)   95 O   11 SI(0.9)                0.0
                         (S)   96 O   12 SI(0.9)                0.0
                         (S)   97 O   13 SI(0.9)                0.0
                         (S)   98 O   14 SI(0.9)                0.0
                         (S)   99 O   15 SI(0.9)                0.0
                         (S)  100 O   16 SI(0.9)                0.0
  354    955.6098  (B3G)
                         (S)   85 O    9 SI(0.9)                0.0
                         (S)  109 O    9 SI(0.9)                0.0
                         (S)   86 O   10 SI(0.9)                0.0
                         (S)  110 O   10 SI(0.9)                0.0
                         (S)   87 O   11 SI(0.9)                0.0
                         (S)  111 O   11 SI(0.9)                0.0
                         (S)   88 O   12 SI(0.9)                0.0
                         (S)  112 O   12 SI(0.9)                0.0
                         (S)   89 O   13 SI(0.9)                0.0
                         (S)  113 O   13 SI(0.9)                0.0
                         (S)   90 O   14 SI(0.9)                0.0
                         (S)  114 O   14 SI(0.9)                0.0
                         (S)   91 O   15 SI(0.9)               -0.1
                         (S)  115 O   15 SI(0.9)                0.0
                         (S)   92 O   16 SI(0.9)                0.0
                         (S)  116 O   16 SI(0.9)                0.0
  355    956.8056  (B2U)
                         (S)   85 O    9 SI(1.0)                0.0
                         (S)   86 O   10 SI(1.0)                0.0
                         (S)   87 O   11 SI(1.0)                0.0
                         (S)   88 O   12 SI(1.0)                0.0
                         (S)   89 O   13 SI(1.0)                0.0
                         (S)   90 O   14 SI(1.0)                0.0
                         (S)   91 O   15 SI(1.0)               -0.1
                         (S)   92 O   16 SI(1.0)                0.0
  356    959.6429  (AU )
                         (S)   85 O    9 SI(0.9)                0.0
                         (S)  109 O    9 SI(0.9)                0.0
                         (S)   86 O   10 SI(0.9)                0.0
                         (S)  110 O   10 SI(0.9)                0.0
                         (S)   87 O   11 SI(0.9)                0.0
                         (S)  111 O   11 SI(0.9)                0.0
                         (S)   88 O   12 SI(0.9)                0.0
                         (S)  112 O   12 SI(0.9)                0.0
                         (S)   89 O   13 SI(0.9)                0.0
                         (S)  113 O   13 SI(0.9)                0.0
                         (S)   90 O   14 SI(0.9)                0.0
                         (S)  114 O   14 SI(0.9)                0.0
                         (S)   91 O   15 SI(0.9)               -0.1
                         (S)  115 O   15 SI(0.9)                0.0
                         (S)   92 O   16 SI(0.9)                0.0
                         (S)  116 O   16 SI(0.9)                0.0
  357    974.5370  (AG )
                         (S)  109 O    9 SI(1.0)                0.0
                         (S)  110 O   10 SI(1.0)                0.0
                         (S)  111 O   11 SI(1.0)                0.0
                         (S)  112 O   12 SI(1.0)                0.0
                         (S)  113 O   13 SI(1.0)                0.0
                         (S)  114 O   14 SI(1.0)                0.0
                         (S)  115 O   15 SI(1.0)                0.0
                         (S)  116 O   16 SI(1.0)                0.0
                         (S)  117 O   17 SI(0.9)                0.0
                         (S)  120 O   17 SI(0.9)                0.0
                         (S)  118 O   18 SI(0.9)                0.0
                         (S)  119 O   18 SI(0.9)                0.0
                         (S)  121 O   19 SI(0.9)                0.0
                         (S)  124 O   19 SI(0.9)                0.0
                         (S)  122 O   20 SI(0.9)                0.0
                         (S)  123 O   20 SI(0.9)                0.0
  358    975.9307  (B3U)
                         (S)  109 O    9 SI(1.0)                0.0
                         (S)  110 O   10 SI(1.0)                0.0
                         (S)  111 O   11 SI(1.0)                0.0
                         (S)  112 O   12 SI(1.0)                0.0
                         (S)  113 O   13 SI(1.0)                0.0
                         (S)  114 O   14 SI(1.0)                0.0
                         (S)  115 O   15 SI(1.0)                0.0
                         (S)  116 O   16 SI(1.0)                0.0
                         (S)  117 O   17 SI(0.9)                0.0
                         (S)  120 O   17 SI(0.9)                0.0
                         (S)  118 O   18 SI(0.9)                0.0
                         (S)  119 O   18 SI(0.9)                0.0
                         (S)  121 O   19 SI(0.9)                0.0
                         (S)  124 O   19 SI(0.9)                0.0
                         (S)  122 O   20 SI(0.9)                0.0
                         (S)  123 O   20 SI(0.9)                0.0
  359    979.8747  (B1U)
                         (S)  109 O    9 SI(1.0)                0.0
                         (S)  110 O   10 SI(1.0)                0.0
                         (S)  111 O   11 SI(1.0)                0.0
                         (S)  112 O   12 SI(1.0)                0.0
                         (S)  113 O   13 SI(1.0)                0.0
                         (S)  114 O   14 SI(1.0)                0.0
                         (S)  115 O   15 SI(1.0)                0.0
                         (S)  116 O   16 SI(1.0)                0.0
  360    982.6290  (B2U)
                         (S)  109 O    9 SI(1.0)                0.0
                         (S)  110 O   10 SI(1.0)                0.0
                         (S)  111 O   11 SI(1.0)                0.0
                         (S)  112 O   12 SI(1.0)                0.0
                         (S)  113 O   13 SI(1.0)                0.0
                         (S)  114 O   14 SI(1.0)                0.0
                         (S)  115 O   15 SI(1.0)                0.0
                         (S)  116 O   16 SI(1.0)                0.0
  361    982.6669  (B1G)
                         (S)  109 O    9 SI(1.0)                0.0
                         (S)  110 O   10 SI(1.0)                0.0
                         (S)  111 O   11 SI(1.0)                0.0
                         (S)  112 O   12 SI(1.0)                0.0
                         (S)  113 O   13 SI(1.0)                0.0
                         (S)  114 O   14 SI(1.0)                0.0
                         (S)  115 O   15 SI(1.0)                0.0
                         (S)  116 O   16 SI(1.0)                0.0
  362    982.7058  (B2G)
                         (S)  109 O    9 SI(1.0)                0.0
                         (S)  110 O   10 SI(1.0)                0.0
                         (S)  111 O   11 SI(1.0)                0.0
                         (S)  112 O   12 SI(1.0)                0.0
                         (S)  113 O   13 SI(1.0)                0.0
                         (S)  114 O   14 SI(1.0)                0.0
                         (S)  115 O   15 SI(1.0)                0.0
                         (S)  116 O   16 SI(1.0)                0.0
  363    993.3024  (AG )
                         (S)  117 O   17 SI(0.8)  52 CA(0.2)    0.0
                         (S)  120 O   17 SI(0.8)  52 CA(0.2)    0.0
                         (S)  118 O   18 SI(0.8)  51 CA(0.2)    0.0
                         (S)   18 SI 119 O (0.8)  51 CA(0.2)    0.0
                         (S)  121 O   19 SI(0.8) 124 O (0.2)    0.0
                         (S)  124 O   19 SI(0.8) 121 O (0.2)    0.0
                         (S)  122 O   20 SI(0.8)  49 CA(0.2)    0.0
                         (S)   20 SI 123 O (0.8)  49 CA(0.2)    0.0
  364    994.2797  (B3U)
                         (S)  117 O   17 SI(0.8)  52 CA(0.2)    0.0
                         (S)  120 O   17 SI(0.8)  52 CA(0.2)    0.0
                         (S)   18 SI 118 O (0.8)  51 CA(0.2)    0.0
                         (S)   18 SI 119 O (0.8)  51 CA(0.2)    0.0
                         (S)  121 O   19 SI(0.8)  50 CA(0.2)    0.0
                         (S)  124 O   19 SI(0.8) 121 O (0.2)    0.0
                         (S)  122 O   20 SI(0.8)  49 CA(0.2)    0.0
                         (S)  123 O   20 SI(0.8)  49 CA(0.2)    0.0
  365   1001.1864  (B3G)
                         (S)   93 O    9 SI(1.0)                0.0
                         (S)   94 O   10 SI(1.0)                0.0
                         (S)   95 O   11 SI(1.0)                0.0
                         (S)   96 O   12 SI(1.0)                0.0
                         (S)   97 O   13 SI(1.0)                0.0
                         (S)   98 O   14 SI(1.0)                0.0
                         (S)   99 O   15 SI(1.0)                0.0
                         (S)  100 O   16 SI(1.0)                0.0
  366   1001.4484  (AU )
                         (S)   93 O    9 SI(1.0)                0.0
                         (S)   94 O   10 SI(1.0)                0.0
                         (S)   95 O   11 SI(1.0)                0.0
                         (S)   96 O   12 SI(1.0)                0.0
                         (S)   97 O   13 SI(1.0)                0.0
                         (S)   98 O   14 SI(1.0)                0.0
                         (S)   99 O   15 SI(1.0)                0.0
                         (S)  100 O   16 SI(1.0)                0.0
  367   1014.1777  (B3G)
                         (S)  117 O   17 SI(0.8)  52 CA(0.2)   -0.1
                         (S)  120 O   17 SI(0.8)  52 CA(0.2)    0.0
                         (S)  118 O   18 SI(0.8)  51 CA(0.2)    0.0
                         (S)   18 SI 119 O (0.8)  51 CA(0.2)    0.0
                         (S)  121 O   19 SI(0.8)  50 CA(0.2)    0.0
                         (S)  124 O   19 SI(0.8) 121 O (0.2)    0.0
                         (S)  122 O   20 SI(0.8)  49 CA(0.2)    0.0
                         (S)  123 O   20 SI(0.8)  49 CA(0.2)    0.0
  368   1014.4907  (AU )
                         (S)  117 O   17 SI(0.8)  52 CA(0.2)   -0.1
                         (S)  120 O   17 SI(0.8)  52 CA(0.2)    0.0
                         (S)  118 O   18 SI(0.8)  51 CA(0.2)    0.0
                         (S)   18 SI 119 O (0.8)  51 CA(0.2)    0.0
                         (S)  121 O   19 SI(0.8)  50 CA(0.2)    0.0
                         (S)  124 O   19 SI(0.8) 121 O (0.2)    0.0
                         (S)  122 O   20 SI(0.8)  49 CA(0.2)    0.0
                         (S)  123 O   20 SI(0.8)  49 CA(0.2)    0.0
  369   1037.6798  (B1G)
                         (S)  117 O   17 SI(0.9)               -0.1
                         (S)  120 O   17 SI(0.9)                0.0
                         (S)  118 O   18 SI(0.9)                0.0
                         (S)  119 O   18 SI(0.9)                0.0
                         (S)  121 O   19 SI(0.9)                0.0
                         (S)  124 O   19 SI(0.9)                0.0
                         (S)  122 O   20 SI(0.9)                0.0
                         (S)  123 O   20 SI(0.9)                0.0
  370   1038.0061  (B2U)
                         (S)  117 O   17 SI(0.9)               -0.1
                         (S)  120 O   17 SI(0.9)                0.0
                         (S)  118 O   18 SI(0.9)                0.0
                         (S)  119 O   18 SI(0.9)                0.0
                         (S)  121 O   19 SI(0.9)                0.0
                         (S)  124 O   19 SI(0.9)                0.0
                         (S)  122 O   20 SI(0.9)                0.0
                         (S)  123 O   20 SI(0.9)                0.0
  371   1047.0913  (B1U)
                         (S)  117 O   17 SI(0.9)               -0.2
                         (S)  120 O   17 SI(0.9)                0.0
                         (S)  118 O   18 SI(0.9)                0.1
                         (S)  119 O   18 SI(0.9)                0.0
                         (S)  121 O   19 SI(0.9)                0.0
                         (S)  124 O   19 SI(0.9)                0.0
                         (S)  122 O   20 SI(0.9)                0.0
                         (S)  123 O   20 SI(0.9)                0.0
  372   1059.7395  (B2G)
                         (S)  117 O   17 SI(0.9)               -0.2
                         (S)  120 O   17 SI(0.9)                0.0
                         (S)  118 O   18 SI(0.9)                0.1
                         (S)  119 O   18 SI(0.9)                0.0
                         (S)  121 O   19 SI(0.9)                0.0
                         (S)  124 O   19 SI(0.9)                0.0
                         (S)  122 O   20 SI(0.9)                0.0
                         (S)  123 O   20 SI(0.9)                0.0

 NORMAL MODES NORMALIZED TO CLASSICAL AMPLITUDES

 FREQ(CM**-1)     -3.22     -2.19     -2.07     42.31     46.70     49.98

 AT.   1 SI X     0.1125   -0.0005   -0.0001   -0.0006    0.0008    0.0366
            Y    -0.0003   -0.0002    0.1389    0.0374    0.0133   -0.0001
            Z     0.0002    0.1354    0.0014    0.0017   -0.0021    0.0027
 AT.   2 SI X     0.1125    0.0005   -0.0001    0.0006   -0.0008   -0.0366
            Y    -0.0003    0.0002    0.1389   -0.0374   -0.0133    0.0001
            Z    -0.0002    0.1354   -0.0014    0.0017   -0.0021    0.0027
 AT.   3 SI X     0.1125    0.0005    0.0001    0.0006    0.0008    0.0366
            Y     0.0003   -0.0002    0.1389    0.0374   -0.0133    0.0001
            Z    -0.0002    0.1354    0.0014    0.0017    0.0021   -0.0027
 AT.   4 SI X     0.1125   -0.0005    0.0001   -0.0006   -0.0008   -0.0366
            Y     0.0003    0.0002    0.1389   -0.0374    0.0133   -0.0001
            Z     0.0002    0.1354   -0.0014    0.0017    0.0021   -0.0027
 AT.   5 SI X     0.1125   -0.0005   -0.0001   -0.0006   -0.0008    0.0366
            Y    -0.0003   -0.0002    0.1389    0.0374   -0.0133   -0.0001
            Z     0.0002    0.1354    0.0014    0.0017    0.0021    0.0027
 AT.   6 SI X     0.1125    0.0005   -0.0001    0.0006    0.0008   -0.0366
            Y    -0.0003    0.0002    0.1389   -0.0374    0.0133    0.0001
            Z    -0.0002    0.1354   -0.0014    0.0017    0.0021    0.0027
 AT.   7 SI X     0.1125    0.0005    0.0001    0.0006   -0.0008    0.0366
            Y     0.0003   -0.0002    0.1389    0.0374    0.0133    0.0001
            Z    -0.0002    0.1354    0.0014    0.0017   -0.0021   -0.0027
 AT.   8 SI X     0.1125   -0.0005    0.0001   -0.0006    0.0008   -0.0366
            Y     0.0003    0.0002    0.1389   -0.0374   -0.0133   -0.0001
            Z     0.0002    0.1354   -0.0014    0.0017   -0.0021   -0.0027
 AT.   9 SI X     0.1115    0.0005    0.0004   -0.0022   -0.0003    0.0209
            Y    -0.0004   -0.0008    0.1396    0.0213    0.0371   -0.0012
            Z    -0.0011    0.1355    0.0010   -0.0007   -0.0011    0.0010
 AT.  10 SI X     0.1115   -0.0005    0.0004    0.0022    0.0003   -0.0209
            Y    -0.0004    0.0008    0.1396   -0.0213   -0.0371    0.0012
            Z     0.0011    0.1355   -0.0010   -0.0007   -0.0011    0.0010
 AT.  11 SI X     0.1115   -0.0005   -0.0004    0.0022   -0.0003    0.0209
            Y     0.0004   -0.0008    0.1396    0.0213   -0.0371    0.0012
            Z     0.0011    0.1355    0.0010   -0.0007    0.0011   -0.0010
 AT.  12 SI X     0.1115    0.0005   -0.0004   -0.0022    0.0003   -0.0209
            Y     0.0004    0.0008    0.1396   -0.0213    0.0371   -0.0012
            Z    -0.0011    0.1355   -0.0010   -0.0007    0.0011   -0.0010
 AT.  13 SI X     0.1115    0.0005    0.0004   -0.0022    0.0003    0.0209
            Y    -0.0004   -0.0008    0.1396    0.0213   -0.0371   -0.0012
            Z    -0.0011    0.1355    0.0010   -0.0007    0.0011    0.0010
 AT.  14 SI X     0.1115   -0.0005    0.0004    0.0022   -0.0003   -0.0209
            Y    -0.0004    0.0008    0.1396   -0.0213    0.0371    0.0012
            Z     0.0011    0.1355   -0.0010   -0.0007    0.0011    0.0010
 AT.  15 SI X     0.1115   -0.0005   -0.0004    0.0022    0.0003    0.0209
            Y     0.0004   -0.0008    0.1396    0.0213    0.0371    0.0012
            Z     0.0011    0.1355    0.0010   -0.0007   -0.0011   -0.0010
 AT.  16 SI X     0.1115    0.0005   -0.0004   -0.0022   -0.0003   -0.0209
            Y     0.0004    0.0008    0.1396   -0.0213   -0.0371   -0.0012
            Z    -0.0011    0.1355   -0.0010   -0.0007   -0.0011   -0.0010
 AT.  17 SI X     0.1120   -0.0006    0.0000    0.0048    0.0000    0.0000
            Y     0.0000    0.0000    0.1394    0.0000    0.0413    0.0003
            Z    -0.0003    0.1357    0.0000   -0.0131    0.0000    0.0000
 AT.  18 SI X     0.1120    0.0006    0.0000   -0.0048    0.0000    0.0000
            Y     0.0000    0.0000    0.1394    0.0000   -0.0413   -0.0003
            Z     0.0003    0.1357    0.0000   -0.0131    0.0000    0.0000
 AT.  19 SI X     0.1120   -0.0006    0.0000    0.0048    0.0000    0.0000
            Y     0.0000    0.0000    0.1394    0.0000   -0.0413    0.0003
            Z    -0.0003    0.1357    0.0000   -0.0131    0.0000    0.0000
 AT.  20 SI X     0.1120    0.0006    0.0000   -0.0048    0.0000    0.0000
            Y     0.0000    0.0000    0.1394    0.0000    0.0413   -0.0003
            Z     0.0003    0.1357    0.0000   -0.0131    0.0000    0.0000
 AT.  21 CA X     0.1120    0.0002    0.0002   -0.0006    0.0000    0.0367
            Y     0.0002   -0.0004    0.1391    0.0383    0.0138   -0.0001
            Z     0.0001    0.1358    0.0017    0.0010    0.0015   -0.0003
 AT.  22 CA X     0.1120   -0.0002    0.0002    0.0006    0.0000   -0.0367
            Y     0.0002    0.0004    0.1391   -0.0383   -0.0138    0.0001
            Z    -0.0001    0.1358   -0.0017    0.0010    0.0015   -0.0003
 AT.  23 CA X     0.1120   -0.0002   -0.0002    0.0006    0.0000    0.0367
            Y    -0.0002   -0.0004    0.1391    0.0383   -0.0138    0.0001
            Z    -0.0001    0.1358    0.0017    0.0010   -0.0015    0.0003
 AT.  24 CA X     0.1120    0.0002   -0.0002   -0.0006    0.0000   -0.0367
            Y    -0.0002    0.0004    0.1391   -0.0383    0.0138   -0.0001
            Z     0.0001    0.1358   -0.0017    0.0010   -0.0015    0.0003
 AT.  25 CA X     0.1120    0.0002    0.0002   -0.0006    0.0000    0.0367
            Y     0.0002   -0.0004    0.1391    0.0383   -0.0138   -0.0001
            Z     0.0001    0.1358    0.0017    0.0010   -0.0015   -0.0003
 AT.  26 CA X     0.1120   -0.0002    0.0002    0.0006    0.0000   -0.0367
            Y     0.0002    0.0004    0.1391   -0.0383    0.0138    0.0001
            Z    -0.0001    0.1358   -0.0017    0.0010   -0.0015   -0.0003
 AT.  27 CA X     0.1120   -0.0002   -0.0002    0.0006    0.0000    0.0367
            Y    -0.0002   -0.0004    0.1391    0.0383    0.0138    0.0001
            Z    -0.0001    0.1358    0.0017    0.0010    0.0015    0.0003
 AT.  28 CA X     0.1120    0.0002   -0.0002   -0.0006    0.0000   -0.0367
            Y    -0.0002    0.0004    0.1391   -0.0383   -0.0138   -0.0001
            Z     0.0001    0.1358   -0.0017    0.0010    0.0015    0.0003
 AT.  29 CA X     0.1125   -0.0009   -0.0003   -0.0020    0.0000    0.0399
            Y     0.0003   -0.0016    0.1394    0.0390    0.0000    0.0014
            Z     0.0004    0.1367    0.0021    0.0054    0.0000    0.0000
 AT.  30 CA X     0.1125    0.0009   -0.0003    0.0020    0.0000   -0.0399
            Y     0.0003    0.0016    0.1394   -0.0390    0.0000   -0.0014
            Z    -0.0004    0.1367   -0.0021    0.0054    0.0000    0.0000
 AT.  31 CA X     0.1125    0.0009    0.0003    0.0020    0.0000    0.0399
            Y    -0.0003   -0.0016    0.1394    0.0390    0.0000   -0.0014
            Z    -0.0004    0.1367    0.0021    0.0054    0.0000    0.0000
 AT.  32 CA X     0.1125   -0.0009    0.0003   -0.0020    0.0000   -0.0399
            Y    -0.0003    0.0016    0.1394   -0.0390    0.0000    0.0014
            Z     0.0004    0.1367   -0.0021    0.0054    0.0000    0.0000
 AT.  33 CA X     0.1119    0.0004    0.0007    0.0013   -0.0010    0.0275
            Y     0.0010   -0.0004    0.1401    0.0375    0.0277    0.0016
            Z     0.0008    0.1352    0.0024    0.0091   -0.0024    0.0003
 AT.  34 CA X     0.1119   -0.0004    0.0007   -0.0013    0.0010   -0.0275
            Y     0.0010    0.0004    0.1401   -0.0375   -0.0277   -0.0016
            Z    -0.0008    0.1352   -0.0024    0.0091   -0.0024    0.0003
 AT.  35 CA X     0.1119   -0.0004   -0.0007   -0.0013   -0.0010    0.0275
            Y    -0.0010   -0.0004    0.1401    0.0375   -0.0277   -0.0016
            Z    -0.0008    0.1352    0.0024    0.0091    0.0024   -0.0003
 AT.  36 CA X     0.1119    0.0004   -0.0007    0.0013    0.0010   -0.0275
            Y    -0.0010    0.0004    0.1401   -0.0375    0.0277    0.0016
            Z     0.0008    0.1352   -0.0024    0.0091    0.0024   -0.0003
 AT.  37 CA X     0.1119    0.0004    0.0007    0.0013    0.0010    0.0275
            Y     0.0010   -0.0004    0.1401    0.0375   -0.0277    0.0016
            Z     0.0008    0.1352    0.0024    0.0091    0.0024    0.0003
 AT.  38 CA X     0.1119   -0.0004    0.0007   -0.0013   -0.0010   -0.0275
            Y     0.0010    0.0004    0.1401   -0.0375    0.0277   -0.0016
            Z    -0.0008    0.1352   -0.0024    0.0091    0.0024    0.0003
 AT.  39 CA X     0.1119   -0.0004   -0.0007   -0.0013    0.0010    0.0275
            Y    -0.0010   -0.0004    0.1401    0.0375    0.0277   -0.0016
            Z    -0.0008    0.1352    0.0024    0.0091   -0.0024   -0.0003
 AT.  40 CA X     0.1119    0.0004   -0.0007    0.0013   -0.0010   -0.0275
            Y    -0.0010    0.0004    0.1401   -0.0375   -0.0277    0.0016
            Z     0.0008    0.1352   -0.0024    0.0091   -0.0024   -0.0003
 AT.  41 CA X     0.1121   -0.0006   -0.0004    0.0008   -0.0006    0.0194
            Y    -0.0009   -0.0005    0.1394    0.0247    0.0364   -0.0009
            Z     0.0003    0.1347    0.0011   -0.0019   -0.0019    0.0079
 AT.  42 CA X     0.1121    0.0006   -0.0004   -0.0008    0.0006   -0.0194
            Y    -0.0009    0.0005    0.1394   -0.0247   -0.0364    0.0009
            Z    -0.0003    0.1347   -0.0011   -0.0019   -0.0019    0.0079
 AT.  43 CA X     0.1121    0.0006    0.0004   -0.0008   -0.0006    0.0194
            Y     0.0009   -0.0005    0.1394    0.0247   -0.0364    0.0009
            Z    -0.0003    0.1347    0.0011   -0.0019    0.0019   -0.0079
 AT.  44 CA X     0.1121   -0.0006    0.0004    0.0008    0.0006   -0.0194
            Y     0.0009    0.0005    0.1394   -0.0247    0.0364   -0.0009
            Z     0.0003    0.1347   -0.0011   -0.0019    0.0019   -0.0079
 AT.  45 CA X     0.1121   -0.0006   -0.0004    0.0008    0.0006    0.0194
            Y    -0.0009   -0.0005    0.1394    0.0247   -0.0364   -0.0009
            Z     0.0003    0.1347    0.0011   -0.0019    0.0019    0.0079
 AT.  46 CA X     0.1121    0.0006   -0.0004   -0.0008   -0.0006   -0.0194
            Y    -0.0009    0.0005    0.1394   -0.0247    0.0364    0.0009
            Z    -0.0003    0.1347   -0.0011   -0.0019    0.0019    0.0079
 AT.  47 CA X     0.1121    0.0006    0.0004   -0.0008    0.0006    0.0194
            Y     0.0009   -0.0005    0.1394    0.0247    0.0364    0.0009
            Z    -0.0003    0.1347    0.0011   -0.0019   -0.0019   -0.0079
 AT.  48 CA X     0.1121   -0.0006    0.0004    0.0008   -0.0006   -0.0194
            Y     0.0009    0.0005    0.1394   -0.0247   -0.0364   -0.0009
            Z     0.0003    0.1347   -0.0011   -0.0019   -0.0019   -0.0079
 AT.  49 CA X     0.1081    0.0006    0.0000    0.0044    0.0000    0.0000
            Y     0.0000    0.0000    0.1398    0.0000    0.0419    0.0011
            Z    -0.0001    0.1337    0.0000   -0.0004    0.0000    0.0000
 AT.  50 CA X     0.1081   -0.0006    0.0000   -0.0044    0.0000    0.0000
            Y     0.0000    0.0000    0.1398    0.0000   -0.0419   -0.0011
            Z     0.0001    0.1337    0.0000   -0.0004    0.0000    0.0000
 AT.  51 CA X     0.1081    0.0006    0.0000    0.0044    0.0000    0.0000
            Y     0.0000    0.0000    0.1398    0.0000   -0.0419    0.0011
            Z    -0.0001    0.1337    0.0000   -0.0004    0.0000    0.0000
 AT.  52 CA X     0.1081   -0.0006    0.0000   -0.0044    0.0000    0.0000
            Y     0.0000    0.0000    0.1398    0.0000    0.0419   -0.0011
            Z     0.0001    0.1337    0.0000   -0.0004    0.0000    0.0000
 AT.  53 O  X     0.1119   -0.0005    0.0011   -0.0005    0.0008    0.0360
            Y     0.0000   -0.0006    0.1396    0.0379    0.0137    0.0002
            Z     0.0005    0.1358    0.0018    0.0029    0.0032    0.0018
 AT.  54 O  X     0.1119    0.0005    0.0011    0.0005   -0.0008   -0.0360
            Y     0.0000    0.0006    0.1396   -0.0379   -0.0137   -0.0002
            Z    -0.0005    0.1358   -0.0018    0.0029    0.0032    0.0018
 AT.  55 O  X     0.1119    0.0005   -0.0011    0.0005    0.0008    0.0360
            Y     0.0000   -0.0006    0.1396    0.0379   -0.0137   -0.0002
            Z    -0.0005    0.1358    0.0018    0.0029   -0.0032   -0.0018
 AT.  56 O  X     0.1119   -0.0005   -0.0011   -0.0005   -0.0008   -0.0360
            Y     0.0000    0.0006    0.1396   -0.0379    0.0137    0.0002
            Z     0.0005    0.1358   -0.0018    0.0029   -0.0032   -0.0018
 AT.  57 O  X     0.1119   -0.0005    0.0011   -0.0005   -0.0008    0.0360
            Y     0.0000   -0.0006    0.1396    0.0379   -0.0137    0.0002
            Z     0.0005    0.1358    0.0018    0.0029   -0.0032    0.0018
 AT.  58 O  X     0.1119    0.0005    0.0011    0.0005    0.0008   -0.0360
            Y     0.0000    0.0006    0.1396   -0.0379    0.0137   -0.0002
            Z    -0.0005    0.1358   -0.0018    0.0029   -0.0032    0.0018
 AT.  59 O  X     0.1119    0.0005   -0.0011    0.0005   -0.0008    0.0360
            Y     0.0000   -0.0006    0.1396    0.0379    0.0137   -0.0002
            Z    -0.0005    0.1358    0.0018    0.0029    0.0032   -0.0018
 AT.  60 O  X     0.1119   -0.0005   -0.0011   -0.0005    0.0008   -0.0360
            Y     0.0000    0.0006    0.1396   -0.0379   -0.0137    0.0002
            Z     0.0005    0.1358   -0.0018    0.0029    0.0032   -0.0018
 AT.  61 O  X     0.1124    0.0001   -0.0004   -0.0022    0.0041    0.0343
            Y    -0.0004   -0.0007    0.1393    0.0373    0.0204   -0.0011
            Z     0.0001    0.1352    0.0010    0.0001   -0.0036    0.0023
 AT.  62 O  X     0.1124   -0.0001   -0.0004    0.0022   -0.0041   -0.0343
            Y    -0.0004    0.0007    0.1393   -0.0373   -0.0204    0.0011
            Z    -0.0001    0.1352   -0.0010    0.0001   -0.0036    0.0023
 AT.  63 O  X     0.1124   -0.0001    0.0004    0.0022    0.0041    0.0343
            Y     0.0004   -0.0007    0.1393    0.0373   -0.0204    0.0011
            Z    -0.0001    0.1352    0.0010    0.0001    0.0036   -0.0023
 AT.  64 O  X     0.1124    0.0001    0.0004   -0.0022   -0.0041   -0.0343
            Y     0.0004    0.0007    0.1393   -0.0373    0.0204   -0.0011
            Z     0.0001    0.1352   -0.0010    0.0001    0.0036   -0.0023
 AT.  65 O  X     0.1124    0.0001   -0.0004   -0.0022   -0.0041    0.0343
            Y    -0.0004   -0.0007    0.1393    0.0373   -0.0204   -0.0011
            Z     0.0001    0.1352    0.0010    0.0001    0.0036    0.0023
 AT.  66 O  X     0.1124   -0.0001   -0.0004    0.0022    0.0041   -0.0343
            Y    -0.0004    0.0007    0.1393   -0.0373    0.0204    0.0011
            Z    -0.0001    0.1352   -0.0010    0.0001    0.0036    0.0023
 AT.  67 O  X     0.1124   -0.0001    0.0004    0.0022   -0.0041    0.0343
            Y     0.0004   -0.0007    0.1393    0.0373    0.0204    0.0011
            Z    -0.0001    0.1352    0.0010    0.0001   -0.0036   -0.0023
 AT.  68 O  X     0.1124    0.0001    0.0004   -0.0022    0.0041   -0.0343
            Y     0.0004    0.0007    0.1393   -0.0373   -0.0204   -0.0011
            Z     0.0001    0.1352   -0.0010    0.0001   -0.0036   -0.0023
 AT.  69 O  X     0.1124    0.0000    0.0000    0.0007   -0.0024    0.0386
            Y    -0.0003   -0.0012    0.1388    0.0371    0.0048    0.0010
            Z     0.0002    0.1357    0.0014    0.0006   -0.0043    0.0022
 AT.  70 O  X     0.1124    0.0000    0.0000   -0.0007    0.0024   -0.0386
            Y    -0.0003    0.0012    0.1388   -0.0371   -0.0048   -0.0010
            Z    -0.0002    0.1357   -0.0014    0.0006   -0.0043    0.0022
 AT.  71 O  X     0.1124    0.0000    0.0000   -0.0007   -0.0024    0.0386
            Y     0.0003   -0.0012    0.1388    0.0371   -0.0048   -0.0010
            Z    -0.0002    0.1357    0.0014    0.0006    0.0043   -0.0022
 AT.  72 O  X     0.1124    0.0000    0.0000    0.0007    0.0024   -0.0386
            Y     0.0003    0.0012    0.1388   -0.0371    0.0048    0.0010
            Z     0.0002    0.1357   -0.0014    0.0006    0.0043   -0.0022
 AT.  73 O  X     0.1124    0.0000    0.0000    0.0007    0.0024    0.0386
            Y    -0.0003   -0.0012    0.1388    0.0371   -0.0048    0.0010
            Z     0.0002    0.1357    0.0014    0.0006    0.0043    0.0022
 AT.  74 O  X     0.1124    0.0000    0.0000   -0.0007   -0.0024   -0.0386
            Y    -0.0003    0.0012    0.1388   -0.0371    0.0048   -0.0010
            Z    -0.0002    0.1357   -0.0014    0.0006    0.0043    0.0022
 AT.  75 O  X     0.1124    0.0000    0.0000   -0.0007    0.0024    0.0386
            Y     0.0003   -0.0012    0.1388    0.0371    0.0048   -0.0010
            Z    -0.0002    0.1357    0.0014    0.0006   -0.0043   -0.0022
 AT.  76 O  X     0.1124    0.0000    0.0000    0.0007   -0.0024   -0.0386
            Y     0.0003    0.0012    0.1388   -0.0371   -0.0048    0.0010
            Z     0.0002    0.1357   -0.0014    0.0006   -0.0043   -0.0022
 AT.  77 O  X     0.1115   -0.0002    0.0002   -0.0006    0.0007    0.0363
            Y    -0.0004   -0.0005    0.1399    0.0373    0.0138   -0.0005
            Z     0.0001    0.1356    0.0020    0.0040   -0.0048    0.0015
 AT.  78 O  X     0.1115    0.0002    0.0002    0.0006   -0.0007   -0.0363
            Y    -0.0004    0.0005    0.1399   -0.0373   -0.0138    0.0005
            Z    -0.0001    0.1356   -0.0020    0.0040   -0.0048    0.0015
 AT.  79 O  X     0.1115    0.0002   -0.0002    0.0006    0.0007    0.0363
            Y     0.0004   -0.0005    0.1399    0.0373   -0.0138    0.0005
            Z    -0.0001    0.1356    0.0020    0.0040    0.0048   -0.0015
 AT.  80 O  X     0.1115   -0.0002   -0.0002   -0.0006   -0.0007   -0.0363
            Y     0.0004    0.0005    0.1399   -0.0373    0.0138   -0.0005
            Z     0.0001    0.1356   -0.0020    0.0040    0.0048   -0.0015
 AT.  81 O  X     0.1115   -0.0002    0.0002   -0.0006   -0.0007    0.0363
            Y    -0.0004   -0.0005    0.1399    0.0373   -0.0138   -0.0005
            Z     0.0001    0.1356    0.0020    0.0040    0.0048    0.0015
 AT.  82 O  X     0.1115    0.0002    0.0002    0.0006    0.0007   -0.0363
            Y    -0.0004    0.0005    0.1399   -0.0373    0.0138    0.0005
            Z    -0.0001    0.1356   -0.0020    0.0040    0.0048    0.0015
 AT.  83 O  X     0.1115    0.0002   -0.0002    0.0006   -0.0007    0.0363
            Y     0.0004   -0.0005    0.1399    0.0373    0.0138    0.0005
            Z    -0.0001    0.1356    0.0020    0.0040   -0.0048   -0.0015
 AT.  84 O  X     0.1115   -0.0002   -0.0002   -0.0006    0.0007   -0.0363
            Y     0.0004    0.0005    0.1399   -0.0373   -0.0138   -0.0005
            Z     0.0001    0.1356   -0.0020    0.0040   -0.0048   -0.0015
 AT.  85 O  X     0.1128   -0.0003    0.0008   -0.0001   -0.0009    0.0262
            Y     0.0004   -0.0004    0.1397    0.0269    0.0315    0.0004
            Z    -0.0002    0.1354    0.0014   -0.0019    0.0013    0.0030
 AT.  86 O  X     0.1128    0.0003    0.0008    0.0001    0.0009   -0.0262
            Y     0.0004    0.0004    0.1397   -0.0269   -0.0315   -0.0004
            Z     0.0002    0.1354   -0.0014   -0.0019    0.0013    0.0030
 AT.  87 O  X     0.1128    0.0003   -0.0008    0.0001   -0.0009    0.0262
            Y    -0.0004   -0.0004    0.1397    0.0269   -0.0315   -0.0004
            Z     0.0002    0.1354    0.0014   -0.0019   -0.0013   -0.0030
 AT.  88 O  X     0.1128   -0.0003   -0.0008   -0.0001    0.0009   -0.0262
            Y    -0.0004    0.0004    0.1397   -0.0269    0.0315    0.0004
            Z    -0.0002    0.1354   -0.0014   -0.0019   -0.0013   -0.0030
 AT.  89 O  X     0.1128   -0.0003    0.0008   -0.0001    0.0009    0.0262
            Y     0.0004   -0.0004    0.1397    0.0269   -0.0315    0.0004
            Z    -0.0002    0.1354    0.0014   -0.0019   -0.0013    0.0030
 AT.  90 O  X     0.1128    0.0003    0.0008    0.0001   -0.0009   -0.0262
            Y     0.0004    0.0004    0.1397   -0.0269    0.0315   -0.0004
            Z     0.0002    0.1354   -0.0014   -0.0019   -0.0013    0.0030
 AT.  91 O  X     0.1128    0.0003   -0.0008    0.0001    0.0009    0.0262
            Y    -0.0004   -0.0004    0.1397    0.0269    0.0315   -0.0004
            Z     0.0002    0.1354    0.0014   -0.0019    0.0013   -0.0030
 AT.  92 O  X     0.1128   -0.0003   -0.0008   -0.0001   -0.0009   -0.0262
            Y    -0.0004    0.0004    0.1397   -0.0269   -0.0315    0.0004
            Z    -0.0002    0.1354   -0.0014   -0.0019    0.0013   -0.0030
 AT.  93 O  X     0.1119    0.0014   -0.0009   -0.0060   -0.0005    0.0230
            Y    -0.0009   -0.0005    0.1391    0.0215    0.0373   -0.0020
            Z     0.0000    0.1371    0.0014    0.0011   -0.0043    0.0030
 AT.  94 O  X     0.1119   -0.0014   -0.0009    0.0060    0.0005   -0.0230
            Y    -0.0009    0.0005    0.1391   -0.0215   -0.0373    0.0020
            Z     0.0000    0.1371   -0.0014    0.0011   -0.0043    0.0030
 AT.  95 O  X     0.1119   -0.0014    0.0009    0.0060   -0.0005    0.0230
            Y     0.0009   -0.0005    0.1391    0.0215   -0.0373    0.0020
            Z     0.0000    0.1371    0.0014    0.0011    0.0043   -0.0030
 AT.  96 O  X     0.1119    0.0014    0.0009   -0.0060    0.0005   -0.0230
            Y     0.0009    0.0005    0.1391   -0.0215    0.0373   -0.0020
            Z     0.0000    0.1371   -0.0014    0.0011    0.0043   -0.0030
 AT.  97 O  X     0.1119    0.0014   -0.0009   -0.0060    0.0005    0.0230
            Y    -0.0009   -0.0005    0.1391    0.0215   -0.0373   -0.0020
            Z     0.0000    0.1371    0.0014    0.0011    0.0043    0.0030
 AT.  98 O  X     0.1119   -0.0014   -0.0009    0.0060   -0.0005   -0.0230
            Y    -0.0009    0.0005    0.1391   -0.0215    0.0373    0.0020
            Z     0.0000    0.1371   -0.0014    0.0011    0.0043    0.0030
 AT.  99 O  X     0.1119   -0.0014    0.0009    0.0060    0.0005    0.0230
            Y     0.0009   -0.0005    0.1391    0.0215    0.0373    0.0020
            Z     0.0000    0.1371    0.0014    0.0011   -0.0043   -0.0030
 AT. 100 O  X     0.1119    0.0014    0.0009   -0.0060   -0.0005   -0.0230
            Y     0.0009    0.0005    0.1391   -0.0215   -0.0373   -0.0020
            Z     0.0000    0.1371   -0.0014    0.0011   -0.0043   -0.0030
 AT. 101 O  X     0.1113   -0.0003    0.0001   -0.0018    0.0001    0.0099
            Y    -0.0006   -0.0011    0.1394    0.0156    0.0412   -0.0024
            Z    -0.0013    0.1350    0.0009   -0.0032    0.0007    0.0055
 AT. 102 O  X     0.1113    0.0003    0.0001    0.0018   -0.0001   -0.0099
            Y    -0.0006    0.0011    0.1394   -0.0156   -0.0412    0.0024
            Z     0.0013    0.1350   -0.0009   -0.0032    0.0007    0.0055
 AT. 103 O  X     0.1113    0.0003   -0.0001    0.0018    0.0001    0.0099
            Y     0.0006   -0.0011    0.1394    0.0156   -0.0412    0.0024
            Z     0.0013    0.1350    0.0009   -0.0032   -0.0007   -0.0055
 AT. 104 O  X     0.1113   -0.0003   -0.0001   -0.0018   -0.0001   -0.0099
            Y     0.0006    0.0011    0.1394   -0.0156    0.0412   -0.0024
            Z    -0.0013    0.1350   -0.0009   -0.0032   -0.0007   -0.0055
 AT. 105 O  X     0.1113   -0.0003    0.0001   -0.0018   -0.0001    0.0099
            Y    -0.0006   -0.0011    0.1394    0.0156   -0.0412   -0.0024
            Z    -0.0013    0.1350    0.0009   -0.0032   -0.0007    0.0055
 AT. 106 O  X     0.1113    0.0003    0.0001    0.0018    0.0001   -0.0099
            Y    -0.0006    0.0011    0.1394   -0.0156    0.0412    0.0024
            Z     0.0013    0.1350   -0.0009   -0.0032   -0.0007    0.0055
 AT. 107 O  X     0.1113    0.0003   -0.0001    0.0018   -0.0001    0.0099
            Y     0.0006   -0.0011    0.1394    0.0156    0.0412    0.0024
            Z     0.0013    0.1350    0.0009   -0.0032    0.0007   -0.0055
 AT. 108 O  X     0.1113   -0.0003   -0.0001   -0.0018    0.0001   -0.0099
            Y     0.0006    0.0011    0.1394   -0.0156   -0.0412   -0.0024
            Z    -0.0013    0.1350   -0.0009   -0.0032    0.0007   -0.0055
 AT. 109 O  X     0.1127    0.0001    0.0001   -0.0023   -0.0001    0.0211
            Y    -0.0003    0.0002    0.1387    0.0180    0.0367    0.0007
            Z    -0.0023    0.1359    0.0011    0.0019   -0.0004   -0.0042
 AT. 110 O  X     0.1127   -0.0001    0.0001    0.0023    0.0001   -0.0211
            Y    -0.0003   -0.0002    0.1387   -0.0180   -0.0367   -0.0007
            Z     0.0023    0.1359   -0.0011    0.0019   -0.0004   -0.0042
 AT. 111 O  X     0.1127   -0.0001   -0.0001    0.0023   -0.0001    0.0211
            Y     0.0003    0.0002    0.1387    0.0180   -0.0367   -0.0007
            Z     0.0023    0.1359    0.0011    0.0019    0.0004    0.0042
 AT. 112 O  X     0.1127    0.0001   -0.0001   -0.0023    0.0001   -0.0211
            Y     0.0003   -0.0002    0.1387   -0.0180    0.0367    0.0007
            Z    -0.0023    0.1359   -0.0011    0.0019    0.0004    0.0042
 AT. 113 O  X     0.1127    0.0001    0.0001   -0.0023    0.0001    0.0211
            Y    -0.0003    0.0002    0.1387    0.0180   -0.0367    0.0007
            Z    -0.0023    0.1359    0.0011    0.0019    0.0004   -0.0042
 AT. 114 O  X     0.1127   -0.0001    0.0001    0.0023   -0.0001   -0.0211
            Y    -0.0003   -0.0002    0.1387   -0.0180    0.0367   -0.0007
            Z     0.0023    0.1359   -0.0011    0.0019    0.0004   -0.0042
 AT. 115 O  X     0.1127   -0.0001   -0.0001    0.0023    0.0001    0.0211
            Y     0.0003    0.0002    0.1387    0.0180    0.0367   -0.0007
            Z     0.0023    0.1359    0.0011    0.0019   -0.0004    0.0042
 AT. 116 O  X     0.1127    0.0001   -0.0001   -0.0023   -0.0001   -0.0211
            Y     0.0003   -0.0002    0.1387   -0.0180   -0.0367    0.0007
            Z    -0.0023    0.1359   -0.0011    0.0019   -0.0004    0.0042
 AT. 117 O  X     0.1124   -0.0014    0.0015    0.0082   -0.0002    0.0118
            Y     0.0008    0.0006    0.1390    0.0037    0.0404   -0.0021
            Z    -0.0008    0.1360   -0.0005   -0.0197    0.0008   -0.0083
 AT. 118 O  X     0.1124    0.0014    0.0015   -0.0082    0.0002   -0.0118
            Y     0.0008   -0.0006    0.1390   -0.0037   -0.0404    0.0021
            Z     0.0008    0.1360    0.0005   -0.0197    0.0008   -0.0083
 AT. 119 O  X     0.1124    0.0014   -0.0015   -0.0082   -0.0002    0.0118
            Y    -0.0008    0.0006    0.1390    0.0037   -0.0404    0.0021
            Z     0.0008    0.1360   -0.0005   -0.0197   -0.0008    0.0083
 AT. 120 O  X     0.1124   -0.0014   -0.0015    0.0082    0.0002   -0.0118
            Y    -0.0008   -0.0006    0.1390   -0.0037    0.0404   -0.0021
            Z    -0.0008    0.1360    0.0005   -0.0197   -0.0008    0.0083
 AT. 121 O  X     0.1124   -0.0014    0.0015    0.0082    0.0002    0.0118
            Y     0.0008    0.0006    0.1390    0.0037   -0.0404   -0.0021
            Z    -0.0008    0.1360   -0.0005   -0.0197   -0.0008   -0.0083
 AT. 122 O  X     0.1124    0.0014    0.0015   -0.0082   -0.0002   -0.0118
            Y     0.0008   -0.0006    0.1390   -0.0037    0.0404    0.0021
            Z     0.0008    0.1360    0.0005   -0.0197   -0.0008   -0.0083
 AT. 123 O  X     0.1124    0.0014   -0.0015   -0.0082    0.0002    0.0118
            Y    -0.0008    0.0006    0.1390    0.0037    0.0404    0.0021
            Z     0.0008    0.1360   -0.0005   -0.0197    0.0008    0.0083
 AT. 124 O  X     0.1124   -0.0014   -0.0015    0.0082   -0.0002   -0.0118
            Y    -0.0008   -0.0006    0.1390   -0.0037   -0.0404   -0.0021
            Z    -0.0008    0.1360    0.0005   -0.0197    0.0008    0.0083

 FREQ(CM**-1)     51.31     66.60     75.27     77.17     88.16     91.19

 AT.   1 SI X    -0.0124   -0.0005    0.0008   -0.0073    0.0021   -0.0152
            Y     0.0002   -0.0054    0.0114   -0.0035   -0.0087   -0.0069
            Z     0.0035   -0.0273   -0.0074   -0.0177   -0.0084    0.0014
 AT.   2 SI X     0.0124   -0.0005    0.0008   -0.0073    0.0021   -0.0152
            Y    -0.0002   -0.0054    0.0114   -0.0035   -0.0087   -0.0069
            Z     0.0035    0.0273    0.0074    0.0177    0.0084   -0.0014
 AT.   3 SI X     0.0124    0.0005    0.0008   -0.0073    0.0021   -0.0152
            Y     0.0002   -0.0054   -0.0114    0.0035    0.0087    0.0069
            Z     0.0035   -0.0273    0.0074    0.0177    0.0084   -0.0014
 AT.   4 SI X    -0.0124    0.0005    0.0008   -0.0073    0.0021   -0.0152
            Y    -0.0002   -0.0054   -0.0114    0.0035    0.0087    0.0069
            Z     0.0035    0.0273   -0.0074   -0.0177   -0.0084    0.0014
 AT.   5 SI X     0.0124   -0.0005   -0.0008   -0.0073   -0.0021   -0.0152
            Y    -0.0002   -0.0054   -0.0114   -0.0035    0.0087   -0.0069
            Z    -0.0035   -0.0273    0.0074   -0.0177    0.0084    0.0014
 AT.   6 SI X    -0.0124   -0.0005   -0.0008   -0.0073   -0.0021   -0.0152
            Y     0.0002   -0.0054   -0.0114   -0.0035    0.0087   -0.0069
            Z    -0.0035    0.0273   -0.0074    0.0177   -0.0084   -0.0014
 AT.   7 SI X    -0.0124    0.0005   -0.0008   -0.0073   -0.0021   -0.0152
            Y    -0.0002   -0.0054    0.0114    0.0035   -0.0087    0.0069
            Z    -0.0035   -0.0273   -0.0074    0.0177   -0.0084   -0.0014
 AT.   8 SI X     0.0124    0.0005   -0.0008   -0.0073   -0.0021   -0.0152
            Y     0.0002   -0.0054    0.0114    0.0035   -0.0087    0.0069
            Z    -0.0035    0.0273    0.0074   -0.0177    0.0084    0.0014
 AT.   9 SI X    -0.0334    0.0008   -0.0039    0.0030    0.0010    0.0072
            Y    -0.0023    0.0051    0.0183    0.0071   -0.0142    0.0033
            Z    -0.0023   -0.0163   -0.0169   -0.0084   -0.0237    0.0189
 AT.  10 SI X     0.0334    0.0008   -0.0039    0.0030    0.0010    0.0072
            Y     0.0023    0.0051    0.0183    0.0071   -0.0142    0.0033
            Z    -0.0023    0.0163    0.0169    0.0084    0.0237   -0.0189
 AT.  11 SI X     0.0334   -0.0008   -0.0039    0.0030    0.0010    0.0072
            Y    -0.0023    0.0051   -0.0183   -0.0071    0.0142   -0.0033
            Z    -0.0023   -0.0163    0.0169    0.0084    0.0237   -0.0189
 AT.  12 SI X    -0.0334   -0.0008   -0.0039    0.0030    0.0010    0.0072
            Y     0.0023    0.0051   -0.0183   -0.0071    0.0142   -0.0033
            Z    -0.0023    0.0163   -0.0169   -0.0084   -0.0237    0.0189
 AT.  13 SI X     0.0334    0.0008    0.0039    0.0030   -0.0010    0.0072
            Y     0.0023    0.0051   -0.0183    0.0071    0.0142    0.0033
            Z     0.0023   -0.0163    0.0169   -0.0084    0.0237    0.0189
 AT.  14 SI X    -0.0334    0.0008    0.0039    0.0030   -0.0010    0.0072
            Y    -0.0023    0.0051   -0.0183    0.0071    0.0142    0.0033
            Z     0.0023    0.0163   -0.0169    0.0084   -0.0237   -0.0189
 AT.  15 SI X    -0.0334   -0.0008    0.0039    0.0030   -0.0010    0.0072
            Y     0.0023    0.0051    0.0183   -0.0071   -0.0142   -0.0033
            Z     0.0023   -0.0163   -0.0169    0.0084   -0.0237   -0.0189
 AT.  16 SI X     0.0334   -0.0008    0.0039    0.0030   -0.0010    0.0072
            Y    -0.0023    0.0051    0.0183   -0.0071   -0.0142   -0.0033
            Z     0.0023    0.0163    0.0169   -0.0084    0.0237    0.0189
 AT.  17 SI X    -0.0396    0.0000    0.0069    0.0141   -0.0050    0.0176
            Y     0.0000    0.0155    0.0000    0.0000    0.0000    0.0000
            Z     0.0001    0.0000   -0.0301   -0.0112   -0.0158    0.0136
 AT.  18 SI X     0.0396    0.0000    0.0069    0.0141   -0.0050    0.0176
            Y     0.0000    0.0155    0.0000    0.0000    0.0000    0.0000
            Z     0.0001    0.0000    0.0301    0.0112    0.0158   -0.0136
 AT.  19 SI X     0.0396    0.0000   -0.0069    0.0141    0.0050    0.0176
            Y     0.0000    0.0155    0.0000    0.0000    0.0000    0.0000
            Z    -0.0001    0.0000    0.0301   -0.0112    0.0158    0.0136
 AT.  20 SI X    -0.0396    0.0000   -0.0069    0.0141    0.0050    0.0176
            Y     0.0000    0.0155    0.0000    0.0000    0.0000    0.0000
            Z    -0.0001    0.0000   -0.0301    0.0112   -0.0158   -0.0136
 AT.  21 CA X    -0.0133    0.0012   -0.0032   -0.0056   -0.0026   -0.0101
            Y     0.0001   -0.0055    0.0126   -0.0002   -0.0123    0.0002
            Z    -0.0046   -0.0246   -0.0052   -0.0111   -0.0094    0.0125
 AT.  22 CA X     0.0133    0.0012   -0.0032   -0.0056   -0.0026   -0.0101
            Y    -0.0001   -0.0055    0.0126   -0.0002   -0.0123    0.0002
            Z    -0.0046    0.0246    0.0052    0.0111    0.0094   -0.0125
 AT.  23 CA X     0.0133   -0.0012   -0.0032   -0.0056   -0.0026   -0.0101
            Y     0.0001   -0.0055   -0.0126    0.0002    0.0123   -0.0002
            Z    -0.0046   -0.0246    0.0052    0.0111    0.0094   -0.0125
 AT.  24 CA X    -0.0133   -0.0012   -0.0032   -0.0056   -0.0026   -0.0101
            Y    -0.0001   -0.0055   -0.0126    0.0002    0.0123   -0.0002
            Z    -0.0046    0.0246   -0.0052   -0.0111   -0.0094    0.0125
 AT.  25 CA X     0.0133    0.0012    0.0032   -0.0056    0.0026   -0.0101
            Y    -0.0001   -0.0055   -0.0126   -0.0002    0.0123    0.0002
            Z     0.0046   -0.0246    0.0052   -0.0111    0.0094    0.0125
 AT.  26 CA X    -0.0133    0.0012    0.0032   -0.0056    0.0026   -0.0101
            Y     0.0001   -0.0055   -0.0126   -0.0002    0.0123    0.0002
            Z     0.0046    0.0246   -0.0052    0.0111   -0.0094   -0.0125
 AT.  27 CA X    -0.0133   -0.0012    0.0032   -0.0056    0.0026   -0.0101
            Y    -0.0001   -0.0055    0.0126    0.0002   -0.0123   -0.0002
            Z     0.0046   -0.0246   -0.0052    0.0111   -0.0094   -0.0125
 AT.  28 CA X     0.0133   -0.0012    0.0032   -0.0056    0.0026   -0.0101
            Y     0.0001   -0.0055    0.0126    0.0002   -0.0123   -0.0002
            Z     0.0046    0.0246    0.0052   -0.0111    0.0094    0.0125
 AT.  29 CA X     0.0000    0.0015    0.0000   -0.0076    0.0000   -0.0195
            Y     0.0000   -0.0034    0.0000    0.0135    0.0000   -0.0212
            Z     0.0000   -0.0336    0.0000   -0.0303    0.0000    0.0123
 AT.  30 CA X     0.0000    0.0015    0.0000   -0.0076    0.0000   -0.0195
            Y     0.0000   -0.0034    0.0000    0.0135    0.0000   -0.0212
            Z     0.0000    0.0336    0.0000    0.0303    0.0000   -0.0123
 AT.  31 CA X     0.0000   -0.0015    0.0000   -0.0076    0.0000   -0.0195
            Y     0.0000   -0.0034    0.0000   -0.0135    0.0000    0.0212
            Z     0.0000   -0.0336    0.0000    0.0303    0.0000   -0.0123
 AT.  32 CA X     0.0000   -0.0015    0.0000   -0.0076    0.0000   -0.0195
            Y     0.0000   -0.0034    0.0000   -0.0135    0.0000    0.0212
            Z     0.0000    0.0336    0.0000   -0.0303    0.0000    0.0123
 AT.  33 CA X    -0.0270   -0.0028    0.0000   -0.0059    0.0011    0.0004
            Y     0.0023   -0.0099    0.0288   -0.0238   -0.0204   -0.0031
            Z     0.0008   -0.0316   -0.0041   -0.0327   -0.0212    0.0140
 AT.  34 CA X     0.0270   -0.0028    0.0000   -0.0059    0.0011    0.0004
            Y    -0.0023   -0.0099    0.0288   -0.0238   -0.0204   -0.0031
            Z     0.0008    0.0316    0.0041    0.0327    0.0212   -0.0140
 AT.  35 CA X     0.0270    0.0028    0.0000   -0.0059    0.0011    0.0004
            Y     0.0023   -0.0099   -0.0288    0.0238    0.0204    0.0031
            Z     0.0008   -0.0316    0.0041    0.0327    0.0212   -0.0140
 AT.  36 CA X    -0.0270    0.0028    0.0000   -0.0059    0.0011    0.0004
            Y    -0.0023   -0.0099   -0.0288    0.0238    0.0204    0.0031
            Z     0.0008    0.0316   -0.0041   -0.0327   -0.0212    0.0140
 AT.  37 CA X     0.0270   -0.0028    0.0000   -0.0059   -0.0011    0.0004
            Y    -0.0023   -0.0099   -0.0288   -0.0238    0.0204   -0.0031
            Z    -0.0008   -0.0316    0.0041   -0.0327    0.0212    0.0140
 AT.  38 CA X    -0.0270   -0.0028    0.0000   -0.0059   -0.0011    0.0004
            Y     0.0023   -0.0099   -0.0288   -0.0238    0.0204   -0.0031
            Z    -0.0008    0.0316   -0.0041    0.0327   -0.0212   -0.0140
 AT.  39 CA X    -0.0270    0.0028    0.0000   -0.0059   -0.0011    0.0004
            Y    -0.0023   -0.0099    0.0288    0.0238   -0.0204    0.0031
            Z    -0.0008   -0.0316   -0.0041    0.0327   -0.0212   -0.0140
 AT.  40 CA X     0.0270    0.0028    0.0000   -0.0059   -0.0011    0.0004
            Y     0.0023   -0.0099    0.0288    0.0238   -0.0204    0.0031
            Z    -0.0008    0.0316    0.0041   -0.0327    0.0212    0.0140
 AT.  41 CA X    -0.0334   -0.0038    0.0011   -0.0003    0.0037    0.0085
            Y     0.0005    0.0013    0.0219   -0.0025   -0.0166    0.0016
            Z     0.0073   -0.0152   -0.0184   -0.0136   -0.0162   -0.0184
 AT.  42 CA X     0.0334   -0.0038    0.0011   -0.0003    0.0037    0.0085
            Y    -0.0005    0.0013    0.0219   -0.0025   -0.0166    0.0016
            Z     0.0073    0.0152    0.0184    0.0136    0.0162    0.0184
 AT.  43 CA X     0.0334    0.0038    0.0011   -0.0003    0.0037    0.0085
            Y     0.0005    0.0013   -0.0219    0.0025    0.0166   -0.0016
            Z     0.0073   -0.0152    0.0184    0.0136    0.0162    0.0184
 AT.  44 CA X    -0.0334    0.0038    0.0011   -0.0003    0.0037    0.0085
            Y    -0.0005    0.0013   -0.0219    0.0025    0.0166   -0.0016
            Z     0.0073    0.0152   -0.0184   -0.0136   -0.0162   -0.0184
 AT.  45 CA X     0.0334   -0.0038   -0.0011   -0.0003   -0.0037    0.0085
            Y    -0.0005    0.0013   -0.0219   -0.0025    0.0166    0.0016
            Z    -0.0073   -0.0152    0.0184   -0.0136    0.0162   -0.0184
 AT.  46 CA X    -0.0334   -0.0038   -0.0011   -0.0003   -0.0037    0.0085
            Y     0.0005    0.0013   -0.0219   -0.0025    0.0166    0.0016
            Z    -0.0073    0.0152   -0.0184    0.0136   -0.0162    0.0184
 AT.  47 CA X    -0.0334    0.0038   -0.0011   -0.0003   -0.0037    0.0085
            Y    -0.0005    0.0013    0.0219    0.0025   -0.0166   -0.0016
            Z    -0.0073   -0.0152   -0.0184    0.0136   -0.0162    0.0184
 AT.  48 CA X     0.0334    0.0038   -0.0011   -0.0003   -0.0037    0.0085
            Y     0.0005    0.0013    0.0219    0.0025   -0.0166   -0.0016
            Z    -0.0073    0.0152    0.0184   -0.0136    0.0162   -0.0184
 AT.  49 CA X    -0.0430    0.0000    0.0035    0.0200   -0.0090    0.0316
            Y     0.0000    0.0140    0.0000    0.0000    0.0000    0.0000
            Z    -0.0010    0.0000   -0.0211   -0.0152   -0.0241    0.0132
 AT.  50 CA X     0.0430    0.0000    0.0035    0.0200   -0.0090    0.0316
            Y     0.0000    0.0140    0.0000    0.0000    0.0000    0.0000
            Z    -0.0010    0.0000    0.0211    0.0152    0.0241   -0.0132
 AT.  51 CA X     0.0430    0.0000   -0.0035    0.0200    0.0090    0.0316
            Y     0.0000    0.0140    0.0000    0.0000    0.0000    0.0000
            Z     0.0010    0.0000    0.0211   -0.0152    0.0241    0.0132
 AT.  52 CA X    -0.0430    0.0000   -0.0035    0.0200    0.0090    0.0316
            Y     0.0000    0.0140    0.0000    0.0000    0.0000    0.0000
            Z     0.0010    0.0000   -0.0211    0.0152   -0.0241   -0.0132
 AT.  53 O  X    -0.0127   -0.0007    0.0006   -0.0081    0.0048   -0.0137
            Y     0.0005   -0.0057    0.0127   -0.0037   -0.0096   -0.0073
            Z     0.0040   -0.0308    0.0009   -0.0283   -0.0134    0.0097
 AT.  54 O  X     0.0127   -0.0007    0.0006   -0.0081    0.0048   -0.0137
            Y    -0.0005   -0.0057    0.0127   -0.0037   -0.0096   -0.0073
            Z     0.0040    0.0308   -0.0009    0.0283    0.0134   -0.0097
 AT.  55 O  X     0.0127    0.0007    0.0006   -0.0081    0.0048   -0.0137
            Y     0.0005   -0.0057   -0.0127    0.0037    0.0096    0.0073
            Z     0.0040   -0.0308   -0.0009    0.0283    0.0134   -0.0097
 AT.  56 O  X    -0.0127    0.0007    0.0006   -0.0081    0.0048   -0.0137
            Y    -0.0005   -0.0057   -0.0127    0.0037    0.0096    0.0073
            Z     0.0040    0.0308    0.0009   -0.0283   -0.0134    0.0097
 AT.  57 O  X     0.0127   -0.0007   -0.0006   -0.0081   -0.0048   -0.0137
            Y    -0.0005   -0.0057   -0.0127   -0.0037    0.0096   -0.0073
            Z    -0.0040   -0.0308   -0.0009   -0.0283    0.0134    0.0097
 AT.  58 O  X    -0.0127   -0.0007   -0.0006   -0.0081   -0.0048   -0.0137
            Y     0.0005   -0.0057   -0.0127   -0.0037    0.0096   -0.0073
            Z    -0.0040    0.0308    0.0009    0.0283   -0.0134   -0.0097
 AT.  59 O  X    -0.0127    0.0007   -0.0006   -0.0081   -0.0048   -0.0137
            Y    -0.0005   -0.0057    0.0127    0.0037   -0.0096    0.0073
            Z    -0.0040   -0.0308    0.0009    0.0283   -0.0134   -0.0097
 AT.  60 O  X     0.0127    0.0007   -0.0006   -0.0081   -0.0048   -0.0137
            Y     0.0005   -0.0057    0.0127    0.0037   -0.0096    0.0073
            Z    -0.0040    0.0308   -0.0009   -0.0283    0.0134    0.0097
 AT.  61 O  X    -0.0174    0.0019    0.0019   -0.0070   -0.0016   -0.0141
            Y     0.0003   -0.0066    0.0192   -0.0132   -0.0151   -0.0014
            Z     0.0011   -0.0244   -0.0121   -0.0109   -0.0078   -0.0022
 AT.  62 O  X     0.0174    0.0019    0.0019   -0.0070   -0.0016   -0.0141
            Y    -0.0003   -0.0066    0.0192   -0.0132   -0.0151   -0.0014
            Z     0.0011    0.0244    0.0121    0.0109    0.0078    0.0022
 AT.  63 O  X     0.0174   -0.0019    0.0019   -0.0070   -0.0016   -0.0141
            Y     0.0003   -0.0066   -0.0192    0.0132    0.0151    0.0014
            Z     0.0011   -0.0244    0.0121    0.0109    0.0078    0.0022
 AT.  64 O  X    -0.0174   -0.0019    0.0019   -0.0070   -0.0016   -0.0141
            Y    -0.0003   -0.0066   -0.0192    0.0132    0.0151    0.0014
            Z     0.0011    0.0244   -0.0121   -0.0109   -0.0078   -0.0022
 AT.  65 O  X     0.0174    0.0019   -0.0019   -0.0070    0.0016   -0.0141
            Y    -0.0003   -0.0066   -0.0192   -0.0132    0.0151   -0.0014
            Z    -0.0011   -0.0244    0.0121   -0.0109    0.0078   -0.0022
 AT.  66 O  X    -0.0174    0.0019   -0.0019   -0.0070    0.0016   -0.0141
            Y     0.0003   -0.0066   -0.0192   -0.0132    0.0151   -0.0014
            Z    -0.0011    0.0244   -0.0121    0.0109   -0.0078    0.0022
 AT.  67 O  X    -0.0174   -0.0019   -0.0019   -0.0070    0.0016   -0.0141
            Y    -0.0003   -0.0066    0.0192    0.0132   -0.0151    0.0014
            Z    -0.0011   -0.0244   -0.0121    0.0109   -0.0078    0.0022
 AT.  68 O  X     0.0174   -0.0019   -0.0019   -0.0070    0.0016   -0.0141
            Y     0.0003   -0.0066    0.0192    0.0132   -0.0151    0.0014
            Z    -0.0011    0.0244    0.0121   -0.0109    0.0078   -0.0022
 AT.  69 O  X    -0.0056   -0.0017   -0.0029   -0.0068   -0.0004   -0.0185
            Y     0.0002   -0.0034    0.0026    0.0050   -0.0031   -0.0127
            Z     0.0003   -0.0262   -0.0089   -0.0127   -0.0038   -0.0002
 AT.  70 O  X     0.0056   -0.0017   -0.0029   -0.0068   -0.0004   -0.0185
            Y    -0.0002   -0.0034    0.0026    0.0050   -0.0031   -0.0127
            Z     0.0003    0.0262    0.0089    0.0127    0.0038    0.0002
 AT.  71 O  X     0.0056    0.0017   -0.0029   -0.0068   -0.0004   -0.0185
            Y     0.0002   -0.0034   -0.0026   -0.0050    0.0031    0.0127
            Z     0.0003   -0.0262    0.0089    0.0127    0.0038    0.0002
 AT.  72 O  X    -0.0056    0.0017   -0.0029   -0.0068   -0.0004   -0.0185
            Y    -0.0002   -0.0034   -0.0026   -0.0050    0.0031    0.0127
            Z     0.0003    0.0262   -0.0089   -0.0127   -0.0038   -0.0002
 AT.  73 O  X     0.0056   -0.0017    0.0029   -0.0068    0.0004   -0.0185
            Y    -0.0002   -0.0034   -0.0026    0.0050    0.0031   -0.0127
            Z    -0.0003   -0.0262    0.0089   -0.0127    0.0038   -0.0002
 AT.  74 O  X    -0.0056   -0.0017    0.0029   -0.0068    0.0004   -0.0185
            Y     0.0002   -0.0034   -0.0026    0.0050    0.0031   -0.0127
            Z    -0.0003    0.0262   -0.0089    0.0127   -0.0038    0.0002
 AT.  75 O  X    -0.0056    0.0017    0.0029   -0.0068    0.0004   -0.0185
            Y    -0.0002   -0.0034    0.0026   -0.0050   -0.0031    0.0127
            Z    -0.0003   -0.0262   -0.0089    0.0127   -0.0038    0.0002
 AT.  76 O  X     0.0056    0.0017    0.0029   -0.0068    0.0004   -0.0185
            Y     0.0002   -0.0034    0.0026   -0.0050   -0.0031    0.0127
            Z    -0.0003    0.0262    0.0089   -0.0127    0.0038   -0.0002
 AT.  77 O  X    -0.0122   -0.0003    0.0004   -0.0074    0.0013   -0.0152
            Y     0.0001   -0.0062    0.0133   -0.0040   -0.0056   -0.0077
            Z     0.0020   -0.0322   -0.0078   -0.0175   -0.0082    0.0033
 AT.  78 O  X     0.0122   -0.0003    0.0004   -0.0074    0.0013   -0.0152
            Y    -0.0001   -0.0062    0.0133   -0.0040   -0.0056   -0.0077
            Z     0.0020    0.0322    0.0078    0.0175    0.0082   -0.0033
 AT.  79 O  X     0.0122    0.0003    0.0004   -0.0074    0.0013   -0.0152
            Y     0.0001   -0.0062   -0.0133    0.0040    0.0056    0.0077
            Z     0.0020   -0.0322    0.0078    0.0175    0.0082   -0.0033
 AT.  80 O  X    -0.0122    0.0003    0.0004   -0.0074    0.0013   -0.0152
            Y    -0.0001   -0.0062   -0.0133    0.0040    0.0056    0.0077
            Z     0.0020    0.0322   -0.0078   -0.0175   -0.0082    0.0033
 AT.  81 O  X     0.0122   -0.0003   -0.0004   -0.0074   -0.0013   -0.0152
            Y    -0.0001   -0.0062   -0.0133   -0.0040    0.0056   -0.0077
            Z    -0.0020   -0.0322    0.0078   -0.0175    0.0082    0.0033
 AT.  82 O  X    -0.0122   -0.0003   -0.0004   -0.0074   -0.0013   -0.0152
            Y     0.0001   -0.0062   -0.0133   -0.0040    0.0056   -0.0077
            Z    -0.0020    0.0322   -0.0078    0.0175   -0.0082   -0.0033
 AT.  83 O  X    -0.0122    0.0003   -0.0004   -0.0074   -0.0013   -0.0152
            Y    -0.0001   -0.0062    0.0133    0.0040   -0.0056    0.0077
            Z    -0.0020   -0.0322   -0.0078    0.0175   -0.0082   -0.0033
 AT.  84 O  X     0.0122    0.0003   -0.0004   -0.0074   -0.0013   -0.0152
            Y     0.0001   -0.0062    0.0133    0.0040   -0.0056    0.0077
            Z    -0.0020    0.0322    0.0078   -0.0175    0.0082    0.0033
 AT.  85 O  X    -0.0288   -0.0017   -0.0015   -0.0042    0.0040   -0.0002
            Y    -0.0003   -0.0031    0.0180   -0.0015   -0.0132   -0.0037
            Z    -0.0009   -0.0148   -0.0144   -0.0079   -0.0223    0.0183
 AT.  86 O  X     0.0288   -0.0017   -0.0015   -0.0042    0.0040   -0.0002
            Y     0.0003   -0.0031    0.0180   -0.0015   -0.0132   -0.0037
            Z    -0.0009    0.0148    0.0144    0.0079    0.0223   -0.0183
 AT.  87 O  X     0.0288    0.0017   -0.0015   -0.0042    0.0040   -0.0002
            Y    -0.0003   -0.0031   -0.0180    0.0015    0.0132    0.0037
            Z    -0.0009   -0.0148    0.0144    0.0079    0.0223   -0.0183
 AT.  88 O  X    -0.0288    0.0017   -0.0015   -0.0042    0.0040   -0.0002
            Y     0.0003   -0.0031   -0.0180    0.0015    0.0132    0.0037
            Z    -0.0009    0.0148   -0.0144   -0.0079   -0.0223    0.0183
 AT.  89 O  X     0.0288   -0.0017    0.0015   -0.0042   -0.0040   -0.0002
            Y     0.0003   -0.0031   -0.0180   -0.0015    0.0132   -0.0037
            Z     0.0009   -0.0148    0.0144   -0.0079    0.0223    0.0183
 AT.  90 O  X    -0.0288   -0.0017    0.0015   -0.0042   -0.0040   -0.0002
            Y    -0.0003   -0.0031   -0.0180   -0.0015    0.0132   -0.0037
            Z     0.0009    0.0148   -0.0144    0.0079   -0.0223   -0.0183
 AT.  91 O  X    -0.0288    0.0017    0.0015   -0.0042   -0.0040   -0.0002
            Y     0.0003   -0.0031    0.0180    0.0015   -0.0132    0.0037
            Z     0.0009   -0.0148   -0.0144    0.0079   -0.0223   -0.0183
 AT.  92 O  X     0.0288    0.0017    0.0015   -0.0042   -0.0040   -0.0002
            Y    -0.0003   -0.0031    0.0180    0.0015   -0.0132    0.0037
            Z     0.0009    0.0148    0.0144   -0.0079    0.0223    0.0183
 AT.  93 O  X    -0.0344    0.0038   -0.0085    0.0107    0.0029    0.0062
            Y    -0.0020    0.0053    0.0189    0.0046   -0.0148    0.0050
            Z     0.0001   -0.0255   -0.0179   -0.0174   -0.0207    0.0066
 AT.  94 O  X     0.0344    0.0038   -0.0085    0.0107    0.0029    0.0062
            Y     0.0020    0.0053    0.0189    0.0046   -0.0148    0.0050
            Z     0.0001    0.0255    0.0179    0.0174    0.0207   -0.0066
 AT.  95 O  X     0.0344   -0.0038   -0.0085    0.0107    0.0029    0.0062
            Y    -0.0020    0.0053   -0.0189   -0.0046    0.0148   -0.0050
            Z     0.0001   -0.0255    0.0179    0.0174    0.0207   -0.0066
 AT.  96 O  X    -0.0344   -0.0038   -0.0085    0.0107    0.0029    0.0062
            Y     0.0020    0.0053   -0.0189   -0.0046    0.0148   -0.0050
            Z     0.0001    0.0255   -0.0179   -0.0174   -0.0207    0.0066
 AT.  97 O  X     0.0344    0.0038    0.0085    0.0107   -0.0029    0.0062
            Y     0.0020    0.0053   -0.0189    0.0046    0.0148    0.0050
            Z    -0.0001   -0.0255    0.0179   -0.0174    0.0207    0.0066
 AT.  98 O  X    -0.0344    0.0038    0.0085    0.0107   -0.0029    0.0062
            Y    -0.0020    0.0053   -0.0189    0.0046    0.0148    0.0050
            Z    -0.0001    0.0255   -0.0179    0.0174   -0.0207   -0.0066
 AT.  99 O  X    -0.0344   -0.0038    0.0085    0.0107   -0.0029    0.0062
            Y     0.0020    0.0053    0.0189   -0.0046   -0.0148   -0.0050
            Z    -0.0001   -0.0255   -0.0179    0.0174   -0.0207   -0.0066
 AT. 100 O  X     0.0344   -0.0038    0.0085    0.0107   -0.0029    0.0062
            Y    -0.0020    0.0053    0.0189   -0.0046   -0.0148   -0.0050
            Z    -0.0001    0.0255    0.0179   -0.0174    0.0207    0.0066
 AT. 101 O  X    -0.0367   -0.0040   -0.0009    0.0056   -0.0002    0.0130
            Y    -0.0045    0.0133    0.0183    0.0122   -0.0118    0.0114
            Z    -0.0017   -0.0086   -0.0170   -0.0071   -0.0234    0.0210
 AT. 102 O  X     0.0367   -0.0040   -0.0009    0.0056   -0.0002    0.0130
            Y     0.0045    0.0133    0.0183    0.0122   -0.0118    0.0114
            Z    -0.0017    0.0086    0.0170    0.0071    0.0234   -0.0210
 AT. 103 O  X     0.0367    0.0040   -0.0009    0.0056   -0.0002    0.0130
            Y    -0.0045    0.0133   -0.0183   -0.0122    0.0118   -0.0114
            Z    -0.0017   -0.0086    0.0170    0.0071    0.0234   -0.0210
 AT. 104 O  X    -0.0367    0.0040   -0.0009    0.0056   -0.0002    0.0130
            Y     0.0045    0.0133   -0.0183   -0.0122    0.0118   -0.0114
            Z    -0.0017    0.0086   -0.0170   -0.0071   -0.0234    0.0210
 AT. 105 O  X     0.0367   -0.0040    0.0009    0.0056    0.0002    0.0130
            Y     0.0045    0.0133   -0.0183    0.0122    0.0118    0.0114
            Z     0.0017   -0.0086    0.0170   -0.0071    0.0234    0.0210
 AT. 106 O  X    -0.0367   -0.0040    0.0009    0.0056    0.0002    0.0130
            Y    -0.0045    0.0133   -0.0183    0.0122    0.0118    0.0114
            Z     0.0017    0.0086   -0.0170    0.0071   -0.0234   -0.0210
 AT. 107 O  X    -0.0367    0.0040    0.0009    0.0056    0.0002    0.0130
            Y     0.0045    0.0133    0.0183   -0.0122   -0.0118   -0.0114
            Z     0.0017   -0.0086   -0.0170    0.0071   -0.0234   -0.0210
 AT. 108 O  X     0.0367    0.0040    0.0009    0.0056    0.0002    0.0130
            Y    -0.0045    0.0133    0.0183   -0.0122   -0.0118   -0.0114
            Z     0.0017    0.0086    0.0170   -0.0071    0.0234    0.0210
 AT. 109 O  X    -0.0336    0.0004   -0.0036    0.0028    0.0016    0.0067
            Y    -0.0026    0.0071    0.0141    0.0093   -0.0142    0.0030
            Z    -0.0030   -0.0198   -0.0110   -0.0046   -0.0269    0.0231
 AT. 110 O  X     0.0336    0.0004   -0.0036    0.0028    0.0016    0.0067
            Y     0.0026    0.0071    0.0141    0.0093   -0.0142    0.0030
            Z    -0.0030    0.0198    0.0110    0.0046    0.0269   -0.0231
 AT. 111 O  X     0.0336   -0.0004   -0.0036    0.0028    0.0016    0.0067
            Y    -0.0026    0.0071   -0.0141   -0.0093    0.0142   -0.0030
            Z    -0.0030   -0.0198    0.0110    0.0046    0.0269   -0.0231
 AT. 112 O  X    -0.0336   -0.0004   -0.0036    0.0028    0.0016    0.0067
            Y     0.0026    0.0071   -0.0141   -0.0093    0.0142   -0.0030
            Z    -0.0030    0.0198   -0.0110   -0.0046   -0.0269    0.0231
 AT. 113 O  X     0.0336    0.0004    0.0036    0.0028   -0.0016    0.0067
            Y     0.0026    0.0071   -0.0141    0.0093    0.0142    0.0030
            Z     0.0030   -0.0198    0.0110   -0.0046    0.0269    0.0231
 AT. 114 O  X    -0.0336    0.0004    0.0036    0.0028   -0.0016    0.0067
            Y    -0.0026    0.0071   -0.0141    0.0093    0.0142    0.0030
            Z     0.0030    0.0198   -0.0110    0.0046   -0.0269   -0.0231
 AT. 115 O  X    -0.0336   -0.0004    0.0036    0.0028   -0.0016    0.0067
            Y     0.0026    0.0071    0.0141   -0.0093   -0.0142   -0.0030
            Z     0.0030   -0.0198   -0.0110    0.0046   -0.0269   -0.0231
 AT. 116 O  X     0.0336   -0.0004    0.0036    0.0028   -0.0016    0.0067
            Y    -0.0026    0.0071    0.0141   -0.0093   -0.0142   -0.0030
            Z     0.0030    0.0198    0.0110   -0.0046    0.0269    0.0231
 AT. 117 O  X    -0.0438   -0.0090    0.0129    0.0254   -0.0045    0.0249
            Y    -0.0005    0.0141    0.0041   -0.0036   -0.0050    0.0036
            Z     0.0049    0.0093   -0.0397   -0.0198   -0.0116    0.0023
 AT. 118 O  X     0.0438   -0.0090    0.0129    0.0254   -0.0045    0.0249
            Y     0.0005    0.0141    0.0041   -0.0036   -0.0050    0.0036
            Z     0.0049   -0.0093    0.0397    0.0198    0.0116   -0.0023
 AT. 119 O  X     0.0438    0.0090    0.0129    0.0254   -0.0045    0.0249
            Y    -0.0005    0.0141   -0.0041    0.0036    0.0050   -0.0036
            Z     0.0049    0.0093    0.0397    0.0198    0.0116   -0.0023
 AT. 120 O  X    -0.0438    0.0090    0.0129    0.0254   -0.0045    0.0249
            Y     0.0005    0.0141   -0.0041    0.0036    0.0050   -0.0036
            Z     0.0049   -0.0093   -0.0397   -0.0198   -0.0116    0.0023
 AT. 121 O  X     0.0438   -0.0090   -0.0129    0.0254    0.0045    0.0249
            Y     0.0005    0.0141   -0.0041   -0.0036    0.0050    0.0036
            Z    -0.0049    0.0093    0.0397   -0.0198    0.0116    0.0023
 AT. 122 O  X    -0.0438   -0.0090   -0.0129    0.0254    0.0045    0.0249
            Y    -0.0005    0.0141   -0.0041   -0.0036    0.0050    0.0036
            Z    -0.0049   -0.0093   -0.0397    0.0198   -0.0116   -0.0023
 AT. 123 O  X    -0.0438    0.0090   -0.0129    0.0254    0.0045    0.0249
            Y     0.0005    0.0141    0.0041    0.0036   -0.0050   -0.0036
            Z    -0.0049    0.0093   -0.0397    0.0198   -0.0116   -0.0023
 AT. 124 O  X     0.0438    0.0090   -0.0129    0.0254    0.0045    0.0249
            Y    -0.0005    0.0141    0.0041    0.0036   -0.0050   -0.0036
            Z    -0.0049   -0.0093    0.0397   -0.0198    0.0116    0.0023

 FREQ(CM**-1)     93.81     96.15     97.14    101.39    106.01    106.94

 AT.   1 SI X    -0.0007   -0.0143    0.0048    0.0053    0.0058   -0.0073
            Y     0.0042    0.0036   -0.0193    0.0092   -0.0117    0.0013
            Z     0.0168   -0.0017    0.0056    0.0000    0.0017   -0.0062
 AT.   2 SI X     0.0007   -0.0143    0.0048   -0.0053   -0.0058    0.0073
            Y    -0.0042    0.0036   -0.0193   -0.0092    0.0117   -0.0013
            Z     0.0168    0.0017   -0.0056    0.0000    0.0017   -0.0062
 AT.   3 SI X    -0.0007    0.0143   -0.0048   -0.0053   -0.0058    0.0073
            Y    -0.0042    0.0036   -0.0193    0.0092   -0.0117    0.0013
            Z    -0.0168   -0.0017    0.0056    0.0000    0.0017   -0.0062
 AT.   4 SI X     0.0007    0.0143   -0.0048    0.0053    0.0058   -0.0073
            Y     0.0042    0.0036   -0.0193   -0.0092    0.0117   -0.0013
            Z    -0.0168    0.0017   -0.0056    0.0000    0.0017   -0.0062
 AT.   5 SI X    -0.0007    0.0143    0.0048   -0.0053    0.0058    0.0073
            Y     0.0042   -0.0036   -0.0193   -0.0092   -0.0117   -0.0013
            Z     0.0168    0.0017    0.0056    0.0000    0.0017    0.0062
 AT.   6 SI X     0.0007    0.0143    0.0048    0.0053   -0.0058   -0.0073
            Y    -0.0042   -0.0036   -0.0193    0.0092    0.0117    0.0013
            Z     0.0168   -0.0017   -0.0056    0.0000    0.0017    0.0062
 AT.   7 SI X    -0.0007   -0.0143   -0.0048    0.0053   -0.0058   -0.0073
            Y    -0.0042   -0.0036   -0.0193   -0.0092   -0.0117   -0.0013
            Z    -0.0168    0.0017    0.0056    0.0000    0.0017    0.0062
 AT.   8 SI X     0.0007   -0.0143   -0.0048   -0.0053    0.0058    0.0073
            Y     0.0042   -0.0036   -0.0193    0.0092    0.0117    0.0013
            Z    -0.0168   -0.0017   -0.0056    0.0000    0.0017    0.0062
 AT.   9 SI X    -0.0003   -0.0244    0.0007    0.0051   -0.0020   -0.0045
            Y     0.0001    0.0030    0.0160    0.0002    0.0103    0.0084
            Z     0.0051   -0.0069    0.0021   -0.0253   -0.0063   -0.0083
 AT.  10 SI X     0.0003   -0.0244    0.0007   -0.0051    0.0020    0.0045
            Y    -0.0001    0.0030    0.0160   -0.0002   -0.0103   -0.0084
            Z     0.0051    0.0069   -0.0021   -0.0253   -0.0063   -0.0083
 AT.  11 SI X    -0.0003    0.0244   -0.0007   -0.0051    0.0020    0.0045
            Y    -0.0001    0.0030    0.0160    0.0002    0.0103    0.0084
            Z    -0.0051   -0.0069    0.0021   -0.0253   -0.0063   -0.0083
 AT.  12 SI X     0.0003    0.0244   -0.0007    0.0051   -0.0020   -0.0045
            Y     0.0001    0.0030    0.0160   -0.0002   -0.0103   -0.0084
            Z    -0.0051    0.0069   -0.0021   -0.0253   -0.0063   -0.0083
 AT.  13 SI X    -0.0003    0.0244    0.0007   -0.0051   -0.0020    0.0045
            Y     0.0001   -0.0030    0.0160   -0.0002    0.0103   -0.0084
            Z     0.0051    0.0069    0.0021    0.0253   -0.0063    0.0083
 AT.  14 SI X     0.0003    0.0244    0.0007    0.0051    0.0020   -0.0045
            Y    -0.0001   -0.0030    0.0160    0.0002   -0.0103    0.0084
            Z     0.0051   -0.0069   -0.0021    0.0253   -0.0063    0.0083
 AT.  15 SI X    -0.0003   -0.0244   -0.0007    0.0051    0.0020   -0.0045
            Y    -0.0001   -0.0030    0.0160   -0.0002    0.0103   -0.0084
            Z    -0.0051    0.0069    0.0021    0.0253   -0.0063    0.0083
 AT.  16 SI X     0.0003   -0.0244   -0.0007   -0.0051   -0.0020    0.0045
            Y     0.0001   -0.0030    0.0160    0.0002   -0.0103    0.0084
            Z    -0.0051   -0.0069   -0.0021    0.0253   -0.0063    0.0083
 AT.  17 SI X     0.0000    0.0000    0.0000   -0.0018    0.0148    0.0093
            Y    -0.0028    0.0065    0.0236    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000   -0.0254   -0.0172   -0.0145
 AT.  18 SI X     0.0000    0.0000    0.0000    0.0018   -0.0148   -0.0093
            Y     0.0028    0.0065    0.0236    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000   -0.0254   -0.0172   -0.0145
 AT.  19 SI X     0.0000    0.0000    0.0000    0.0018    0.0148   -0.0093
            Y    -0.0028   -0.0065    0.0236    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000    0.0254   -0.0172    0.0145
 AT.  20 SI X     0.0000    0.0000    0.0000   -0.0018   -0.0148    0.0093
            Y     0.0028   -0.0065    0.0236    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000    0.0254   -0.0172    0.0145
 AT.  21 CA X    -0.0028   -0.0179    0.0012    0.0001    0.0014   -0.0080
            Y    -0.0005   -0.0011   -0.0227   -0.0040   -0.0156   -0.0074
            Z     0.0147   -0.0010    0.0066   -0.0109    0.0015   -0.0070
 AT.  22 CA X     0.0028   -0.0179    0.0012   -0.0001   -0.0014    0.0080
            Y     0.0005   -0.0011   -0.0227    0.0040    0.0156    0.0074
            Z     0.0147    0.0010   -0.0066   -0.0109    0.0015   -0.0070
 AT.  23 CA X    -0.0028    0.0179   -0.0012   -0.0001   -0.0014    0.0080
            Y     0.0005   -0.0011   -0.0227   -0.0040   -0.0156   -0.0074
            Z    -0.0147   -0.0010    0.0066   -0.0109    0.0015   -0.0070
 AT.  24 CA X     0.0028    0.0179   -0.0012    0.0001    0.0014   -0.0080
            Y    -0.0005   -0.0011   -0.0227    0.0040    0.0156    0.0074
            Z    -0.0147    0.0010   -0.0066   -0.0109    0.0015   -0.0070
 AT.  25 CA X    -0.0028    0.0179    0.0012   -0.0001    0.0014    0.0080
            Y    -0.0005    0.0011   -0.0227    0.0040   -0.0156    0.0074
            Z     0.0147    0.0010    0.0066    0.0109    0.0015    0.0070
 AT.  26 CA X     0.0028    0.0179    0.0012    0.0001   -0.0014   -0.0080
            Y     0.0005    0.0011   -0.0227   -0.0040    0.0156   -0.0074
            Z     0.0147   -0.0010   -0.0066    0.0109    0.0015    0.0070
 AT.  27 CA X    -0.0028   -0.0179   -0.0012    0.0001   -0.0014   -0.0080
            Y     0.0005    0.0011   -0.0227    0.0040   -0.0156    0.0074
            Z    -0.0147    0.0010    0.0066    0.0109    0.0015    0.0070
 AT.  28 CA X     0.0028   -0.0179   -0.0012   -0.0001    0.0014    0.0080
            Y    -0.0005    0.0011   -0.0227   -0.0040    0.0156   -0.0074
            Z    -0.0147   -0.0010   -0.0066    0.0109    0.0015    0.0070
 AT.  29 CA X    -0.0024    0.0000    0.0064    0.0000    0.0055    0.0000
            Y    -0.0205    0.0000   -0.0346    0.0000   -0.0316    0.0000
            Z     0.0340    0.0000    0.0116    0.0000    0.0172    0.0000
 AT.  30 CA X     0.0024    0.0000    0.0064    0.0000   -0.0055    0.0000
            Y     0.0205    0.0000   -0.0346    0.0000    0.0316    0.0000
            Z     0.0340    0.0000   -0.0116    0.0000    0.0172    0.0000
 AT.  31 CA X    -0.0024    0.0000   -0.0064    0.0000   -0.0055    0.0000
            Y     0.0205    0.0000   -0.0346    0.0000   -0.0316    0.0000
            Z    -0.0340    0.0000    0.0116    0.0000    0.0172    0.0000
 AT.  32 CA X     0.0024    0.0000   -0.0064    0.0000    0.0055    0.0000
            Y    -0.0205    0.0000   -0.0346    0.0000    0.0316    0.0000
            Z    -0.0340    0.0000   -0.0116    0.0000    0.0172    0.0000
 AT.  33 CA X     0.0027   -0.0237    0.0024    0.0044    0.0056   -0.0121
            Y     0.0280    0.0039    0.0016    0.0117    0.0177   -0.0215
            Z     0.0301   -0.0018    0.0056   -0.0113    0.0154   -0.0271
 AT.  34 CA X    -0.0027   -0.0237    0.0024   -0.0044   -0.0056    0.0121
            Y    -0.0280    0.0039    0.0016   -0.0117   -0.0177    0.0215
            Z     0.0301    0.0018   -0.0056   -0.0113    0.0154   -0.0271
 AT.  35 CA X     0.0027    0.0237   -0.0024   -0.0044   -0.0056    0.0121
            Y    -0.0280    0.0039    0.0016    0.0117    0.0177   -0.0215
            Z    -0.0301   -0.0018    0.0056   -0.0113    0.0154   -0.0271
 AT.  36 CA X    -0.0027    0.0237   -0.0024    0.0044    0.0056   -0.0121
            Y     0.0280    0.0039    0.0016   -0.0117   -0.0177    0.0215
            Z    -0.0301    0.0018   -0.0056   -0.0113    0.0154   -0.0271
 AT.  37 CA X     0.0027    0.0237    0.0024   -0.0044    0.0056    0.0121
            Y     0.0280   -0.0039    0.0016   -0.0117    0.0177    0.0215
            Z     0.0301    0.0018    0.0056    0.0113    0.0154    0.0271
 AT.  38 CA X    -0.0027    0.0237    0.0024    0.0044   -0.0056   -0.0121
            Y    -0.0280   -0.0039    0.0016    0.0117   -0.0177   -0.0215
            Z     0.0301   -0.0018   -0.0056    0.0113    0.0154    0.0271
 AT.  39 CA X     0.0027   -0.0237   -0.0024    0.0044   -0.0056   -0.0121
            Y    -0.0280   -0.0039    0.0016   -0.0117    0.0177    0.0215
            Z    -0.0301    0.0018    0.0056    0.0113    0.0154    0.0271
 AT.  40 CA X    -0.0027   -0.0237   -0.0024   -0.0044    0.0056    0.0121
            Y     0.0280   -0.0039    0.0016    0.0117   -0.0177   -0.0215
            Z    -0.0301   -0.0018   -0.0056    0.0113    0.0154    0.0271
 AT.  41 CA X     0.0017   -0.0241    0.0001    0.0024   -0.0043   -0.0086
            Y     0.0063    0.0035    0.0152   -0.0025    0.0150    0.0007
            Z     0.0084   -0.0065    0.0020    0.0244   -0.0043   -0.0131
 AT.  42 CA X    -0.0017   -0.0241    0.0001   -0.0024    0.0043    0.0086
            Y    -0.0063    0.0035    0.0152    0.0025   -0.0150   -0.0007
            Z     0.0084    0.0065   -0.0020    0.0244   -0.0043   -0.0131
 AT.  43 CA X     0.0017    0.0241   -0.0001   -0.0024    0.0043    0.0086
            Y    -0.0063    0.0035    0.0152   -0.0025    0.0150    0.0007
            Z    -0.0084   -0.0065    0.0020    0.0244   -0.0043   -0.0131
 AT.  44 CA X    -0.0017    0.0241   -0.0001    0.0024   -0.0043   -0.0086
            Y     0.0063    0.0035    0.0152    0.0025   -0.0150   -0.0007
            Z    -0.0084    0.0065   -0.0020    0.0244   -0.0043   -0.0131
 AT.  45 CA X     0.0017    0.0241    0.0001   -0.0024   -0.0043    0.0086
            Y     0.0063   -0.0035    0.0152    0.0025    0.0150   -0.0007
            Z     0.0084    0.0065    0.0020   -0.0244   -0.0043    0.0131
 AT.  46 CA X    -0.0017    0.0241    0.0001    0.0024    0.0043   -0.0086
            Y    -0.0063   -0.0035    0.0152   -0.0025   -0.0150    0.0007
            Z     0.0084   -0.0065   -0.0020   -0.0244   -0.0043    0.0131
 AT.  47 CA X     0.0017   -0.0241   -0.0001    0.0024    0.0043   -0.0086
            Y    -0.0063   -0.0035    0.0152    0.0025    0.0150   -0.0007
            Z    -0.0084    0.0065    0.0020   -0.0244   -0.0043    0.0131
 AT.  48 CA X    -0.0017   -0.0241   -0.0001   -0.0024   -0.0043    0.0086
            Y     0.0063   -0.0035    0.0152   -0.0025   -0.0150    0.0007
            Z    -0.0084   -0.0065   -0.0020   -0.0244   -0.0043    0.0131
 AT.  49 CA X     0.0000    0.0000    0.0000   -0.0158   -0.0019    0.0198
            Y    -0.0050   -0.0092    0.0249    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000   -0.0121    0.0014   -0.0138
 AT.  50 CA X     0.0000    0.0000    0.0000    0.0158    0.0019   -0.0198
            Y     0.0050   -0.0092    0.0249    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000   -0.0121    0.0014   -0.0138
 AT.  51 CA X     0.0000    0.0000    0.0000    0.0158   -0.0019   -0.0198
            Y    -0.0050    0.0092    0.0249    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000    0.0121    0.0014    0.0138
 AT.  52 CA X     0.0000    0.0000    0.0000   -0.0158    0.0019    0.0198
            Y     0.0050    0.0092    0.0249    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000    0.0121    0.0014    0.0138
 AT.  53 O  X     0.0014   -0.0128    0.0054    0.0081    0.0066   -0.0004
            Y     0.0038    0.0031   -0.0193    0.0077   -0.0114   -0.0027
            Z     0.0305    0.0031    0.0129   -0.0058    0.0144   -0.0119
 AT.  54 O  X    -0.0014   -0.0128    0.0054   -0.0081   -0.0066    0.0004
            Y    -0.0038    0.0031   -0.0193   -0.0077    0.0114    0.0027
            Z     0.0305   -0.0031   -0.0129   -0.0058    0.0144   -0.0119
 AT.  55 O  X     0.0014    0.0128   -0.0054   -0.0081   -0.0066    0.0004
            Y    -0.0038    0.0031   -0.0193    0.0077   -0.0114   -0.0027
            Z    -0.0305    0.0031    0.0129   -0.0058    0.0144   -0.0119
 AT.  56 O  X    -0.0014    0.0128   -0.0054    0.0081    0.0066   -0.0004
            Y     0.0038    0.0031   -0.0193   -0.0077    0.0114    0.0027
            Z    -0.0305   -0.0031   -0.0129   -0.0058    0.0144   -0.0119
 AT.  57 O  X     0.0014    0.0128    0.0054   -0.0081    0.0066    0.0004
            Y     0.0038   -0.0031   -0.0193   -0.0077   -0.0114    0.0027
            Z     0.0305   -0.0031    0.0129    0.0058    0.0144    0.0119
 AT.  58 O  X    -0.0014    0.0128    0.0054    0.0081   -0.0066   -0.0004
            Y    -0.0038   -0.0031   -0.0193    0.0077    0.0114   -0.0027
            Z     0.0305    0.0031   -0.0129    0.0058    0.0144    0.0119
 AT.  59 O  X     0.0014   -0.0128   -0.0054    0.0081   -0.0066   -0.0004
            Y    -0.0038   -0.0031   -0.0193   -0.0077   -0.0114    0.0027
            Z    -0.0305   -0.0031    0.0129    0.0058    0.0144    0.0119
 AT.  60 O  X    -0.0014   -0.0128   -0.0054   -0.0081    0.0066    0.0004
            Y     0.0038   -0.0031   -0.0193    0.0077    0.0114   -0.0027
            Z    -0.0305    0.0031   -0.0129    0.0058    0.0144    0.0119
 AT.  61 O  X     0.0007   -0.0214    0.0076    0.0133    0.0066   -0.0153
            Y     0.0157    0.0062   -0.0102    0.0057    0.0010   -0.0083
            Z     0.0096   -0.0069    0.0025    0.0068   -0.0052   -0.0049
 AT.  62 O  X    -0.0007   -0.0214    0.0076   -0.0133   -0.0066    0.0153
            Y    -0.0157    0.0062   -0.0102   -0.0057   -0.0010    0.0083
            Z     0.0096    0.0069   -0.0025    0.0068   -0.0052   -0.0049
 AT.  63 O  X     0.0007    0.0214   -0.0076   -0.0133   -0.0066    0.0153
            Y    -0.0157    0.0062   -0.0102    0.0057    0.0010   -0.0083
            Z    -0.0096   -0.0069    0.0025    0.0068   -0.0052   -0.0049
 AT.  64 O  X    -0.0007    0.0214   -0.0076    0.0133    0.0066   -0.0153
            Y     0.0157    0.0062   -0.0102   -0.0057   -0.0010    0.0083
            Z    -0.0096    0.0069   -0.0025    0.0068   -0.0052   -0.0049
 AT.  65 O  X     0.0007    0.0214    0.0076   -0.0133    0.0066    0.0153
            Y     0.0157   -0.0062   -0.0102   -0.0057    0.0010    0.0083
            Z     0.0096    0.0069    0.0025   -0.0068   -0.0052    0.0049
 AT.  66 O  X    -0.0007    0.0214    0.0076    0.0133   -0.0066   -0.0153
            Y    -0.0157   -0.0062   -0.0102    0.0057   -0.0010   -0.0083
            Z     0.0096   -0.0069   -0.0025   -0.0068   -0.0052    0.0049
 AT.  67 O  X     0.0007   -0.0214   -0.0076    0.0133   -0.0066   -0.0153
            Y    -0.0157   -0.0062   -0.0102   -0.0057    0.0010    0.0083
            Z    -0.0096    0.0069    0.0025   -0.0068   -0.0052    0.0049
 AT.  68 O  X    -0.0007   -0.0214   -0.0076   -0.0133    0.0066    0.0153
            Y     0.0157   -0.0062   -0.0102    0.0057   -0.0010   -0.0083
            Z    -0.0096   -0.0069   -0.0025   -0.0068   -0.0052    0.0049
 AT.  69 O  X    -0.0044   -0.0070    0.0012   -0.0026    0.0027   -0.0068
            Y    -0.0075    0.0002   -0.0257    0.0117   -0.0217    0.0050
            Z     0.0120   -0.0068    0.0046    0.0056   -0.0020   -0.0035
 AT.  70 O  X     0.0044   -0.0070    0.0012    0.0026   -0.0027    0.0068
            Y     0.0075    0.0002   -0.0257   -0.0117    0.0217   -0.0050
            Z     0.0120    0.0068   -0.0046    0.0056   -0.0020   -0.0035
 AT.  71 O  X    -0.0044    0.0070   -0.0012    0.0026   -0.0027    0.0068
            Y     0.0075    0.0002   -0.0257    0.0117   -0.0217    0.0050
            Z    -0.0120   -0.0068    0.0046    0.0056   -0.0020   -0.0035
 AT.  72 O  X     0.0044    0.0070   -0.0012   -0.0026    0.0027   -0.0068
            Y    -0.0075    0.0002   -0.0257   -0.0117    0.0217   -0.0050
            Z    -0.0120    0.0068   -0.0046    0.0056   -0.0020   -0.0035
 AT.  73 O  X    -0.0044    0.0070    0.0012    0.0026    0.0027    0.0068
            Y    -0.0075   -0.0002   -0.0257   -0.0117   -0.0217   -0.0050
            Z     0.0120    0.0068    0.0046   -0.0056   -0.0020    0.0035
 AT.  74 O  X     0.0044    0.0070    0.0012   -0.0026   -0.0027   -0.0068
            Y     0.0075   -0.0002   -0.0257    0.0117    0.0217    0.0050
            Z     0.0120   -0.0068   -0.0046   -0.0056   -0.0020    0.0035
 AT.  75 O  X    -0.0044   -0.0070   -0.0012   -0.0026   -0.0027   -0.0068
            Y     0.0075   -0.0002   -0.0257   -0.0117   -0.0217   -0.0050
            Z    -0.0120    0.0068    0.0046   -0.0056   -0.0020    0.0035
 AT.  76 O  X     0.0044   -0.0070   -0.0012    0.0026    0.0027    0.0068
            Y    -0.0075   -0.0002   -0.0257    0.0117    0.0217    0.0050
            Z    -0.0120   -0.0068   -0.0046   -0.0056   -0.0020    0.0035
 AT.  77 O  X    -0.0007   -0.0142    0.0048    0.0056    0.0057   -0.0076
            Y     0.0057    0.0053   -0.0177    0.0112   -0.0106    0.0037
            Z     0.0159   -0.0008    0.0044   -0.0081    0.0030   -0.0055
 AT.  78 O  X     0.0007   -0.0142    0.0048   -0.0056   -0.0057    0.0076
            Y    -0.0057    0.0053   -0.0177   -0.0112    0.0106   -0.0037
            Z     0.0159    0.0008   -0.0044   -0.0081    0.0030   -0.0055
 AT.  79 O  X    -0.0007    0.0142   -0.0048   -0.0056   -0.0057    0.0076
            Y    -0.0057    0.0053   -0.0177    0.0112   -0.0106    0.0037
            Z    -0.0159   -0.0008    0.0044   -0.0081    0.0030   -0.0055
 AT.  80 O  X     0.0007    0.0142   -0.0048    0.0056    0.0057   -0.0076
            Y     0.0057    0.0053   -0.0177   -0.0112    0.0106   -0.0037
            Z    -0.0159    0.0008   -0.0044   -0.0081    0.0030   -0.0055
 AT.  81 O  X    -0.0007    0.0142    0.0048   -0.0056    0.0057    0.0076
            Y     0.0057   -0.0053   -0.0177   -0.0112   -0.0106   -0.0037
            Z     0.0159    0.0008    0.0044    0.0081    0.0030    0.0055
 AT.  82 O  X     0.0007    0.0142    0.0048    0.0056   -0.0057   -0.0076
            Y    -0.0057   -0.0053   -0.0177    0.0112    0.0106    0.0037
            Z     0.0159   -0.0008   -0.0044    0.0081    0.0030    0.0055
 AT.  83 O  X    -0.0007   -0.0142   -0.0048    0.0056   -0.0057   -0.0076
            Y    -0.0057   -0.0053   -0.0177   -0.0112   -0.0106   -0.0037
            Z    -0.0159    0.0008    0.0044    0.0081    0.0030    0.0055
 AT.  84 O  X     0.0007   -0.0142   -0.0048   -0.0056    0.0057    0.0076
            Y     0.0057   -0.0053   -0.0177    0.0112    0.0106    0.0037
            Z    -0.0159   -0.0008   -0.0044    0.0081    0.0030    0.0055
 AT.  85 O  X     0.0042   -0.0245   -0.0013    0.0109   -0.0008   -0.0110
            Y     0.0088   -0.0018    0.0074    0.0121    0.0041   -0.0042
            Z     0.0034   -0.0042    0.0052   -0.0281   -0.0015   -0.0057
 AT.  86 O  X    -0.0042   -0.0245   -0.0013   -0.0109    0.0008    0.0110
            Y    -0.0088   -0.0018    0.0074   -0.0121   -0.0041    0.0042
            Z     0.0034    0.0042   -0.0052   -0.0281   -0.0015   -0.0057
 AT.  87 O  X     0.0042    0.0245    0.0013   -0.0109    0.0008    0.0110
            Y    -0.0088   -0.0018    0.0074    0.0121    0.0041   -0.0042
            Z    -0.0034   -0.0042    0.0052   -0.0281   -0.0015   -0.0057
 AT.  88 O  X    -0.0042    0.0245    0.0013    0.0109   -0.0008   -0.0110
            Y     0.0088   -0.0018    0.0074   -0.0121   -0.0041    0.0042
            Z    -0.0034    0.0042   -0.0052   -0.0281   -0.0015   -0.0057
 AT.  89 O  X     0.0042    0.0245   -0.0013   -0.0109   -0.0008    0.0110
            Y     0.0088    0.0018    0.0074   -0.0121    0.0041    0.0042
            Z     0.0034    0.0042    0.0052    0.0281   -0.0015    0.0057
 AT.  90 O  X    -0.0042    0.0245   -0.0013    0.0109    0.0008   -0.0110
            Y    -0.0088    0.0018    0.0074    0.0121   -0.0041   -0.0042
            Z     0.0034   -0.0042   -0.0052    0.0281   -0.0015    0.0057
 AT.  91 O  X     0.0042   -0.0245    0.0013    0.0109    0.0008   -0.0110
            Y    -0.0088    0.0018    0.0074   -0.0121    0.0041    0.0042
            Z    -0.0034    0.0042    0.0052    0.0281   -0.0015    0.0057
 AT.  92 O  X    -0.0042   -0.0245    0.0013   -0.0109   -0.0008    0.0110
            Y     0.0088    0.0018    0.0074    0.0121   -0.0041   -0.0042
            Z    -0.0034   -0.0042   -0.0052    0.0281   -0.0015    0.0057
 AT.  93 O  X    -0.0065   -0.0297    0.0008    0.0058   -0.0114    0.0015
            Y     0.0024    0.0054    0.0161   -0.0021    0.0136    0.0069
            Z     0.0164   -0.0127   -0.0013   -0.0048   -0.0121   -0.0204
 AT.  94 O  X     0.0065   -0.0297    0.0008   -0.0058    0.0114   -0.0015
            Y    -0.0024    0.0054    0.0161    0.0021   -0.0136   -0.0069
            Z     0.0164    0.0127    0.0013   -0.0048   -0.0121   -0.0204
 AT.  95 O  X    -0.0065    0.0297   -0.0008   -0.0058    0.0114   -0.0015
            Y    -0.0024    0.0054    0.0161   -0.0021    0.0136    0.0069
            Z    -0.0164   -0.0127   -0.0013   -0.0048   -0.0121   -0.0204
 AT.  96 O  X     0.0065    0.0297   -0.0008    0.0058   -0.0114    0.0015
            Y     0.0024    0.0054    0.0161    0.0021   -0.0136   -0.0069
            Z    -0.0164    0.0127    0.0013   -0.0048   -0.0121   -0.0204
 AT.  97 O  X    -0.0065    0.0297    0.0008   -0.0058   -0.0114   -0.0015
            Y     0.0024   -0.0054    0.0161    0.0021    0.0136   -0.0069
            Z     0.0164    0.0127   -0.0013    0.0048   -0.0121    0.0204
 AT.  98 O  X     0.0065    0.0297    0.0008    0.0058    0.0114    0.0015
            Y    -0.0024   -0.0054    0.0161   -0.0021   -0.0136    0.0069
            Z     0.0164   -0.0127    0.0013    0.0048   -0.0121    0.0204
 AT.  99 O  X    -0.0065   -0.0297   -0.0008    0.0058    0.0114    0.0015
            Y    -0.0024   -0.0054    0.0161    0.0021    0.0136   -0.0069
            Z    -0.0164    0.0127   -0.0013    0.0048   -0.0121    0.0204
 AT. 100 O  X     0.0065   -0.0297   -0.0008   -0.0058   -0.0114   -0.0015
            Y     0.0024   -0.0054    0.0161   -0.0021   -0.0136    0.0069
            Z    -0.0164   -0.0127    0.0013    0.0048   -0.0121    0.0204
 AT. 101 O  X    -0.0001   -0.0127    0.0031    0.0027    0.0059   -0.0004
            Y    -0.0045    0.0088    0.0222   -0.0114    0.0196    0.0167
            Z    -0.0008   -0.0086    0.0039   -0.0318   -0.0028   -0.0059
 AT. 102 O  X     0.0001   -0.0127    0.0031   -0.0027   -0.0059    0.0004
            Y     0.0045    0.0088    0.0222    0.0114   -0.0196   -0.0167
            Z    -0.0008    0.0086   -0.0039   -0.0318   -0.0028   -0.0059
 AT. 103 O  X    -0.0001    0.0127   -0.0031   -0.0027   -0.0059    0.0004
            Y     0.0045    0.0088    0.0222   -0.0114    0.0196    0.0167
            Z     0.0008   -0.0086    0.0039   -0.0318   -0.0028   -0.0059
 AT. 104 O  X     0.0001    0.0127   -0.0031    0.0027    0.0059   -0.0004
            Y    -0.0045    0.0088    0.0222    0.0114   -0.0196   -0.0167
            Z     0.0008    0.0086   -0.0039   -0.0318   -0.0028   -0.0059
 AT. 105 O  X    -0.0001    0.0127    0.0031   -0.0027    0.0059    0.0004
            Y    -0.0045   -0.0088    0.0222    0.0114    0.0196   -0.0167
            Z    -0.0008    0.0086    0.0039    0.0318   -0.0028    0.0059
 AT. 106 O  X     0.0001    0.0127    0.0031    0.0027   -0.0059   -0.0004
            Y     0.0045   -0.0088    0.0222   -0.0114   -0.0196    0.0167
            Z    -0.0008   -0.0086   -0.0039    0.0318   -0.0028    0.0059
 AT. 107 O  X    -0.0001   -0.0127   -0.0031    0.0027   -0.0059   -0.0004
            Y     0.0045   -0.0088    0.0222    0.0114    0.0196   -0.0167
            Z     0.0008    0.0086    0.0039    0.0318   -0.0028    0.0059
 AT. 108 O  X     0.0001   -0.0127   -0.0031   -0.0027    0.0059    0.0004
            Y    -0.0045   -0.0088    0.0222   -0.0114   -0.0196    0.0167
            Z     0.0008   -0.0086   -0.0039    0.0318   -0.0028    0.0059
 AT. 109 O  X    -0.0005   -0.0245    0.0011    0.0060   -0.0013   -0.0049
            Y    -0.0013   -0.0023    0.0153    0.0003    0.0042    0.0094
            Z     0.0053    0.0003    0.0059   -0.0295    0.0037   -0.0017
 AT. 110 O  X     0.0005   -0.0245    0.0011   -0.0060    0.0013    0.0049
            Y     0.0013   -0.0023    0.0153   -0.0003   -0.0042   -0.0094
            Z     0.0053   -0.0003   -0.0059   -0.0295    0.0037   -0.0017
 AT. 111 O  X    -0.0005    0.0245   -0.0011   -0.0060    0.0013    0.0049
            Y     0.0013   -0.0023    0.0153    0.0003    0.0042    0.0094
            Z    -0.0053    0.0003    0.0059   -0.0295    0.0037   -0.0017
 AT. 112 O  X     0.0005    0.0245   -0.0011    0.0060   -0.0013   -0.0049
            Y    -0.0013   -0.0023    0.0153   -0.0003   -0.0042   -0.0094
            Z    -0.0053   -0.0003   -0.0059   -0.0295    0.0037   -0.0017
 AT. 113 O  X    -0.0005    0.0245    0.0011   -0.0060   -0.0013    0.0049
            Y    -0.0013    0.0023    0.0153   -0.0003    0.0042   -0.0094
            Z     0.0053   -0.0003    0.0059    0.0295    0.0037    0.0017
 AT. 114 O  X     0.0005    0.0245    0.0011    0.0060    0.0013   -0.0049
            Y     0.0013    0.0023    0.0153    0.0003   -0.0042    0.0094
            Z     0.0053    0.0003   -0.0059    0.0295    0.0037    0.0017
 AT. 115 O  X    -0.0005   -0.0245   -0.0011    0.0060    0.0013   -0.0049
            Y     0.0013    0.0023    0.0153   -0.0003    0.0042   -0.0094
            Z    -0.0053   -0.0003    0.0059    0.0295    0.0037    0.0017
 AT. 116 O  X     0.0005   -0.0245   -0.0011   -0.0060   -0.0013    0.0049
            Y    -0.0013    0.0023    0.0153    0.0003   -0.0042    0.0094
            Z    -0.0053    0.0003   -0.0059    0.0295    0.0037    0.0017
 AT. 117 O  X    -0.0072   -0.0181    0.0027   -0.0078    0.0245    0.0235
            Y    -0.0019    0.0091    0.0223   -0.0038    0.0023   -0.0031
            Z     0.0063    0.0143   -0.0012   -0.0150   -0.0291   -0.0263
 AT. 118 O  X     0.0072   -0.0181    0.0027    0.0078   -0.0245   -0.0235
            Y     0.0019    0.0091    0.0223    0.0038   -0.0023    0.0031
            Z     0.0063   -0.0143    0.0012   -0.0150   -0.0291   -0.0263
 AT. 119 O  X    -0.0072    0.0181   -0.0027    0.0078   -0.0245   -0.0235
            Y     0.0019    0.0091    0.0223   -0.0038    0.0023   -0.0031
            Z    -0.0063    0.0143   -0.0012   -0.0150   -0.0291   -0.0263
 AT. 120 O  X     0.0072    0.0181   -0.0027   -0.0078    0.0245    0.0235
            Y    -0.0019    0.0091    0.0223    0.0038   -0.0023    0.0031
            Z    -0.0063   -0.0143    0.0012   -0.0150   -0.0291   -0.0263
 AT. 121 O  X    -0.0072    0.0181    0.0027    0.0078    0.0245   -0.0235
            Y    -0.0019   -0.0091    0.0223    0.0038    0.0023    0.0031
            Z     0.0063   -0.0143   -0.0012    0.0150   -0.0291    0.0263
 AT. 122 O  X     0.0072    0.0181    0.0027   -0.0078   -0.0245    0.0235
            Y     0.0019   -0.0091    0.0223   -0.0038   -0.0023   -0.0031
            Z     0.0063    0.0143    0.0012    0.0150   -0.0291    0.0263
 AT. 123 O  X    -0.0072   -0.0181   -0.0027   -0.0078   -0.0245    0.0235
            Y     0.0019   -0.0091    0.0223    0.0038    0.0023    0.0031
            Z    -0.0063   -0.0143   -0.0012    0.0150   -0.0291    0.0263
 AT. 124 O  X     0.0072   -0.0181   -0.0027    0.0078    0.0245   -0.0235
            Y    -0.0019   -0.0091    0.0223   -0.0038   -0.0023   -0.0031
            Z    -0.0063    0.0143    0.0012    0.0150   -0.0291    0.0263

 FREQ(CM**-1)    111.37    112.99    113.11    117.65    119.20    120.18

 AT.   1 SI X    -0.0098    0.0073    0.0168    0.0047   -0.0041   -0.0076
            Y     0.0134    0.0122    0.0053    0.0014    0.0071   -0.0062
            Z     0.0060   -0.0104   -0.0005   -0.0044    0.0074    0.0058
 AT.   2 SI X    -0.0098    0.0073   -0.0168    0.0047    0.0041    0.0076
            Y     0.0134    0.0122   -0.0053    0.0014   -0.0071    0.0062
            Z    -0.0060    0.0104   -0.0005    0.0044    0.0074    0.0058
 AT.   3 SI X    -0.0098   -0.0073   -0.0168    0.0047   -0.0041   -0.0076
            Y    -0.0134    0.0122    0.0053   -0.0014   -0.0071    0.0062
            Z    -0.0060   -0.0104   -0.0005    0.0044   -0.0074   -0.0058
 AT.   4 SI X    -0.0098   -0.0073    0.0168    0.0047    0.0041    0.0076
            Y    -0.0134    0.0122   -0.0053   -0.0014    0.0071   -0.0062
            Z     0.0060    0.0104   -0.0005   -0.0044   -0.0074   -0.0058
 AT.   5 SI X    -0.0098   -0.0073    0.0168   -0.0047    0.0041   -0.0076
            Y     0.0134   -0.0122    0.0053   -0.0014   -0.0071   -0.0062
            Z     0.0060    0.0104   -0.0005    0.0044   -0.0074    0.0058
 AT.   6 SI X    -0.0098   -0.0073   -0.0168   -0.0047   -0.0041    0.0076
            Y     0.0134   -0.0122   -0.0053   -0.0014    0.0071    0.0062
            Z    -0.0060   -0.0104   -0.0005   -0.0044   -0.0074    0.0058
 AT.   7 SI X    -0.0098    0.0073   -0.0168   -0.0047    0.0041   -0.0076
            Y    -0.0134   -0.0122    0.0053    0.0014    0.0071    0.0062
            Z    -0.0060    0.0104   -0.0005   -0.0044    0.0074   -0.0058
 AT.   8 SI X    -0.0098    0.0073    0.0168   -0.0047   -0.0041    0.0076
            Y    -0.0134   -0.0122   -0.0053    0.0014   -0.0071   -0.0062
            Z     0.0060   -0.0104   -0.0005    0.0044    0.0074   -0.0058
 AT.   9 SI X     0.0101    0.0046    0.0197    0.0217   -0.0042    0.0100
            Y     0.0045    0.0094    0.0018    0.0032   -0.0036   -0.0079
            Z    -0.0125   -0.0098    0.0025    0.0025    0.0141    0.0193
 AT.  10 SI X     0.0101    0.0046   -0.0197    0.0217    0.0042   -0.0100
            Y     0.0045    0.0094   -0.0018    0.0032    0.0036    0.0079
            Z     0.0125    0.0098    0.0025   -0.0025    0.0141    0.0193
 AT.  11 SI X     0.0101   -0.0046   -0.0197    0.0217   -0.0042    0.0100
            Y    -0.0045    0.0094    0.0018   -0.0032    0.0036    0.0079
            Z     0.0125   -0.0098    0.0025   -0.0025   -0.0141   -0.0193
 AT.  12 SI X     0.0101   -0.0046    0.0197    0.0217    0.0042   -0.0100
            Y    -0.0045    0.0094   -0.0018   -0.0032   -0.0036   -0.0079
            Z    -0.0125    0.0098    0.0025    0.0025   -0.0141   -0.0193
 AT.  13 SI X     0.0101   -0.0046    0.0197   -0.0217    0.0042    0.0100
            Y     0.0045   -0.0094    0.0018   -0.0032    0.0036   -0.0079
            Z    -0.0125    0.0098    0.0025   -0.0025   -0.0141    0.0193
 AT.  14 SI X     0.0101   -0.0046   -0.0197   -0.0217   -0.0042   -0.0100
            Y     0.0045   -0.0094   -0.0018   -0.0032   -0.0036    0.0079
            Z     0.0125   -0.0098    0.0025    0.0025   -0.0141    0.0193
 AT.  15 SI X     0.0101    0.0046   -0.0197   -0.0217    0.0042    0.0100
            Y    -0.0045   -0.0094    0.0018    0.0032   -0.0036    0.0079
            Z     0.0125    0.0098    0.0025    0.0025    0.0141   -0.0193
 AT.  16 SI X     0.0101    0.0046    0.0197   -0.0217   -0.0042   -0.0100
            Y    -0.0045   -0.0094   -0.0018    0.0032    0.0036   -0.0079
            Z    -0.0125   -0.0098    0.0025   -0.0025    0.0141   -0.0193
 AT.  17 SI X     0.0126    0.0000    0.0106    0.0158    0.0000    0.0000
            Y     0.0000    0.0161    0.0000    0.0000   -0.0179   -0.0245
            Z    -0.0210    0.0000    0.0001   -0.0027    0.0000    0.0000
 AT.  18 SI X     0.0126    0.0000   -0.0106    0.0158    0.0000    0.0000
            Y     0.0000    0.0161    0.0000    0.0000    0.0179    0.0245
            Z     0.0210    0.0000    0.0001    0.0027    0.0000    0.0000
 AT.  19 SI X     0.0126    0.0000    0.0106   -0.0158    0.0000    0.0000
            Y     0.0000   -0.0161    0.0000    0.0000    0.0179   -0.0245
            Z    -0.0210    0.0000    0.0001    0.0027    0.0000    0.0000
 AT.  20 SI X     0.0126    0.0000   -0.0106   -0.0158    0.0000    0.0000
            Y     0.0000   -0.0161    0.0000    0.0000   -0.0179    0.0245
            Z     0.0210    0.0000    0.0001   -0.0027    0.0000    0.0000
 AT.  21 CA X    -0.0196   -0.0003    0.0052    0.0046    0.0012   -0.0032
            Y     0.0011    0.0006   -0.0029   -0.0022    0.0143    0.0015
            Z    -0.0028    0.0186   -0.0011    0.0025    0.0055    0.0015
 AT.  22 CA X    -0.0196   -0.0003   -0.0052    0.0046   -0.0012    0.0032
            Y     0.0011    0.0006    0.0029   -0.0022   -0.0143   -0.0015
            Z     0.0028   -0.0186   -0.0011   -0.0025    0.0055    0.0015
 AT.  23 CA X    -0.0196    0.0003   -0.0052    0.0046    0.0012   -0.0032
            Y    -0.0011    0.0006   -0.0029    0.0022   -0.0143   -0.0015
            Z     0.0028    0.0186   -0.0011   -0.0025   -0.0055   -0.0015
 AT.  24 CA X    -0.0196    0.0003    0.0052    0.0046   -0.0012    0.0032
            Y    -0.0011    0.0006    0.0029    0.0022    0.0143    0.0015
            Z    -0.0028   -0.0186   -0.0011    0.0025   -0.0055   -0.0015
 AT.  25 CA X    -0.0196    0.0003    0.0052   -0.0046   -0.0012   -0.0032
            Y     0.0011   -0.0006   -0.0029    0.0022   -0.0143    0.0015
            Z    -0.0028   -0.0186   -0.0011   -0.0025   -0.0055    0.0015
 AT.  26 CA X    -0.0196    0.0003   -0.0052   -0.0046    0.0012    0.0032
            Y     0.0011   -0.0006    0.0029    0.0022    0.0143   -0.0015
            Z     0.0028    0.0186   -0.0011    0.0025   -0.0055    0.0015
 AT.  27 CA X    -0.0196   -0.0003   -0.0052   -0.0046   -0.0012   -0.0032
            Y    -0.0011   -0.0006   -0.0029   -0.0022    0.0143   -0.0015
            Z     0.0028   -0.0186   -0.0011    0.0025    0.0055   -0.0015
 AT.  28 CA X    -0.0196   -0.0003    0.0052   -0.0046    0.0012    0.0032
            Y    -0.0011   -0.0006    0.0029   -0.0022   -0.0143    0.0015
            Z    -0.0028    0.0186   -0.0011   -0.0025    0.0055   -0.0015
 AT.  29 CA X    -0.0174    0.0000    0.0227    0.0000    0.0000   -0.0110
            Y     0.0141    0.0000   -0.0011    0.0000    0.0000   -0.0030
            Z     0.0101    0.0000   -0.0022    0.0000    0.0000    0.0040
 AT.  30 CA X    -0.0174    0.0000   -0.0227    0.0000    0.0000    0.0110
            Y     0.0141    0.0000    0.0011    0.0000    0.0000    0.0030
            Z    -0.0101    0.0000   -0.0022    0.0000    0.0000    0.0040
 AT.  31 CA X    -0.0174    0.0000   -0.0227    0.0000    0.0000   -0.0110
            Y    -0.0141    0.0000   -0.0011    0.0000    0.0000    0.0030
            Z    -0.0101    0.0000   -0.0022    0.0000    0.0000   -0.0040
 AT.  32 CA X    -0.0174    0.0000    0.0227    0.0000    0.0000    0.0110
            Y    -0.0141    0.0000    0.0011    0.0000    0.0000   -0.0030
            Z     0.0101    0.0000   -0.0022    0.0000    0.0000   -0.0040
 AT.  33 CA X     0.0026    0.0106    0.0202    0.0155   -0.0026    0.0009
            Y     0.0172    0.0331   -0.0043   -0.0050    0.0248   -0.0178
            Z     0.0037    0.0056   -0.0029   -0.0030    0.0254    0.0037
 AT.  34 CA X     0.0026    0.0106   -0.0202    0.0155    0.0026   -0.0009
            Y     0.0172    0.0331    0.0043   -0.0050   -0.0248    0.0178
            Z    -0.0037   -0.0056   -0.0029    0.0030    0.0254    0.0037
 AT.  35 CA X     0.0026   -0.0106   -0.0202    0.0155   -0.0026    0.0009
            Y    -0.0172    0.0331   -0.0043    0.0050   -0.0248    0.0178
            Z    -0.0037    0.0056   -0.0029    0.0030   -0.0254   -0.0037
 AT.  36 CA X     0.0026   -0.0106    0.0202    0.0155    0.0026   -0.0009
            Y    -0.0172    0.0331    0.0043    0.0050    0.0248   -0.0178
            Z     0.0037   -0.0056   -0.0029   -0.0030   -0.0254   -0.0037
 AT.  37 CA X     0.0026   -0.0106    0.0202   -0.0155    0.0026    0.0009
            Y     0.0172   -0.0331   -0.0043    0.0050   -0.0248   -0.0178
            Z     0.0037   -0.0056   -0.0029    0.0030   -0.0254    0.0037
 AT.  38 CA X     0.0026   -0.0106   -0.0202   -0.0155   -0.0026   -0.0009
            Y     0.0172   -0.0331    0.0043    0.0050    0.0248    0.0178
            Z    -0.0037    0.0056   -0.0029   -0.0030   -0.0254    0.0037
 AT.  39 CA X     0.0026    0.0106   -0.0202   -0.0155    0.0026    0.0009
            Y    -0.0172   -0.0331   -0.0043   -0.0050    0.0248    0.0178
            Z    -0.0037   -0.0056   -0.0029   -0.0030    0.0254   -0.0037
 AT.  40 CA X     0.0026    0.0106    0.0202   -0.0155   -0.0026   -0.0009
            Y    -0.0172   -0.0331    0.0043   -0.0050   -0.0248   -0.0178
            Z     0.0037    0.0056   -0.0029    0.0030    0.0254   -0.0037
 AT.  41 CA X     0.0079   -0.0005    0.0015   -0.0029   -0.0018    0.0130
            Y    -0.0013    0.0030   -0.0035   -0.0033    0.0057   -0.0029
            Z     0.0162    0.0030    0.0027   -0.0022    0.0041   -0.0028
 AT.  42 CA X     0.0079   -0.0005   -0.0015   -0.0029    0.0018   -0.0130
            Y    -0.0013    0.0030    0.0035   -0.0033   -0.0057    0.0029
            Z    -0.0162   -0.0030    0.0027    0.0022    0.0041   -0.0028
 AT.  43 CA X     0.0079    0.0005   -0.0015   -0.0029   -0.0018    0.0130
            Y     0.0013    0.0030   -0.0035    0.0033   -0.0057    0.0029
            Z    -0.0162    0.0030    0.0027    0.0022   -0.0041    0.0028
 AT.  44 CA X     0.0079    0.0005    0.0015   -0.0029    0.0018   -0.0130
            Y     0.0013    0.0030    0.0035    0.0033    0.0057   -0.0029
            Z     0.0162   -0.0030    0.0027   -0.0022   -0.0041    0.0028
 AT.  45 CA X     0.0079    0.0005    0.0015    0.0029    0.0018    0.0130
            Y    -0.0013   -0.0030   -0.0035    0.0033   -0.0057   -0.0029
            Z     0.0162   -0.0030    0.0027    0.0022   -0.0041   -0.0028
 AT.  46 CA X     0.0079    0.0005   -0.0015    0.0029   -0.0018   -0.0130
            Y    -0.0013   -0.0030    0.0035    0.0033    0.0057    0.0029
            Z    -0.0162    0.0030    0.0027   -0.0022   -0.0041   -0.0028
 AT.  47 CA X     0.0079   -0.0005   -0.0015    0.0029    0.0018    0.0130
            Y     0.0013   -0.0030   -0.0035   -0.0033    0.0057    0.0029
            Z    -0.0162   -0.0030    0.0027   -0.0022    0.0041    0.0028
 AT.  48 CA X     0.0079   -0.0005    0.0015    0.0029   -0.0018   -0.0130
            Y     0.0013   -0.0030    0.0035   -0.0033   -0.0057   -0.0029
            Z     0.0162    0.0030    0.0027    0.0022    0.0041    0.0028
 AT.  49 CA X     0.0106    0.0000    0.0449    0.0572    0.0000    0.0000
            Y     0.0000   -0.0127    0.0000    0.0000   -0.0184    0.0239
            Z     0.0027    0.0000   -0.0025   -0.0022    0.0000    0.0000
 AT.  50 CA X     0.0106    0.0000   -0.0449    0.0572    0.0000    0.0000
            Y     0.0000   -0.0127    0.0000    0.0000    0.0184   -0.0239
            Z    -0.0027    0.0000   -0.0025    0.0022    0.0000    0.0000
 AT.  51 CA X     0.0106    0.0000    0.0449   -0.0572    0.0000    0.0000
            Y     0.0000    0.0127    0.0000    0.0000    0.0184    0.0239
            Z     0.0027    0.0000   -0.0025    0.0022    0.0000    0.0000
 AT.  52 CA X     0.0106    0.0000   -0.0449   -0.0572    0.0000    0.0000
            Y     0.0000    0.0127    0.0000    0.0000   -0.0184   -0.0239
            Z    -0.0027    0.0000   -0.0025   -0.0022    0.0000    0.0000
 AT.  53 O  X    -0.0085    0.0077    0.0206    0.0074   -0.0080   -0.0089
            Y     0.0125    0.0127    0.0035    0.0002    0.0089   -0.0059
            Z     0.0042    0.0026   -0.0004   -0.0042    0.0144    0.0010
 AT.  54 O  X    -0.0085    0.0077   -0.0206    0.0074    0.0080    0.0089
            Y     0.0125    0.0127   -0.0035    0.0002   -0.0089    0.0059
            Z    -0.0042   -0.0026   -0.0004    0.0042    0.0144    0.0010
 AT.  55 O  X    -0.0085   -0.0077   -0.0206    0.0074   -0.0080   -0.0089
            Y    -0.0125    0.0127    0.0035   -0.0002   -0.0089    0.0059
            Z    -0.0042    0.0026   -0.0004    0.0042   -0.0144   -0.0010
 AT.  56 O  X    -0.0085   -0.0077    0.0206    0.0074    0.0080    0.0089
            Y    -0.0125    0.0127   -0.0035   -0.0002    0.0089   -0.0059
            Z     0.0042   -0.0026   -0.0004   -0.0042   -0.0144   -0.0010
 AT.  57 O  X    -0.0085   -0.0077    0.0206   -0.0074    0.0080   -0.0089
            Y     0.0125   -0.0127    0.0035   -0.0002   -0.0089   -0.0059
            Z     0.0042   -0.0026   -0.0004    0.0042   -0.0144    0.0010
 AT.  58 O  X    -0.0085   -0.0077   -0.0206   -0.0074   -0.0080    0.0089
            Y     0.0125   -0.0127   -0.0035   -0.0002    0.0089    0.0059
            Z    -0.0042    0.0026   -0.0004   -0.0042   -0.0144    0.0010
 AT.  59 O  X    -0.0085    0.0077   -0.0206   -0.0074    0.0080   -0.0089
            Y    -0.0125   -0.0127    0.0035    0.0002    0.0089    0.0059
            Z    -0.0042   -0.0026   -0.0004   -0.0042    0.0144   -0.0010
 AT.  60 O  X    -0.0085    0.0077    0.0206   -0.0074   -0.0080    0.0089
            Y    -0.0125   -0.0127   -0.0035    0.0002   -0.0089   -0.0059
            Z     0.0042    0.0026   -0.0004    0.0042    0.0144   -0.0010
 AT.  61 O  X    -0.0030    0.0125    0.0122    0.0031   -0.0028   -0.0063
            Y     0.0132    0.0221    0.0035    0.0003    0.0139   -0.0119
            Z     0.0094   -0.0130   -0.0016   -0.0039    0.0045    0.0094
 AT.  62 O  X    -0.0030    0.0125   -0.0122    0.0031    0.0028    0.0063
            Y     0.0132    0.0221   -0.0035    0.0003   -0.0139    0.0119
            Z    -0.0094    0.0130   -0.0016    0.0039    0.0045    0.0094
 AT.  63 O  X    -0.0030   -0.0125   -0.0122    0.0031   -0.0028   -0.0063
            Y    -0.0132    0.0221    0.0035   -0.0003   -0.0139    0.0119
            Z    -0.0094   -0.0130   -0.0016    0.0039   -0.0045   -0.0094
 AT.  64 O  X    -0.0030   -0.0125    0.0122    0.0031    0.0028    0.0063
            Y    -0.0132    0.0221   -0.0035   -0.0003    0.0139   -0.0119
            Z     0.0094    0.0130   -0.0016   -0.0039   -0.0045   -0.0094
 AT.  65 O  X    -0.0030   -0.0125    0.0122   -0.0031    0.0028   -0.0063
            Y     0.0132   -0.0221    0.0035   -0.0003   -0.0139   -0.0119
            Z     0.0094    0.0130   -0.0016    0.0039   -0.0045    0.0094
 AT.  66 O  X    -0.0030   -0.0125   -0.0122   -0.0031   -0.0028    0.0063
            Y     0.0132   -0.0221   -0.0035   -0.0003    0.0139    0.0119
            Z    -0.0094   -0.0130   -0.0016   -0.0039   -0.0045    0.0094
 AT.  67 O  X    -0.0030    0.0125   -0.0122   -0.0031    0.0028   -0.0063
            Y    -0.0132   -0.0221    0.0035    0.0003    0.0139    0.0119
            Z    -0.0094    0.0130   -0.0016   -0.0039    0.0045   -0.0094
 AT.  68 O  X    -0.0030    0.0125    0.0122   -0.0031   -0.0028    0.0063
            Y    -0.0132   -0.0221   -0.0035    0.0003   -0.0139   -0.0119
            Z     0.0094   -0.0130   -0.0016    0.0039    0.0045   -0.0094
 AT.  69 O  X    -0.0142    0.0037    0.0135    0.0017   -0.0001   -0.0052
            Y     0.0119    0.0037    0.0037    0.0010    0.0008   -0.0012
            Z     0.0076   -0.0136    0.0003   -0.0025    0.0020    0.0069
 AT.  70 O  X    -0.0142    0.0037   -0.0135    0.0017    0.0001    0.0052
            Y     0.0119    0.0037   -0.0037    0.0010   -0.0008    0.0012
            Z    -0.0076    0.0136    0.0003    0.0025    0.0020    0.0069
 AT.  71 O  X    -0.0142   -0.0037   -0.0135    0.0017   -0.0001   -0.0052
            Y    -0.0119    0.0037    0.0037   -0.0010   -0.0008    0.0012
            Z    -0.0076   -0.0136    0.0003    0.0025   -0.0020   -0.0069
 AT.  72 O  X    -0.0142   -0.0037    0.0135    0.0017    0.0001    0.0052
            Y    -0.0119    0.0037   -0.0037   -0.0010    0.0008   -0.0012
            Z     0.0076    0.0136    0.0003   -0.0025   -0.0020   -0.0069
 AT.  73 O  X    -0.0142   -0.0037    0.0135   -0.0017    0.0001   -0.0052
            Y     0.0119   -0.0037    0.0037   -0.0010   -0.0008   -0.0012
            Z     0.0076    0.0136    0.0003    0.0025   -0.0020    0.0069
 AT.  74 O  X    -0.0142   -0.0037   -0.0135   -0.0017   -0.0001    0.0052
            Y     0.0119   -0.0037   -0.0037   -0.0010    0.0008    0.0012
            Z    -0.0076   -0.0136    0.0003   -0.0025   -0.0020    0.0069
 AT.  75 O  X    -0.0142    0.0037   -0.0135   -0.0017    0.0001   -0.0052
            Y    -0.0119   -0.0037    0.0037    0.0010    0.0008    0.0012
            Z    -0.0076    0.0136    0.0003   -0.0025    0.0020   -0.0069
 AT.  76 O  X    -0.0142    0.0037    0.0135   -0.0017   -0.0001    0.0052
            Y    -0.0119   -0.0037   -0.0037    0.0010   -0.0008   -0.0012
            Z     0.0076   -0.0136    0.0003    0.0025    0.0020   -0.0069
 AT.  77 O  X    -0.0097    0.0075    0.0167    0.0045   -0.0036   -0.0074
            Y     0.0156    0.0143    0.0055    0.0021    0.0049   -0.0080
            Z     0.0047   -0.0114   -0.0011   -0.0018    0.0100    0.0082
 AT.  78 O  X    -0.0097    0.0075   -0.0167    0.0045    0.0036    0.0074
            Y     0.0156    0.0143   -0.0055    0.0021   -0.0049    0.0080
            Z    -0.0047    0.0114   -0.0011    0.0018    0.0100    0.0082
 AT.  79 O  X    -0.0097   -0.0075   -0.0167    0.0045   -0.0036   -0.0074
            Y    -0.0156    0.0143    0.0055   -0.0021   -0.0049    0.0080
            Z    -0.0047   -0.0114   -0.0011    0.0018   -0.0100   -0.0082
 AT.  80 O  X    -0.0097   -0.0075    0.0167    0.0045    0.0036    0.0074
            Y    -0.0156    0.0143   -0.0055   -0.0021    0.0049   -0.0080
            Z     0.0047    0.0114   -0.0011   -0.0018   -0.0100   -0.0082
 AT.  81 O  X    -0.0097   -0.0075    0.0167   -0.0045    0.0036   -0.0074
            Y     0.0156   -0.0143    0.0055   -0.0021   -0.0049   -0.0080
            Z     0.0047    0.0114   -0.0011    0.0018   -0.0100    0.0082
 AT.  82 O  X    -0.0097   -0.0075   -0.0167   -0.0045   -0.0036    0.0074
            Y     0.0156   -0.0143   -0.0055   -0.0021    0.0049    0.0080
            Z    -0.0047   -0.0114   -0.0011   -0.0018   -0.0100    0.0082
 AT.  83 O  X    -0.0097    0.0075   -0.0167   -0.0045    0.0036   -0.0074
            Y    -0.0156   -0.0143    0.0055    0.0021    0.0049    0.0080
            Z    -0.0047    0.0114   -0.0011   -0.0018    0.0100   -0.0082
 AT.  84 O  X    -0.0097    0.0075    0.0167   -0.0045   -0.0036    0.0074
            Y    -0.0156   -0.0143   -0.0055    0.0021   -0.0049   -0.0080
            Z     0.0047   -0.0114   -0.0011    0.0018    0.0100   -0.0082
 AT.  85 O  X     0.0083    0.0140    0.0143    0.0161   -0.0032    0.0016
            Y     0.0129    0.0110    0.0009    0.0031    0.0065   -0.0009
            Z    -0.0179   -0.0046    0.0000   -0.0009    0.0101    0.0103
 AT.  86 O  X     0.0083    0.0140   -0.0143    0.0161    0.0032   -0.0016
            Y     0.0129    0.0110   -0.0009    0.0031   -0.0065    0.0009
            Z     0.0179    0.0046    0.0000    0.0009    0.0101    0.0103
 AT.  87 O  X     0.0083   -0.0140   -0.0143    0.0161   -0.0032    0.0016
            Y    -0.0129    0.0110    0.0009   -0.0031   -0.0065    0.0009
            Z     0.0179   -0.0046    0.0000    0.0009   -0.0101   -0.0103
 AT.  88 O  X     0.0083   -0.0140    0.0143    0.0161    0.0032   -0.0016
            Y    -0.0129    0.0110   -0.0009   -0.0031    0.0065   -0.0009
            Z    -0.0179    0.0046    0.0000   -0.0009   -0.0101   -0.0103
 AT.  89 O  X     0.0083   -0.0140    0.0143   -0.0161    0.0032    0.0016
            Y     0.0129   -0.0110    0.0009   -0.0031   -0.0065   -0.0009
            Z    -0.0179    0.0046    0.0000    0.0009   -0.0101    0.0103
 AT.  90 O  X     0.0083   -0.0140   -0.0143   -0.0161   -0.0032   -0.0016
            Y     0.0129   -0.0110   -0.0009   -0.0031    0.0065    0.0009
            Z     0.0179   -0.0046    0.0000   -0.0009   -0.0101    0.0103
 AT.  91 O  X     0.0083    0.0140   -0.0143   -0.0161    0.0032    0.0016
            Y    -0.0129   -0.0110    0.0009    0.0031    0.0065    0.0009
            Z     0.0179    0.0046    0.0000   -0.0009    0.0101   -0.0103
 AT.  92 O  X     0.0083    0.0140    0.0143   -0.0161   -0.0032   -0.0016
            Y    -0.0129   -0.0110   -0.0009    0.0031   -0.0065   -0.0009
            Z    -0.0179   -0.0046    0.0000    0.0009    0.0101   -0.0103
 AT.  93 O  X     0.0090   -0.0013    0.0206    0.0195   -0.0100    0.0177
            Y     0.0035    0.0112    0.0011    0.0036   -0.0020   -0.0109
            Z     0.0028   -0.0079   -0.0002   -0.0014    0.0226    0.0265
 AT.  94 O  X     0.0090   -0.0013   -0.0206    0.0195    0.0100   -0.0177
            Y     0.0035    0.0112   -0.0011    0.0036    0.0020    0.0109
            Z    -0.0028    0.0079   -0.0002    0.0014    0.0226    0.0265
 AT.  95 O  X     0.0090    0.0013   -0.0206    0.0195   -0.0100    0.0177
            Y    -0.0035    0.0112    0.0011   -0.0036    0.0020    0.0109
            Z    -0.0028   -0.0079   -0.0002    0.0014   -0.0226   -0.0265
 AT.  96 O  X     0.0090    0.0013    0.0206    0.0195    0.0100   -0.0177
            Y    -0.0035    0.0112   -0.0011   -0.0036   -0.0020   -0.0109
            Z     0.0028    0.0079   -0.0002   -0.0014   -0.0226   -0.0265
 AT.  97 O  X     0.0090    0.0013    0.0206   -0.0195    0.0100    0.0177
            Y     0.0035   -0.0112    0.0011   -0.0036    0.0020   -0.0109
            Z     0.0028    0.0079   -0.0002    0.0014   -0.0226    0.0265
 AT.  98 O  X     0.0090    0.0013   -0.0206   -0.0195   -0.0100   -0.0177
            Y     0.0035   -0.0112   -0.0011   -0.0036   -0.0020    0.0109
            Z    -0.0028   -0.0079   -0.0002   -0.0014   -0.0226    0.0265
 AT.  99 O  X     0.0090   -0.0013   -0.0206   -0.0195    0.0100    0.0177
            Y    -0.0035   -0.0112    0.0011    0.0036   -0.0020    0.0109
            Z    -0.0028    0.0079   -0.0002   -0.0014    0.0226   -0.0265
 AT. 100 O  X     0.0090   -0.0013    0.0206   -0.0195   -0.0100   -0.0177
            Y    -0.0035   -0.0112   -0.0011    0.0036    0.0020   -0.0109
            Z     0.0028   -0.0079   -0.0002    0.0014    0.0226   -0.0265
 AT. 101 O  X     0.0142   -0.0007    0.0170    0.0218    0.0025    0.0073
            Y    -0.0023    0.0138   -0.0043   -0.0036   -0.0136   -0.0219
            Z    -0.0196   -0.0039    0.0008   -0.0013    0.0065    0.0098
 AT. 102 O  X     0.0142   -0.0007   -0.0170    0.0218   -0.0025   -0.0073
            Y    -0.0023    0.0138    0.0043   -0.0036    0.0136    0.0219
            Z     0.0196    0.0039    0.0008    0.0013    0.0065    0.0098
 AT. 103 O  X     0.0142    0.0007   -0.0170    0.0218    0.0025    0.0073
            Y     0.0023    0.0138   -0.0043    0.0036    0.0136    0.0219
            Z     0.0196   -0.0039    0.0008    0.0013   -0.0065   -0.0098
 AT. 104 O  X     0.0142    0.0007    0.0170    0.0218   -0.0025   -0.0073
            Y     0.0023    0.0138    0.0043    0.0036   -0.0136   -0.0219
            Z    -0.0196    0.0039    0.0008   -0.0013   -0.0065   -0.0098
 AT. 105 O  X     0.0142    0.0007    0.0170   -0.0218   -0.0025    0.0073
            Y    -0.0023   -0.0138   -0.0043    0.0036    0.0136   -0.0219
            Z    -0.0196    0.0039    0.0008    0.0013   -0.0065    0.0098
 AT. 106 O  X     0.0142    0.0007   -0.0170   -0.0218    0.0025   -0.0073
            Y    -0.0023   -0.0138    0.0043    0.0036   -0.0136    0.0219
            Z     0.0196   -0.0039    0.0008   -0.0013   -0.0065    0.0098
 AT. 107 O  X     0.0142   -0.0007   -0.0170   -0.0218   -0.0025    0.0073
            Y     0.0023   -0.0138   -0.0043   -0.0036   -0.0136    0.0219
            Z     0.0196    0.0039    0.0008   -0.0013    0.0065   -0.0098
 AT. 108 O  X     0.0142   -0.0007    0.0170   -0.0218    0.0025   -0.0073
            Y     0.0023   -0.0138    0.0043   -0.0036    0.0136   -0.0219
            Z    -0.0196   -0.0039    0.0008    0.0013    0.0065   -0.0098
 AT. 109 O  X     0.0106    0.0047    0.0193    0.0213   -0.0045    0.0095
            Y     0.0038    0.0036    0.0057    0.0061   -0.0041    0.0022
            Z    -0.0135   -0.0151    0.0052    0.0042    0.0165    0.0163
 AT. 110 O  X     0.0106    0.0047   -0.0193    0.0213    0.0045   -0.0095
            Y     0.0038    0.0036   -0.0057    0.0061    0.0041   -0.0022
            Z     0.0135    0.0151    0.0052   -0.0042    0.0165    0.0163
 AT. 111 O  X     0.0106   -0.0047   -0.0193    0.0213   -0.0045    0.0095
            Y    -0.0038    0.0036    0.0057   -0.0061    0.0041   -0.0022
            Z     0.0135   -0.0151    0.0052   -0.0042   -0.0165   -0.0163
 AT. 112 O  X     0.0106   -0.0047    0.0193    0.0213    0.0045   -0.0095
            Y    -0.0038    0.0036   -0.0057   -0.0061   -0.0041    0.0022
            Z    -0.0135    0.0151    0.0052    0.0042   -0.0165   -0.0163
 AT. 113 O  X     0.0106   -0.0047    0.0193   -0.0213    0.0045    0.0095
            Y     0.0038   -0.0036    0.0057   -0.0061    0.0041    0.0022
            Z    -0.0135    0.0151    0.0052   -0.0042   -0.0165    0.0163
 AT. 114 O  X     0.0106   -0.0047   -0.0193   -0.0213   -0.0045   -0.0095
            Y     0.0038   -0.0036   -0.0057   -0.0061   -0.0041   -0.0022
            Z     0.0135   -0.0151    0.0052    0.0042   -0.0165    0.0163
 AT. 115 O  X     0.0106    0.0047   -0.0193   -0.0213    0.0045    0.0095
            Y    -0.0038   -0.0036    0.0057    0.0061   -0.0041   -0.0022
            Z     0.0135    0.0151    0.0052    0.0042    0.0165   -0.0163
 AT. 116 O  X     0.0106    0.0047    0.0193   -0.0213   -0.0045   -0.0095
            Y    -0.0038   -0.0036   -0.0057    0.0061    0.0041    0.0022
            Z    -0.0135   -0.0151    0.0052   -0.0042    0.0165   -0.0163
 AT. 117 O  X     0.0123   -0.0066   -0.0017    0.0010    0.0136    0.0143
            Y    -0.0002    0.0156    0.0091    0.0114   -0.0149   -0.0257
            Z    -0.0202    0.0080    0.0021   -0.0011   -0.0161   -0.0130
 AT. 118 O  X     0.0123   -0.0066    0.0017    0.0010   -0.0136   -0.0143
            Y    -0.0002    0.0156   -0.0091    0.0114    0.0149    0.0257
            Z     0.0202   -0.0080    0.0021    0.0011   -0.0161   -0.0130
 AT. 119 O  X     0.0123    0.0066    0.0017    0.0010    0.0136    0.0143
            Y     0.0002    0.0156    0.0091   -0.0114    0.0149    0.0257
            Z     0.0202    0.0080    0.0021    0.0011    0.0161    0.0130
 AT. 120 O  X     0.0123    0.0066   -0.0017    0.0010   -0.0136   -0.0143
            Y     0.0002    0.0156   -0.0091   -0.0114   -0.0149   -0.0257
            Z    -0.0202   -0.0080    0.0021   -0.0011    0.0161    0.0130
 AT. 121 O  X     0.0123    0.0066   -0.0017   -0.0010   -0.0136    0.0143
            Y    -0.0002   -0.0156    0.0091   -0.0114    0.0149   -0.0257
            Z    -0.0202   -0.0080    0.0021    0.0011    0.0161   -0.0130
 AT. 122 O  X     0.0123    0.0066    0.0017   -0.0010    0.0136   -0.0143
            Y    -0.0002   -0.0156   -0.0091   -0.0114   -0.0149    0.0257
            Z     0.0202    0.0080    0.0021   -0.0011    0.0161   -0.0130
 AT. 123 O  X     0.0123   -0.0066    0.0017   -0.0010   -0.0136    0.0143
            Y     0.0002   -0.0156    0.0091    0.0114   -0.0149    0.0257
            Z     0.0202   -0.0080    0.0021   -0.0011   -0.0161    0.0130
 AT. 124 O  X     0.0123   -0.0066   -0.0017   -0.0010    0.0136   -0.0143
            Y     0.0002   -0.0156   -0.0091    0.0114    0.0149   -0.0257
            Z    -0.0202    0.0080    0.0021    0.0011   -0.0161    0.0130

 FREQ(CM**-1)    120.51    121.31    122.65    123.10    125.32    127.97

 AT.   1 SI X    -0.0256    0.0009   -0.0017    0.0027   -0.0164    0.0027
            Y    -0.0090    0.0167    0.0087   -0.0083   -0.0086    0.0058
            Z    -0.0024    0.0144   -0.0089   -0.0090   -0.0041   -0.0080
 AT.   2 SI X    -0.0256   -0.0009    0.0017    0.0027    0.0164    0.0027
            Y    -0.0090   -0.0167   -0.0087   -0.0083    0.0086    0.0058
            Z     0.0024    0.0144   -0.0089    0.0090   -0.0041    0.0080
 AT.   3 SI X     0.0256    0.0009    0.0017    0.0027    0.0164   -0.0027
            Y    -0.0090   -0.0167    0.0087    0.0083   -0.0086    0.0058
            Z    -0.0024   -0.0144   -0.0089    0.0090   -0.0041   -0.0080
 AT.   4 SI X     0.0256   -0.0009   -0.0017    0.0027   -0.0164   -0.0027
            Y    -0.0090    0.0167   -0.0087    0.0083    0.0086    0.0058
            Z     0.0024   -0.0144   -0.0089   -0.0090   -0.0041    0.0080
 AT.   5 SI X    -0.0256    0.0009    0.0017    0.0027   -0.0164   -0.0027
            Y    -0.0090    0.0167   -0.0087   -0.0083   -0.0086   -0.0058
            Z    -0.0024    0.0144    0.0089   -0.0090   -0.0041    0.0080
 AT.   6 SI X    -0.0256   -0.0009   -0.0017    0.0027    0.0164   -0.0027
            Y    -0.0090   -0.0167    0.0087   -0.0083    0.0086   -0.0058
            Z     0.0024    0.0144    0.0089    0.0090   -0.0041   -0.0080
 AT.   7 SI X     0.0256    0.0009   -0.0017    0.0027    0.0164    0.0027
            Y    -0.0090   -0.0167   -0.0087    0.0083   -0.0086   -0.0058
            Z    -0.0024   -0.0144    0.0089    0.0090   -0.0041    0.0080
 AT.   8 SI X     0.0256   -0.0009    0.0017    0.0027   -0.0164    0.0027
            Y    -0.0090    0.0167    0.0087    0.0083    0.0086   -0.0058
            Z     0.0024   -0.0144    0.0089   -0.0090   -0.0041   -0.0080
 AT.   9 SI X    -0.0102   -0.0001   -0.0009   -0.0019    0.0000    0.0034
            Y     0.0017   -0.0066    0.0175    0.0169    0.0096   -0.0004
            Z     0.0039   -0.0031    0.0028   -0.0028    0.0119   -0.0162
 AT.  10 SI X    -0.0102    0.0001    0.0009   -0.0019    0.0000    0.0034
            Y     0.0017    0.0066   -0.0175    0.0169   -0.0096   -0.0004
            Z    -0.0039   -0.0031    0.0028    0.0028    0.0119    0.0162
 AT.  11 SI X     0.0102   -0.0001    0.0009   -0.0019    0.0000   -0.0034
            Y     0.0017    0.0066    0.0175   -0.0169    0.0096   -0.0004
            Z     0.0039    0.0031    0.0028    0.0028    0.0119   -0.0162
 AT.  12 SI X     0.0102    0.0001   -0.0009   -0.0019    0.0000   -0.0034
            Y     0.0017   -0.0066   -0.0175   -0.0169   -0.0096   -0.0004
            Z    -0.0039    0.0031    0.0028   -0.0028    0.0119    0.0162
 AT.  13 SI X    -0.0102   -0.0001    0.0009   -0.0019    0.0000   -0.0034
            Y     0.0017   -0.0066   -0.0175    0.0169    0.0096    0.0004
            Z     0.0039   -0.0031   -0.0028   -0.0028    0.0119    0.0162
 AT.  14 SI X    -0.0102    0.0001   -0.0009   -0.0019    0.0000   -0.0034
            Y     0.0017    0.0066    0.0175    0.0169   -0.0096    0.0004
            Z    -0.0039   -0.0031   -0.0028    0.0028    0.0119   -0.0162
 AT.  15 SI X     0.0102   -0.0001   -0.0009   -0.0019    0.0000    0.0034
            Y     0.0017    0.0066   -0.0175   -0.0169    0.0096    0.0004
            Z     0.0039    0.0031   -0.0028    0.0028    0.0119    0.0162
 AT.  16 SI X     0.0102    0.0001    0.0009   -0.0019    0.0000    0.0034
            Y     0.0017   -0.0066    0.0175   -0.0169   -0.0096    0.0004
            Z    -0.0039    0.0031   -0.0028   -0.0028    0.0119   -0.0162
 AT.  17 SI X     0.0000    0.0000    0.0025   -0.0019    0.0007    0.0000
            Y    -0.0004   -0.0016    0.0000    0.0000    0.0000    0.0188
            Z     0.0000    0.0000   -0.0121   -0.0178    0.0027    0.0000
 AT.  18 SI X     0.0000    0.0000   -0.0025   -0.0019   -0.0007    0.0000
            Y    -0.0004    0.0016    0.0000    0.0000    0.0000    0.0188
            Z     0.0000    0.0000   -0.0121    0.0178    0.0027    0.0000
 AT.  19 SI X     0.0000    0.0000   -0.0025   -0.0019    0.0007    0.0000
            Y    -0.0004   -0.0016    0.0000    0.0000    0.0000   -0.0188
            Z     0.0000    0.0000    0.0121   -0.0178    0.0027    0.0000
 AT.  20 SI X     0.0000    0.0000    0.0025   -0.0019   -0.0007    0.0000
            Y    -0.0004    0.0016    0.0000    0.0000    0.0000   -0.0188
            Z     0.0000    0.0000    0.0121    0.0178    0.0027    0.0000
 AT.  21 CA X    -0.0029   -0.0098   -0.0078    0.0082   -0.0001    0.0003
            Y     0.0034   -0.0010    0.0036    0.0027   -0.0004   -0.0108
            Z     0.0013   -0.0153    0.0210    0.0134   -0.0009   -0.0086
 AT.  22 CA X    -0.0029    0.0098    0.0078    0.0082    0.0001    0.0003
            Y     0.0034    0.0010   -0.0036    0.0027    0.0004   -0.0108
            Z    -0.0013   -0.0153    0.0210   -0.0134   -0.0009    0.0086
 AT.  23 CA X     0.0029   -0.0098    0.0078    0.0082    0.0001   -0.0003
            Y     0.0034    0.0010    0.0036   -0.0027   -0.0004   -0.0108
            Z     0.0013    0.0153    0.0210   -0.0134   -0.0009   -0.0086
 AT.  24 CA X     0.0029    0.0098   -0.0078    0.0082   -0.0001   -0.0003
            Y     0.0034   -0.0010   -0.0036   -0.0027    0.0004   -0.0108
            Z    -0.0013    0.0153    0.0210    0.0134   -0.0009    0.0086
 AT.  25 CA X    -0.0029   -0.0098    0.0078    0.0082   -0.0001   -0.0003
            Y     0.0034   -0.0010   -0.0036    0.0027   -0.0004    0.0108
            Z     0.0013   -0.0153   -0.0210    0.0134   -0.0009    0.0086
 AT.  26 CA X    -0.0029    0.0098   -0.0078    0.0082    0.0001   -0.0003
            Y     0.0034    0.0010    0.0036    0.0027    0.0004    0.0108
            Z    -0.0013   -0.0153   -0.0210   -0.0134   -0.0009   -0.0086
 AT.  27 CA X     0.0029   -0.0098   -0.0078    0.0082    0.0001    0.0003
            Y     0.0034    0.0010   -0.0036   -0.0027   -0.0004    0.0108
            Z     0.0013    0.0153   -0.0210   -0.0134   -0.0009    0.0086
 AT.  28 CA X     0.0029    0.0098    0.0078    0.0082   -0.0001    0.0003
            Y     0.0034   -0.0010    0.0036   -0.0027    0.0004    0.0108
            Z    -0.0013    0.0153   -0.0210    0.0134   -0.0009   -0.0086
 AT.  29 CA X    -0.0356   -0.0026    0.0000    0.0075   -0.0217    0.0000
            Y    -0.0008    0.0480    0.0000   -0.0348   -0.0042    0.0000
            Z     0.0017    0.0048    0.0000   -0.0029   -0.0046    0.0000
 AT.  30 CA X    -0.0356    0.0026    0.0000    0.0075    0.0217    0.0000
            Y    -0.0008   -0.0480    0.0000   -0.0348    0.0042    0.0000
            Z    -0.0017    0.0048    0.0000    0.0029   -0.0046    0.0000
 AT.  31 CA X     0.0356   -0.0026    0.0000    0.0075    0.0217    0.0000
            Y    -0.0008   -0.0480    0.0000    0.0348   -0.0042    0.0000
            Z     0.0017   -0.0048    0.0000    0.0029   -0.0046    0.0000
 AT.  32 CA X     0.0356    0.0026    0.0000    0.0075   -0.0217    0.0000
            Y    -0.0008    0.0480    0.0000    0.0348    0.0042    0.0000
            Z    -0.0017   -0.0048    0.0000   -0.0029   -0.0046    0.0000
 AT.  33 CA X    -0.0217    0.0015   -0.0031   -0.0042   -0.0123    0.0056
            Y     0.0044   -0.0016    0.0262    0.0158    0.0013   -0.0181
            Z     0.0036    0.0035    0.0046   -0.0037   -0.0019   -0.0247
 AT.  34 CA X    -0.0217   -0.0015    0.0031   -0.0042    0.0123    0.0056
            Y     0.0044    0.0016   -0.0262    0.0158   -0.0013   -0.0181
            Z    -0.0036    0.0035    0.0046    0.0037   -0.0019    0.0247
 AT.  35 CA X     0.0217    0.0015    0.0031   -0.0042    0.0123   -0.0056
            Y     0.0044    0.0016    0.0262   -0.0158    0.0013   -0.0181
            Z     0.0036   -0.0035    0.0046    0.0037   -0.0019   -0.0247
 AT.  36 CA X     0.0217   -0.0015   -0.0031   -0.0042   -0.0123   -0.0056
            Y     0.0044   -0.0016   -0.0262   -0.0158   -0.0013   -0.0181
            Z    -0.0036   -0.0035    0.0046   -0.0037   -0.0019    0.0247
 AT.  37 CA X    -0.0217    0.0015    0.0031   -0.0042   -0.0123   -0.0056
            Y     0.0044   -0.0016   -0.0262    0.0158    0.0013    0.0181
            Z     0.0036    0.0035   -0.0046   -0.0037   -0.0019    0.0247
 AT.  38 CA X    -0.0217   -0.0015   -0.0031   -0.0042    0.0123   -0.0056
            Y     0.0044    0.0016    0.0262    0.0158   -0.0013    0.0181
            Z    -0.0036    0.0035   -0.0046    0.0037   -0.0019   -0.0247
 AT.  39 CA X     0.0217    0.0015   -0.0031   -0.0042    0.0123    0.0056
            Y     0.0044    0.0016   -0.0262   -0.0158    0.0013    0.0181
            Z     0.0036   -0.0035   -0.0046    0.0037   -0.0019    0.0247
 AT.  40 CA X     0.0217   -0.0015    0.0031   -0.0042   -0.0123    0.0056
            Y     0.0044   -0.0016    0.0262   -0.0158   -0.0013    0.0181
            Z    -0.0036   -0.0035   -0.0046   -0.0037   -0.0019   -0.0247
 AT.  41 CA X    -0.0064    0.0045   -0.0101   -0.0112    0.0004    0.0002
            Y     0.0052    0.0010   -0.0007   -0.0037    0.0076   -0.0031
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            Y     0.0052   -0.0010    0.0007   -0.0037   -0.0076   -0.0031
            Z     0.0074    0.0103   -0.0002   -0.0063   -0.0087    0.0036
 AT.  43 CA X     0.0064    0.0045    0.0101   -0.0112   -0.0004   -0.0002
            Y     0.0052   -0.0010   -0.0007    0.0037    0.0076   -0.0031
            Z    -0.0074   -0.0103   -0.0002   -0.0063   -0.0087   -0.0036
 AT.  44 CA X     0.0064   -0.0045   -0.0101   -0.0112    0.0004   -0.0002
            Y     0.0052    0.0010    0.0007    0.0037   -0.0076   -0.0031
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 AT.  45 CA X    -0.0064    0.0045    0.0101   -0.0112    0.0004   -0.0002
            Y     0.0052    0.0010    0.0007   -0.0037    0.0076    0.0031
            Z    -0.0074    0.0103    0.0002    0.0063   -0.0087    0.0036
 AT.  46 CA X    -0.0064   -0.0045   -0.0101   -0.0112   -0.0004   -0.0002
            Y     0.0052   -0.0010   -0.0007   -0.0037   -0.0076    0.0031
            Z     0.0074    0.0103    0.0002   -0.0063   -0.0087   -0.0036
 AT.  47 CA X     0.0064    0.0045   -0.0101   -0.0112   -0.0004    0.0002
            Y     0.0052   -0.0010    0.0007    0.0037    0.0076    0.0031
            Z    -0.0074   -0.0103    0.0002   -0.0063   -0.0087    0.0036
 AT.  48 CA X     0.0064   -0.0045    0.0101   -0.0112    0.0004    0.0002
            Y     0.0052    0.0010   -0.0007    0.0037   -0.0076    0.0031
            Z     0.0074   -0.0103    0.0002    0.0063   -0.0087   -0.0036
 AT.  49 CA X     0.0000    0.0000    0.0081   -0.0038    0.0479    0.0000
            Y    -0.0002   -0.0043    0.0000    0.0000    0.0000   -0.0102
            Z     0.0000    0.0000    0.0194    0.0108   -0.0056    0.0000
 AT.  50 CA X     0.0000    0.0000   -0.0081   -0.0038   -0.0479    0.0000
            Y    -0.0002    0.0043    0.0000    0.0000    0.0000   -0.0102
            Z     0.0000    0.0000    0.0194   -0.0108   -0.0056    0.0000
 AT.  51 CA X     0.0000    0.0000   -0.0081   -0.0038    0.0479    0.0000
            Y    -0.0002   -0.0043    0.0000    0.0000    0.0000    0.0102
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 AT.  52 CA X     0.0000    0.0000    0.0081   -0.0038   -0.0479    0.0000
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            Y    -0.0072    0.0155    0.0095   -0.0070   -0.0075    0.0006
            Z    -0.0009    0.0000    0.0035    0.0019   -0.0020   -0.0141
 AT.  54 O  X    -0.0294   -0.0022    0.0024    0.0011    0.0189    0.0118
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 AT.  56 O  X     0.0294   -0.0022   -0.0024    0.0011   -0.0189   -0.0118
            Y    -0.0072    0.0155   -0.0095    0.0070    0.0075    0.0006
            Z     0.0009    0.0000    0.0035    0.0019   -0.0020    0.0141
 AT.  57 O  X    -0.0294    0.0022    0.0024    0.0011   -0.0189   -0.0118
            Y    -0.0072    0.0155   -0.0095   -0.0070   -0.0075   -0.0006
            Z    -0.0009    0.0000   -0.0035    0.0019   -0.0020    0.0141
 AT.  58 O  X    -0.0294   -0.0022   -0.0024    0.0011    0.0189   -0.0118
            Y    -0.0072   -0.0155    0.0095   -0.0070    0.0075   -0.0006
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 AT.  59 O  X     0.0294    0.0022   -0.0024    0.0011    0.0189    0.0118
            Y    -0.0072   -0.0155   -0.0095    0.0070   -0.0075   -0.0006
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            Y    -0.0072    0.0155    0.0095    0.0070    0.0075   -0.0006
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 AT.  61 O  X    -0.0198   -0.0057   -0.0011    0.0093   -0.0112   -0.0012
            Y    -0.0052    0.0067    0.0158   -0.0003   -0.0044   -0.0026
            Z    -0.0011    0.0163   -0.0124   -0.0096   -0.0027   -0.0048
 AT.  62 O  X    -0.0198    0.0057    0.0011    0.0093    0.0112   -0.0012
            Y    -0.0052   -0.0067   -0.0158   -0.0003    0.0044   -0.0026
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            Y    -0.0052   -0.0067    0.0158    0.0003   -0.0044   -0.0026
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            Y    -0.0052    0.0067   -0.0158    0.0003    0.0044   -0.0026
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 AT.  65 O  X    -0.0198   -0.0057    0.0011    0.0093   -0.0112    0.0012
            Y    -0.0052    0.0067   -0.0158   -0.0003   -0.0044    0.0026
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 AT.  66 O  X    -0.0198    0.0057   -0.0011    0.0093    0.0112    0.0012
            Y    -0.0052   -0.0067    0.0158   -0.0003    0.0044    0.0026
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 AT.  67 O  X     0.0198   -0.0057   -0.0011    0.0093    0.0112   -0.0012
            Y    -0.0052   -0.0067   -0.0158    0.0003   -0.0044    0.0026
            Z    -0.0011   -0.0163    0.0124    0.0096   -0.0027    0.0048
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            Y    -0.0052    0.0067    0.0158    0.0003    0.0044    0.0026
            Z     0.0011   -0.0163    0.0124   -0.0096   -0.0027   -0.0048
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            Y    -0.0074    0.0267    0.0010   -0.0165   -0.0077    0.0087
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 AT.  70 O  X    -0.0215   -0.0090   -0.0006   -0.0050    0.0146   -0.0036
            Y    -0.0074   -0.0267   -0.0010   -0.0165    0.0077    0.0087
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 AT.  71 O  X     0.0215    0.0090   -0.0006   -0.0050    0.0146    0.0036
            Y    -0.0074   -0.0267    0.0010    0.0165   -0.0077    0.0087
            Z    -0.0030   -0.0157   -0.0146    0.0095   -0.0036   -0.0027
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            Y    -0.0074    0.0267   -0.0010    0.0165    0.0077    0.0087
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 AT.  73 O  X    -0.0215    0.0090   -0.0006   -0.0050   -0.0146    0.0036
            Y    -0.0074    0.0267   -0.0010   -0.0165   -0.0077   -0.0087
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 AT.  74 O  X    -0.0215   -0.0090    0.0006   -0.0050    0.0146    0.0036
            Y    -0.0074   -0.0267    0.0010   -0.0165    0.0077   -0.0087
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            Y    -0.0074   -0.0267   -0.0010    0.0165   -0.0077   -0.0087
            Z    -0.0030   -0.0157    0.0146    0.0095   -0.0036    0.0027
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            Y    -0.0074    0.0267    0.0010    0.0165    0.0077   -0.0087
            Z     0.0030   -0.0157    0.0146   -0.0095   -0.0036   -0.0027
 AT.  77 O  X    -0.0254    0.0008   -0.0016    0.0027   -0.0162    0.0026
            Y    -0.0086    0.0204    0.0098   -0.0104   -0.0081    0.0088
            Z     0.0008    0.0206   -0.0091   -0.0184   -0.0015   -0.0087
 AT.  78 O  X    -0.0254   -0.0008    0.0016    0.0027    0.0162    0.0026
            Y    -0.0086   -0.0204   -0.0098   -0.0104    0.0081    0.0088
            Z    -0.0008    0.0206   -0.0091    0.0184   -0.0015    0.0087
 AT.  79 O  X     0.0254    0.0008    0.0016    0.0027    0.0162   -0.0026
            Y    -0.0086   -0.0204    0.0098    0.0104   -0.0081    0.0088
            Z     0.0008   -0.0206   -0.0091    0.0184   -0.0015   -0.0087
 AT.  80 O  X     0.0254   -0.0008   -0.0016    0.0027   -0.0162   -0.0026
            Y    -0.0086    0.0204   -0.0098    0.0104    0.0081    0.0088
            Z    -0.0008   -0.0206   -0.0091   -0.0184   -0.0015    0.0087
 AT.  81 O  X    -0.0254    0.0008    0.0016    0.0027   -0.0162   -0.0026
            Y    -0.0086    0.0204   -0.0098   -0.0104   -0.0081   -0.0088
            Z     0.0008    0.0206    0.0091   -0.0184   -0.0015    0.0087
 AT.  82 O  X    -0.0254   -0.0008   -0.0016    0.0027    0.0162   -0.0026
            Y    -0.0086   -0.0204    0.0098   -0.0104    0.0081   -0.0088
            Z    -0.0008    0.0206    0.0091    0.0184   -0.0015   -0.0087
 AT.  83 O  X     0.0254    0.0008   -0.0016    0.0027    0.0162    0.0026
            Y    -0.0086   -0.0204   -0.0098    0.0104   -0.0081   -0.0088
            Z     0.0008   -0.0206    0.0091    0.0184   -0.0015    0.0087
 AT.  84 O  X     0.0254   -0.0008    0.0016    0.0027   -0.0162    0.0026
            Y    -0.0086    0.0204    0.0098    0.0104    0.0081   -0.0088
            Z    -0.0008   -0.0206    0.0091   -0.0184   -0.0015   -0.0087
 AT.  85 O  X    -0.0100   -0.0043    0.0016    0.0040   -0.0076    0.0034
            Y     0.0041   -0.0076    0.0189    0.0216    0.0075   -0.0175
            Z     0.0018   -0.0051    0.0028   -0.0027    0.0073   -0.0069
 AT.  86 O  X    -0.0100    0.0043   -0.0016    0.0040    0.0076    0.0034
            Y     0.0041    0.0076   -0.0189    0.0216   -0.0075   -0.0175
            Z    -0.0018   -0.0051    0.0028    0.0027    0.0073    0.0069
 AT.  87 O  X     0.0100   -0.0043   -0.0016    0.0040    0.0076   -0.0034
            Y     0.0041    0.0076    0.0189   -0.0216    0.0075   -0.0175
            Z     0.0018    0.0051    0.0028    0.0027    0.0073   -0.0069
 AT.  88 O  X     0.0100    0.0043    0.0016    0.0040   -0.0076   -0.0034
            Y     0.0041   -0.0076   -0.0189   -0.0216   -0.0075   -0.0175
            Z    -0.0018    0.0051    0.0028   -0.0027    0.0073    0.0069
 AT.  89 O  X    -0.0100   -0.0043   -0.0016    0.0040   -0.0076   -0.0034
            Y     0.0041   -0.0076   -0.0189    0.0216    0.0075    0.0175
            Z     0.0018   -0.0051   -0.0028   -0.0027    0.0073    0.0069
 AT.  90 O  X    -0.0100    0.0043    0.0016    0.0040    0.0076   -0.0034
            Y     0.0041    0.0076    0.0189    0.0216   -0.0075    0.0175
            Z    -0.0018   -0.0051   -0.0028    0.0027    0.0073   -0.0069
 AT.  91 O  X     0.0100   -0.0043    0.0016    0.0040    0.0076    0.0034
            Y     0.0041    0.0076   -0.0189   -0.0216    0.0075    0.0175
            Z     0.0018    0.0051   -0.0028    0.0027    0.0073    0.0069
 AT.  92 O  X     0.0100    0.0043   -0.0016    0.0040   -0.0076    0.0034
            Y     0.0041   -0.0076    0.0189   -0.0216   -0.0075    0.0175
            Z    -0.0018    0.0051   -0.0028   -0.0027    0.0073   -0.0069
 AT.  93 O  X    -0.0143   -0.0007   -0.0012    0.0010    0.0017    0.0043
            Y     0.0034   -0.0061    0.0172    0.0146    0.0089   -0.0001
            Z     0.0039   -0.0013    0.0038    0.0036    0.0054   -0.0343
 AT.  94 O  X    -0.0143    0.0007    0.0012    0.0010   -0.0017    0.0043
            Y     0.0034    0.0061   -0.0172    0.0146   -0.0089   -0.0001
            Z    -0.0039   -0.0013    0.0038   -0.0036    0.0054    0.0343
 AT.  95 O  X     0.0143   -0.0007    0.0012    0.0010   -0.0017   -0.0043
            Y     0.0034    0.0061    0.0172   -0.0146    0.0089   -0.0001
            Z     0.0039    0.0013    0.0038   -0.0036    0.0054   -0.0343
 AT.  96 O  X     0.0143    0.0007   -0.0012    0.0010    0.0017   -0.0043
            Y     0.0034   -0.0061   -0.0172   -0.0146   -0.0089   -0.0001
            Z    -0.0039    0.0013    0.0038    0.0036    0.0054    0.0343
 AT.  97 O  X    -0.0143   -0.0007    0.0012    0.0010    0.0017   -0.0043
            Y     0.0034   -0.0061   -0.0172    0.0146    0.0089    0.0001
            Z     0.0039   -0.0013   -0.0038    0.0036    0.0054    0.0343
 AT.  98 O  X    -0.0143    0.0007   -0.0012    0.0010   -0.0017   -0.0043
            Y     0.0034    0.0061    0.0172    0.0146   -0.0089    0.0001
            Z    -0.0039   -0.0013   -0.0038   -0.0036    0.0054   -0.0343
 AT.  99 O  X     0.0143   -0.0007   -0.0012    0.0010   -0.0017    0.0043
            Y     0.0034    0.0061   -0.0172   -0.0146    0.0089    0.0001
            Z     0.0039    0.0013   -0.0038   -0.0036    0.0054    0.0343
 AT. 100 O  X     0.0143    0.0007    0.0012    0.0010    0.0017    0.0043
            Y     0.0034   -0.0061    0.0172   -0.0146   -0.0089    0.0001
            Z    -0.0039    0.0013   -0.0038    0.0036    0.0054   -0.0343
 AT. 101 O  X    -0.0026    0.0008   -0.0020   -0.0043    0.0013    0.0027
            Y     0.0016   -0.0036    0.0161    0.0117    0.0038    0.0177
            Z    -0.0003   -0.0017    0.0017   -0.0062    0.0070    0.0002
 AT. 102 O  X    -0.0026   -0.0008    0.0020   -0.0043   -0.0013    0.0027
            Y     0.0016    0.0036   -0.0161    0.0117   -0.0038    0.0177
            Z     0.0003   -0.0017    0.0017    0.0062    0.0070   -0.0002
 AT. 103 O  X     0.0026    0.0008    0.0020   -0.0043   -0.0013   -0.0027
            Y     0.0016    0.0036    0.0161   -0.0117    0.0038    0.0177
            Z    -0.0003    0.0017    0.0017    0.0062    0.0070    0.0002
 AT. 104 O  X     0.0026   -0.0008   -0.0020   -0.0043    0.0013   -0.0027
            Y     0.0016   -0.0036   -0.0161   -0.0117   -0.0038    0.0177
            Z     0.0003    0.0017    0.0017   -0.0062    0.0070   -0.0002
 AT. 105 O  X    -0.0026    0.0008    0.0020   -0.0043    0.0013   -0.0027
            Y     0.0016   -0.0036   -0.0161    0.0117    0.0038   -0.0177
            Z    -0.0003   -0.0017   -0.0017   -0.0062    0.0070   -0.0002
 AT. 106 O  X    -0.0026   -0.0008   -0.0020   -0.0043   -0.0013   -0.0027
            Y     0.0016    0.0036    0.0161    0.0117   -0.0038   -0.0177
            Z     0.0003   -0.0017   -0.0017    0.0062    0.0070    0.0002
 AT. 107 O  X     0.0026    0.0008   -0.0020   -0.0043   -0.0013    0.0027
            Y     0.0016    0.0036   -0.0161   -0.0117    0.0038   -0.0177
            Z    -0.0003    0.0017   -0.0017    0.0062    0.0070   -0.0002
 AT. 108 O  X     0.0026   -0.0008    0.0020   -0.0043    0.0013    0.0027
            Y     0.0016   -0.0036    0.0161   -0.0117   -0.0038   -0.0177
            Z     0.0003    0.0017   -0.0017   -0.0062    0.0070    0.0002
 AT. 109 O  X    -0.0106   -0.0003   -0.0012   -0.0016   -0.0014    0.0041
            Y     0.0007   -0.0055    0.0152    0.0149    0.0148   -0.0040
            Z     0.0030   -0.0020   -0.0005   -0.0058    0.0141   -0.0162
 AT. 110 O  X    -0.0106    0.0003    0.0012   -0.0016    0.0014    0.0041
            Y     0.0007    0.0055   -0.0152    0.0149   -0.0148   -0.0040
            Z    -0.0030   -0.0020   -0.0005    0.0058    0.0141    0.0162
 AT. 111 O  X     0.0106   -0.0003    0.0012   -0.0016    0.0014   -0.0041
            Y     0.0007    0.0055    0.0152   -0.0149    0.0148   -0.0040
            Z     0.0030    0.0020   -0.0005    0.0058    0.0141   -0.0162
 AT. 112 O  X     0.0106    0.0003   -0.0012   -0.0016   -0.0014   -0.0041
            Y     0.0007   -0.0055   -0.0152   -0.0149   -0.0148   -0.0040
            Z    -0.0030    0.0020   -0.0005   -0.0058    0.0141    0.0162
 AT. 113 O  X    -0.0106   -0.0003    0.0012   -0.0016   -0.0014   -0.0041
            Y     0.0007   -0.0055   -0.0152    0.0149    0.0148    0.0040
            Z     0.0030   -0.0020    0.0005   -0.0058    0.0141    0.0162
 AT. 114 O  X    -0.0106    0.0003   -0.0012   -0.0016    0.0014   -0.0041
            Y     0.0007    0.0055    0.0152    0.0149   -0.0148    0.0040
            Z    -0.0030   -0.0020    0.0005    0.0058    0.0141   -0.0162
 AT. 115 O  X     0.0106   -0.0003   -0.0012   -0.0016    0.0014    0.0041
            Y     0.0007    0.0055   -0.0152   -0.0149    0.0148    0.0040
            Z     0.0030    0.0020    0.0005    0.0058    0.0141    0.0162
 AT. 116 O  X     0.0106    0.0003    0.0012   -0.0016   -0.0014    0.0041
            Y     0.0007   -0.0055    0.0152   -0.0149   -0.0148    0.0040
            Z    -0.0030    0.0020    0.0005   -0.0058    0.0141   -0.0162
 AT. 117 O  X     0.0032    0.0017    0.0116    0.0054   -0.0101    0.0104
            Y     0.0007    0.0001    0.0038    0.0025    0.0120    0.0178
            Z    -0.0040   -0.0036   -0.0245   -0.0274    0.0004   -0.0084
 AT. 118 O  X     0.0032   -0.0017   -0.0116    0.0054    0.0101    0.0104
            Y     0.0007   -0.0001   -0.0038    0.0025   -0.0120    0.0178
            Z     0.0040   -0.0036   -0.0245    0.0274    0.0004    0.0084
 AT. 119 O  X    -0.0032    0.0017   -0.0116    0.0054    0.0101   -0.0104
            Y     0.0007   -0.0001    0.0038   -0.0025    0.0120    0.0178
            Z    -0.0040    0.0036   -0.0245    0.0274    0.0004   -0.0084
 AT. 120 O  X    -0.0032   -0.0017    0.0116    0.0054   -0.0101   -0.0104
            Y     0.0007    0.0001   -0.0038   -0.0025   -0.0120    0.0178
            Z     0.0040    0.0036   -0.0245   -0.0274    0.0004    0.0084
 AT. 121 O  X     0.0032    0.0017   -0.0116    0.0054   -0.0101   -0.0104
            Y     0.0007    0.0001   -0.0038    0.0025    0.0120   -0.0178
            Z    -0.0040   -0.0036    0.0245   -0.0274    0.0004    0.0084
 AT. 122 O  X     0.0032   -0.0017    0.0116    0.0054    0.0101   -0.0104
            Y     0.0007   -0.0001    0.0038    0.0025   -0.0120   -0.0178
            Z     0.0040   -0.0036    0.0245    0.0274    0.0004   -0.0084
 AT. 123 O  X    -0.0032    0.0017    0.0116    0.0054    0.0101    0.0104
            Y     0.0007   -0.0001   -0.0038   -0.0025    0.0120   -0.0178
            Z    -0.0040    0.0036    0.0245    0.0274    0.0004    0.0084
 AT. 124 O  X    -0.0032   -0.0017   -0.0116    0.0054   -0.0101    0.0104
            Y     0.0007    0.0001    0.0038   -0.0025   -0.0120   -0.0178
            Z     0.0040    0.0036    0.0245   -0.0274    0.0004   -0.0084

 FREQ(CM**-1)    130.46    130.54    132.69    135.07    141.17    143.39

 AT.   1 SI X    -0.0038   -0.0110   -0.0015   -0.0053    0.0037   -0.0084
            Y    -0.0025    0.0009   -0.0111   -0.0030    0.0011    0.0060
            Z     0.0005   -0.0046    0.0140   -0.0098   -0.0113   -0.0091
 AT.   2 SI X    -0.0038    0.0110    0.0015   -0.0053    0.0037    0.0084
            Y    -0.0025   -0.0009    0.0111   -0.0030    0.0011   -0.0060
            Z    -0.0005   -0.0046    0.0140    0.0098    0.0113   -0.0091
 AT.   3 SI X    -0.0038    0.0110    0.0015   -0.0053   -0.0037   -0.0084
            Y     0.0025    0.0009   -0.0111    0.0030    0.0011   -0.0060
            Z    -0.0005   -0.0046    0.0140    0.0098   -0.0113    0.0091
 AT.   4 SI X    -0.0038   -0.0110   -0.0015   -0.0053   -0.0037    0.0084
            Y     0.0025   -0.0009    0.0111    0.0030    0.0011    0.0060
            Z     0.0005   -0.0046    0.0140   -0.0098    0.0113    0.0091
 AT.   5 SI X     0.0038   -0.0110    0.0015   -0.0053    0.0037   -0.0084
            Y     0.0025    0.0009    0.0111   -0.0030    0.0011    0.0060
            Z    -0.0005   -0.0046   -0.0140   -0.0098   -0.0113   -0.0091
 AT.   6 SI X     0.0038    0.0110   -0.0015   -0.0053    0.0037    0.0084
            Y     0.0025   -0.0009   -0.0111   -0.0030    0.0011   -0.0060
            Z     0.0005   -0.0046   -0.0140    0.0098    0.0113   -0.0091
 AT.   7 SI X     0.0038    0.0110   -0.0015   -0.0053   -0.0037   -0.0084
            Y    -0.0025    0.0009    0.0111    0.0030    0.0011   -0.0060
            Z     0.0005   -0.0046   -0.0140    0.0098   -0.0113    0.0091
 AT.   8 SI X     0.0038   -0.0110    0.0015   -0.0053   -0.0037    0.0084
            Y    -0.0025   -0.0009   -0.0111    0.0030    0.0011    0.0060
            Z    -0.0005   -0.0046   -0.0140   -0.0098    0.0113    0.0091
 AT.   9 SI X     0.0075    0.0134   -0.0004    0.0057    0.0003    0.0175
            Y    -0.0028   -0.0041    0.0100   -0.0119   -0.0066    0.0048
            Z    -0.0045   -0.0021    0.0063   -0.0109   -0.0017   -0.0054
 AT.  10 SI X     0.0075   -0.0134    0.0004    0.0057    0.0003   -0.0175
            Y    -0.0028    0.0041   -0.0100   -0.0119   -0.0066   -0.0048
            Z     0.0045   -0.0021    0.0063    0.0109    0.0017   -0.0054
 AT.  11 SI X     0.0075   -0.0134    0.0004    0.0057   -0.0003    0.0175
            Y     0.0028   -0.0041    0.0100    0.0119   -0.0066   -0.0048
            Z     0.0045   -0.0021    0.0063    0.0109   -0.0017    0.0054
 AT.  12 SI X     0.0075    0.0134   -0.0004    0.0057   -0.0003   -0.0175
            Y     0.0028    0.0041   -0.0100    0.0119   -0.0066    0.0048
            Z    -0.0045   -0.0021    0.0063   -0.0109    0.0017    0.0054
 AT.  13 SI X    -0.0075    0.0134    0.0004    0.0057    0.0003    0.0175
            Y     0.0028   -0.0041   -0.0100   -0.0119   -0.0066    0.0048
            Z     0.0045   -0.0021   -0.0063   -0.0109   -0.0017   -0.0054
 AT.  14 SI X    -0.0075   -0.0134   -0.0004    0.0057    0.0003   -0.0175
            Y     0.0028    0.0041    0.0100   -0.0119   -0.0066   -0.0048
            Z    -0.0045   -0.0021   -0.0063    0.0109    0.0017   -0.0054
 AT.  15 SI X    -0.0075   -0.0134   -0.0004    0.0057   -0.0003    0.0175
            Y    -0.0028   -0.0041   -0.0100    0.0119   -0.0066   -0.0048
            Z    -0.0045   -0.0021   -0.0063    0.0109   -0.0017    0.0054
 AT.  16 SI X    -0.0075    0.0134    0.0004    0.0057   -0.0003   -0.0175
            Y    -0.0028    0.0041    0.0100    0.0119   -0.0066    0.0048
            Z     0.0045   -0.0021   -0.0063   -0.0109    0.0017    0.0054
 AT.  17 SI X     0.0329    0.0297    0.0039   -0.0014    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0096    0.0106
            Z    -0.0027    0.0004   -0.0150    0.0075    0.0000    0.0000
 AT.  18 SI X     0.0329   -0.0297   -0.0039   -0.0014    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0096   -0.0106
            Z     0.0027    0.0004   -0.0150   -0.0075    0.0000    0.0000
 AT.  19 SI X    -0.0329    0.0297   -0.0039   -0.0014    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0096    0.0106
            Z     0.0027    0.0004    0.0150    0.0075    0.0000    0.0000
 AT.  20 SI X    -0.0329   -0.0297    0.0039   -0.0014    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0096   -0.0106
            Z    -0.0027    0.0004    0.0150   -0.0075    0.0000    0.0000
 AT.  21 CA X     0.0118    0.0087    0.0054   -0.0050    0.0035   -0.0148
            Y    -0.0035    0.0045    0.0070   -0.0029   -0.0013    0.0023
            Z     0.0005    0.0028   -0.0162    0.0056   -0.0170    0.0028
 AT.  22 CA X     0.0118   -0.0087   -0.0054   -0.0050    0.0035    0.0148
            Y    -0.0035   -0.0045   -0.0070   -0.0029   -0.0013   -0.0023
            Z    -0.0005    0.0028   -0.0162   -0.0056    0.0170    0.0028
 AT.  23 CA X     0.0118   -0.0087   -0.0054   -0.0050   -0.0035   -0.0148
            Y     0.0035    0.0045    0.0070    0.0029   -0.0013   -0.0023
            Z    -0.0005    0.0028   -0.0162   -0.0056   -0.0170   -0.0028
 AT.  24 CA X     0.0118    0.0087    0.0054   -0.0050   -0.0035    0.0148
            Y     0.0035   -0.0045   -0.0070    0.0029   -0.0013    0.0023
            Z     0.0005    0.0028   -0.0162    0.0056    0.0170   -0.0028
 AT.  25 CA X    -0.0118    0.0087   -0.0054   -0.0050    0.0035   -0.0148
            Y     0.0035    0.0045   -0.0070   -0.0029   -0.0013    0.0023
            Z    -0.0005    0.0028    0.0162    0.0056   -0.0170    0.0028
 AT.  26 CA X    -0.0118   -0.0087    0.0054   -0.0050    0.0035    0.0148
            Y     0.0035   -0.0045    0.0070   -0.0029   -0.0013   -0.0023
            Z     0.0005    0.0028    0.0162   -0.0056    0.0170    0.0028
 AT.  27 CA X    -0.0118   -0.0087    0.0054   -0.0050   -0.0035   -0.0148
            Y    -0.0035    0.0045   -0.0070    0.0029   -0.0013   -0.0023
            Z     0.0005    0.0028    0.0162   -0.0056   -0.0170   -0.0028
 AT.  28 CA X    -0.0118    0.0087   -0.0054   -0.0050   -0.0035    0.0148
            Y    -0.0035   -0.0045    0.0070    0.0029   -0.0013    0.0023
            Z    -0.0005    0.0028    0.0162    0.0056    0.0170   -0.0028
 AT.  29 CA X     0.0000   -0.0146    0.0000   -0.0080    0.0039   -0.0181
            Y     0.0000    0.0076    0.0000   -0.0279   -0.0196   -0.0011
            Z     0.0000   -0.0018    0.0000    0.0013    0.0064   -0.0043
 AT.  30 CA X     0.0000    0.0146    0.0000   -0.0080    0.0039    0.0181
            Y     0.0000   -0.0076    0.0000   -0.0279   -0.0196    0.0011
            Z     0.0000   -0.0018    0.0000   -0.0013   -0.0064   -0.0043
 AT.  31 CA X     0.0000    0.0146    0.0000   -0.0080   -0.0039   -0.0181
            Y     0.0000    0.0076    0.0000    0.0279   -0.0196    0.0011
            Z     0.0000   -0.0018    0.0000   -0.0013    0.0064    0.0043
 AT.  32 CA X     0.0000   -0.0146    0.0000   -0.0080   -0.0039    0.0181
            Y     0.0000   -0.0076    0.0000    0.0279   -0.0196   -0.0011
            Z     0.0000   -0.0018    0.0000    0.0013   -0.0064    0.0043
 AT.  33 CA X     0.0013    0.0007   -0.0036    0.0034    0.0066    0.0122
            Y    -0.0015   -0.0048   -0.0085    0.0070    0.0265    0.0129
            Z     0.0026    0.0018    0.0081   -0.0050    0.0151   -0.0042
 AT.  34 CA X     0.0013   -0.0007    0.0036    0.0034    0.0066   -0.0122
            Y    -0.0015    0.0048    0.0085    0.0070    0.0265   -0.0129
            Z    -0.0026    0.0018    0.0081    0.0050   -0.0151   -0.0042
 AT.  35 CA X     0.0013   -0.0007    0.0036    0.0034   -0.0066    0.0122
            Y     0.0015   -0.0048   -0.0085   -0.0070    0.0265   -0.0129
            Z    -0.0026    0.0018    0.0081    0.0050    0.0151    0.0042
 AT.  36 CA X     0.0013    0.0007   -0.0036    0.0034   -0.0066   -0.0122
            Y     0.0015    0.0048    0.0085   -0.0070    0.0265    0.0129
            Z     0.0026    0.0018    0.0081   -0.0050   -0.0151    0.0042
 AT.  37 CA X    -0.0013    0.0007    0.0036    0.0034    0.0066    0.0122
            Y     0.0015   -0.0048    0.0085    0.0070    0.0265    0.0129
            Z    -0.0026    0.0018   -0.0081   -0.0050    0.0151   -0.0042
 AT.  38 CA X    -0.0013   -0.0007   -0.0036    0.0034    0.0066   -0.0122
            Y     0.0015    0.0048   -0.0085    0.0070    0.0265   -0.0129
            Z     0.0026    0.0018   -0.0081    0.0050   -0.0151   -0.0042
 AT.  39 CA X    -0.0013   -0.0007   -0.0036    0.0034   -0.0066    0.0122
            Y    -0.0015   -0.0048    0.0085   -0.0070    0.0265   -0.0129
            Z     0.0026    0.0018   -0.0081    0.0050    0.0151    0.0042
 AT.  40 CA X    -0.0013    0.0007    0.0036    0.0034   -0.0066   -0.0122
            Y    -0.0015    0.0048   -0.0085   -0.0070    0.0265    0.0129
            Z    -0.0026    0.0018   -0.0081   -0.0050   -0.0151    0.0042
 AT.  41 CA X    -0.0273   -0.0276   -0.0031    0.0101   -0.0076    0.0144
            Y    -0.0013   -0.0047   -0.0084    0.0044    0.0068   -0.0059
            Z     0.0050    0.0031    0.0166   -0.0039   -0.0137    0.0078
 AT.  42 CA X    -0.0273    0.0276    0.0031    0.0101   -0.0076   -0.0144
            Y    -0.0013    0.0047    0.0084    0.0044    0.0068    0.0059
            Z    -0.0050    0.0031    0.0166    0.0039    0.0137    0.0078
 AT.  43 CA X    -0.0273    0.0276    0.0031    0.0101    0.0076    0.0144
            Y     0.0013   -0.0047   -0.0084   -0.0044    0.0068    0.0059
            Z    -0.0050    0.0031    0.0166    0.0039   -0.0137   -0.0078
 AT.  44 CA X    -0.0273   -0.0276   -0.0031    0.0101    0.0076   -0.0144
            Y     0.0013    0.0047    0.0084   -0.0044    0.0068   -0.0059
            Z     0.0050    0.0031    0.0166   -0.0039    0.0137   -0.0078
 AT.  45 CA X     0.0273   -0.0276    0.0031    0.0101   -0.0076    0.0144
            Y     0.0013   -0.0047    0.0084    0.0044    0.0068   -0.0059
            Z    -0.0050    0.0031   -0.0166   -0.0039   -0.0137    0.0078
 AT.  46 CA X     0.0273    0.0276   -0.0031    0.0101   -0.0076   -0.0144
            Y     0.0013    0.0047   -0.0084    0.0044    0.0068    0.0059
            Z     0.0050    0.0031   -0.0166    0.0039    0.0137    0.0078
 AT.  47 CA X     0.0273    0.0276   -0.0031    0.0101    0.0076    0.0144
            Y    -0.0013   -0.0047    0.0084   -0.0044    0.0068    0.0059
            Z     0.0050    0.0031   -0.0166    0.0039   -0.0137   -0.0078
 AT.  48 CA X     0.0273   -0.0276    0.0031    0.0101    0.0076   -0.0144
            Y    -0.0013    0.0047   -0.0084   -0.0044    0.0068   -0.0059
            Z    -0.0050    0.0031   -0.0166   -0.0039    0.0137   -0.0078
 AT.  49 CA X    -0.0222   -0.0028   -0.0006   -0.0015    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0132   -0.0043
            Z     0.0074    0.0186    0.0281   -0.0330    0.0000    0.0000
 AT.  50 CA X    -0.0222    0.0028    0.0006   -0.0015    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0132    0.0043
            Z    -0.0074    0.0186    0.0281    0.0330    0.0000    0.0000
 AT.  51 CA X     0.0222   -0.0028    0.0006   -0.0015    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0132   -0.0043
            Z    -0.0074    0.0186   -0.0281   -0.0330    0.0000    0.0000
 AT.  52 CA X     0.0222    0.0028   -0.0006   -0.0015    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0132    0.0043
            Z     0.0074    0.0186   -0.0281    0.0330    0.0000    0.0000
 AT.  53 O  X     0.0002   -0.0082   -0.0063   -0.0039    0.0051   -0.0083
            Y    -0.0041   -0.0004   -0.0088   -0.0036    0.0012    0.0057
            Z     0.0016   -0.0061    0.0029    0.0017    0.0037   -0.0064
 AT.  54 O  X     0.0002    0.0082    0.0063   -0.0039    0.0051    0.0083
            Y    -0.0041    0.0004    0.0088   -0.0036    0.0012   -0.0057
            Z    -0.0016   -0.0061    0.0029   -0.0017   -0.0037   -0.0064
 AT.  55 O  X     0.0002    0.0082    0.0063   -0.0039   -0.0051   -0.0083
            Y     0.0041   -0.0004   -0.0088    0.0036    0.0012   -0.0057
            Z    -0.0016   -0.0061    0.0029   -0.0017    0.0037    0.0064
 AT.  56 O  X     0.0002   -0.0082   -0.0063   -0.0039   -0.0051    0.0083
            Y     0.0041    0.0004    0.0088    0.0036    0.0012    0.0057
            Z     0.0016   -0.0061    0.0029    0.0017   -0.0037    0.0064
 AT.  57 O  X    -0.0002   -0.0082    0.0063   -0.0039    0.0051   -0.0083
            Y     0.0041   -0.0004    0.0088   -0.0036    0.0012    0.0057
            Z    -0.0016   -0.0061   -0.0029    0.0017    0.0037   -0.0064
 AT.  58 O  X    -0.0002    0.0082   -0.0063   -0.0039    0.0051    0.0083
            Y     0.0041    0.0004   -0.0088   -0.0036    0.0012   -0.0057
            Z     0.0016   -0.0061   -0.0029   -0.0017   -0.0037   -0.0064
 AT.  59 O  X    -0.0002    0.0082   -0.0063   -0.0039   -0.0051   -0.0083
            Y    -0.0041   -0.0004    0.0088    0.0036    0.0012   -0.0057
            Z     0.0016   -0.0061   -0.0029   -0.0017    0.0037    0.0064
 AT.  60 O  X    -0.0002   -0.0082    0.0063   -0.0039   -0.0051    0.0083
            Y    -0.0041    0.0004   -0.0088    0.0036    0.0012    0.0057
            Z    -0.0016   -0.0061   -0.0029    0.0017   -0.0037    0.0064
 AT.  61 O  X    -0.0078   -0.0139    0.0002    0.0048    0.0024    0.0050
            Y    -0.0024   -0.0011   -0.0159    0.0057    0.0114    0.0081
            Z    -0.0012   -0.0045    0.0176   -0.0092   -0.0171   -0.0032
 AT.  62 O  X    -0.0078    0.0139   -0.0002    0.0048    0.0024   -0.0050
            Y    -0.0024    0.0011    0.0159    0.0057    0.0114   -0.0081
            Z     0.0012   -0.0045    0.0176    0.0092    0.0171   -0.0032
 AT.  63 O  X    -0.0078    0.0139   -0.0002    0.0048   -0.0024    0.0050
            Y     0.0024   -0.0011   -0.0159   -0.0057    0.0114   -0.0081
            Z     0.0012   -0.0045    0.0176    0.0092   -0.0171    0.0032
 AT.  64 O  X    -0.0078   -0.0139    0.0002    0.0048   -0.0024   -0.0050
            Y     0.0024    0.0011    0.0159   -0.0057    0.0114    0.0081
            Z    -0.0012   -0.0045    0.0176   -0.0092    0.0171    0.0032
 AT.  65 O  X     0.0078   -0.0139   -0.0002    0.0048    0.0024    0.0050
            Y     0.0024   -0.0011    0.0159    0.0057    0.0114    0.0081
            Z     0.0012   -0.0045   -0.0176   -0.0092   -0.0171   -0.0032
 AT.  66 O  X     0.0078    0.0139    0.0002    0.0048    0.0024   -0.0050
            Y     0.0024    0.0011   -0.0159    0.0057    0.0114   -0.0081
            Z    -0.0012   -0.0045   -0.0176    0.0092    0.0171   -0.0032
 AT.  67 O  X     0.0078    0.0139    0.0002    0.0048   -0.0024    0.0050
            Y    -0.0024   -0.0011    0.0159   -0.0057    0.0114   -0.0081
            Z    -0.0012   -0.0045   -0.0176    0.0092   -0.0171    0.0032
 AT.  68 O  X     0.0078   -0.0139   -0.0002    0.0048   -0.0024   -0.0050
            Y    -0.0024    0.0011   -0.0159   -0.0057    0.0114    0.0081
            Z     0.0012   -0.0045   -0.0176   -0.0092    0.0171    0.0032
 AT.  69 O  X    -0.0046   -0.0090   -0.0007   -0.0148    0.0031   -0.0189
            Y    -0.0023    0.0023   -0.0031   -0.0138   -0.0084    0.0021
            Z     0.0008   -0.0049    0.0177   -0.0101   -0.0158   -0.0053
 AT.  70 O  X    -0.0046    0.0090    0.0007   -0.0148    0.0031    0.0189
            Y    -0.0023   -0.0023    0.0031   -0.0138   -0.0084   -0.0021
            Z    -0.0008   -0.0049    0.0177    0.0101    0.0158   -0.0053
 AT.  71 O  X    -0.0046    0.0090    0.0007   -0.0148   -0.0031   -0.0189
            Y     0.0023    0.0023   -0.0031    0.0138   -0.0084   -0.0021
            Z    -0.0008   -0.0049    0.0177    0.0101   -0.0158    0.0053
 AT.  72 O  X    -0.0046   -0.0090   -0.0007   -0.0148   -0.0031    0.0189
            Y     0.0023   -0.0023    0.0031    0.0138   -0.0084    0.0021
            Z     0.0008   -0.0049    0.0177   -0.0101    0.0158    0.0053
 AT.  73 O  X     0.0046   -0.0090    0.0007   -0.0148    0.0031   -0.0189
            Y     0.0023    0.0023    0.0031   -0.0138   -0.0084    0.0021
            Z    -0.0008   -0.0049   -0.0177   -0.0101   -0.0158   -0.0053
 AT.  74 O  X     0.0046    0.0090   -0.0007   -0.0148    0.0031    0.0189
            Y     0.0023   -0.0023   -0.0031   -0.0138   -0.0084   -0.0021
            Z     0.0008   -0.0049   -0.0177    0.0101    0.0158   -0.0053
 AT.  75 O  X     0.0046    0.0090   -0.0007   -0.0148   -0.0031   -0.0189
            Y    -0.0023    0.0023    0.0031    0.0138   -0.0084   -0.0021
            Z     0.0008   -0.0049   -0.0177    0.0101   -0.0158    0.0053
 AT.  76 O  X     0.0046   -0.0090    0.0007   -0.0148   -0.0031    0.0189
            Y    -0.0023   -0.0023   -0.0031    0.0138   -0.0084    0.0021
            Z    -0.0008   -0.0049   -0.0177   -0.0101    0.0158    0.0053
 AT.  77 O  X    -0.0040   -0.0110   -0.0018   -0.0049    0.0038   -0.0083
            Y    -0.0017    0.0015   -0.0144   -0.0043    0.0006    0.0050
            Z     0.0003   -0.0040    0.0090   -0.0121   -0.0047   -0.0133
 AT.  78 O  X    -0.0040    0.0110    0.0018   -0.0049    0.0038    0.0083
            Y    -0.0017   -0.0015    0.0144   -0.0043    0.0006   -0.0050
            Z    -0.0003   -0.0040    0.0090    0.0121    0.0047   -0.0133
 AT.  79 O  X    -0.0040    0.0110    0.0018   -0.0049   -0.0038   -0.0083
            Y     0.0017    0.0015   -0.0144    0.0043    0.0006   -0.0050
            Z    -0.0003   -0.0040    0.0090    0.0121   -0.0047    0.0133
 AT.  80 O  X    -0.0040   -0.0110   -0.0018   -0.0049   -0.0038    0.0083
            Y     0.0017   -0.0015    0.0144    0.0043    0.0006    0.0050
            Z     0.0003   -0.0040    0.0090   -0.0121    0.0047    0.0133
 AT.  81 O  X     0.0040   -0.0110    0.0018   -0.0049    0.0038   -0.0083
            Y     0.0017    0.0015    0.0144   -0.0043    0.0006    0.0050
            Z    -0.0003   -0.0040   -0.0090   -0.0121   -0.0047   -0.0133
 AT.  82 O  X     0.0040    0.0110   -0.0018   -0.0049    0.0038    0.0083
            Y     0.0017   -0.0015   -0.0144   -0.0043    0.0006   -0.0050
            Z     0.0003   -0.0040   -0.0090    0.0121    0.0047   -0.0133
 AT.  83 O  X     0.0040    0.0110   -0.0018   -0.0049   -0.0038   -0.0083
            Y    -0.0017    0.0015    0.0144    0.0043    0.0006   -0.0050
            Z     0.0003   -0.0040   -0.0090    0.0121   -0.0047    0.0133
 AT.  84 O  X     0.0040   -0.0110    0.0018   -0.0049   -0.0038    0.0083
            Y    -0.0017   -0.0015   -0.0144    0.0043    0.0006    0.0050
            Z    -0.0003   -0.0040   -0.0090   -0.0121    0.0047    0.0133
 AT.  85 O  X     0.0132    0.0180   -0.0055    0.0106    0.0014    0.0177
            Y    -0.0059   -0.0020    0.0119   -0.0039   -0.0026    0.0065
            Z     0.0015   -0.0009    0.0011   -0.0108   -0.0024   -0.0057
 AT.  86 O  X     0.0132   -0.0180    0.0055    0.0106    0.0014   -0.0177
            Y    -0.0059    0.0020   -0.0119   -0.0039   -0.0026   -0.0065
            Z    -0.0015   -0.0009    0.0011    0.0108    0.0024   -0.0057
 AT.  87 O  X     0.0132   -0.0180    0.0055    0.0106   -0.0014    0.0177
            Y     0.0059   -0.0020    0.0119    0.0039   -0.0026   -0.0065
            Z    -0.0015   -0.0009    0.0011    0.0108   -0.0024    0.0057
 AT.  88 O  X     0.0132    0.0180   -0.0055    0.0106   -0.0014   -0.0177
            Y     0.0059    0.0020   -0.0119    0.0039   -0.0026    0.0065
            Z     0.0015   -0.0009    0.0011   -0.0108    0.0024    0.0057
 AT.  89 O  X    -0.0132    0.0180    0.0055    0.0106    0.0014    0.0177
            Y     0.0059   -0.0020   -0.0119   -0.0039   -0.0026    0.0065
            Z    -0.0015   -0.0009   -0.0011   -0.0108   -0.0024   -0.0057
 AT.  90 O  X    -0.0132   -0.0180   -0.0055    0.0106    0.0014   -0.0177
            Y     0.0059    0.0020    0.0119   -0.0039   -0.0026   -0.0065
            Z     0.0015   -0.0009   -0.0011    0.0108    0.0024   -0.0057
 AT.  91 O  X    -0.0132   -0.0180   -0.0055    0.0106   -0.0014    0.0177
            Y    -0.0059   -0.0020   -0.0119    0.0039   -0.0026   -0.0065
            Z     0.0015   -0.0009   -0.0011    0.0108   -0.0024    0.0057
 AT.  92 O  X    -0.0132    0.0180    0.0055    0.0106   -0.0014   -0.0177
            Y    -0.0059    0.0020    0.0119    0.0039   -0.0026    0.0065
            Z    -0.0015   -0.0009   -0.0011   -0.0108    0.0024    0.0057
 AT.  93 O  X    -0.0084   -0.0022    0.0039    0.0028   -0.0088    0.0209
            Y     0.0038    0.0022    0.0068   -0.0107   -0.0023    0.0027
            Z    -0.0085   -0.0040    0.0125   -0.0028    0.0002   -0.0018
 AT.  94 O  X    -0.0084    0.0022   -0.0039    0.0028   -0.0088   -0.0209
            Y     0.0038   -0.0022   -0.0068   -0.0107   -0.0023   -0.0027
            Z     0.0085   -0.0040    0.0125    0.0028   -0.0002   -0.0018
 AT.  95 O  X    -0.0084    0.0022   -0.0039    0.0028    0.0088    0.0209
            Y    -0.0038    0.0022    0.0068    0.0107   -0.0023   -0.0027
            Z     0.0085   -0.0040    0.0125    0.0028    0.0002    0.0018
 AT.  96 O  X    -0.0084   -0.0022    0.0039    0.0028    0.0088   -0.0209
            Y    -0.0038   -0.0022   -0.0068    0.0107   -0.0023    0.0027
            Z    -0.0085   -0.0040    0.0125   -0.0028   -0.0002    0.0018
 AT.  97 O  X     0.0084   -0.0022   -0.0039    0.0028   -0.0088    0.0209
            Y    -0.0038    0.0022   -0.0068   -0.0107   -0.0023    0.0027
            Z     0.0085   -0.0040   -0.0125   -0.0028    0.0002   -0.0018
 AT.  98 O  X     0.0084    0.0022    0.0039    0.0028   -0.0088   -0.0209
            Y    -0.0038   -0.0022    0.0068   -0.0107   -0.0023   -0.0027
            Z    -0.0085   -0.0040   -0.0125    0.0028   -0.0002   -0.0018
 AT.  99 O  X     0.0084    0.0022    0.0039    0.0028    0.0088    0.0209
            Y     0.0038    0.0022   -0.0068    0.0107   -0.0023   -0.0027
            Z    -0.0085   -0.0040   -0.0125    0.0028    0.0002    0.0018
 AT. 100 O  X     0.0084   -0.0022   -0.0039    0.0028    0.0088   -0.0209
            Y     0.0038   -0.0022    0.0068    0.0107   -0.0023    0.0027
            Z     0.0085   -0.0040   -0.0125   -0.0028   -0.0002    0.0018
 AT. 101 O  X     0.0217    0.0245    0.0060    0.0018    0.0020    0.0084
            Y     0.0112    0.0014    0.0086   -0.0190   -0.0077    0.0074
            Z     0.0012   -0.0018    0.0004   -0.0122    0.0008    0.0029
 AT. 102 O  X     0.0217   -0.0245   -0.0060    0.0018    0.0020   -0.0084
            Y     0.0112   -0.0014   -0.0086   -0.0190   -0.0077   -0.0074
            Z    -0.0012   -0.0018    0.0004    0.0122   -0.0008    0.0029
 AT. 103 O  X     0.0217   -0.0245   -0.0060    0.0018   -0.0020    0.0084
            Y    -0.0112    0.0014    0.0086    0.0190   -0.0077   -0.0074
            Z    -0.0012   -0.0018    0.0004    0.0122    0.0008   -0.0029
 AT. 104 O  X     0.0217    0.0245    0.0060    0.0018   -0.0020   -0.0084
            Y    -0.0112   -0.0014   -0.0086    0.0190   -0.0077    0.0074
            Z     0.0012   -0.0018    0.0004   -0.0122   -0.0008   -0.0029
 AT. 105 O  X    -0.0217    0.0245   -0.0060    0.0018    0.0020    0.0084
            Y    -0.0112    0.0014   -0.0086   -0.0190   -0.0077    0.0074
            Z    -0.0012   -0.0018   -0.0004   -0.0122    0.0008    0.0029
 AT. 106 O  X    -0.0217   -0.0245    0.0060    0.0018    0.0020   -0.0084
            Y    -0.0112   -0.0014    0.0086   -0.0190   -0.0077   -0.0074
            Z     0.0012   -0.0018   -0.0004    0.0122   -0.0008    0.0029
 AT. 107 O  X    -0.0217   -0.0245    0.0060    0.0018   -0.0020    0.0084
            Y     0.0112    0.0014   -0.0086    0.0190   -0.0077   -0.0074
            Z     0.0012   -0.0018   -0.0004    0.0122    0.0008   -0.0029
 AT. 108 O  X    -0.0217    0.0245   -0.0060    0.0018   -0.0020   -0.0084
            Y     0.0112   -0.0014    0.0086    0.0190   -0.0077    0.0074
            Z    -0.0012   -0.0018   -0.0004   -0.0122   -0.0008   -0.0029
 AT. 109 O  X     0.0088    0.0142    0.0004    0.0056   -0.0006    0.0178
            Y    -0.0106   -0.0112    0.0069   -0.0080   -0.0055    0.0068
            Z    -0.0014   -0.0049    0.0108   -0.0144    0.0003   -0.0143
 AT. 110 O  X     0.0088   -0.0142   -0.0004    0.0056   -0.0006   -0.0178
            Y    -0.0106    0.0112   -0.0069   -0.0080   -0.0055   -0.0068
            Z     0.0014   -0.0049    0.0108    0.0144   -0.0003   -0.0143
 AT. 111 O  X     0.0088   -0.0142   -0.0004    0.0056    0.0006    0.0178
            Y     0.0106   -0.0112    0.0069    0.0080   -0.0055   -0.0068
            Z     0.0014   -0.0049    0.0108    0.0144    0.0003    0.0143
 AT. 112 O  X     0.0088    0.0142    0.0004    0.0056    0.0006   -0.0178
            Y     0.0106    0.0112   -0.0069    0.0080   -0.0055    0.0068
            Z    -0.0014   -0.0049    0.0108   -0.0144   -0.0003    0.0143
 AT. 113 O  X    -0.0088    0.0142   -0.0004    0.0056   -0.0006    0.0178
            Y     0.0106   -0.0112   -0.0069   -0.0080   -0.0055    0.0068
            Z     0.0014   -0.0049   -0.0108   -0.0144    0.0003   -0.0143
 AT. 114 O  X    -0.0088   -0.0142    0.0004    0.0056   -0.0006   -0.0178
            Y     0.0106    0.0112    0.0069   -0.0080   -0.0055   -0.0068
            Z    -0.0014   -0.0049   -0.0108    0.0144   -0.0003   -0.0143
 AT. 115 O  X    -0.0088   -0.0142    0.0004    0.0056    0.0006    0.0178
            Y    -0.0106   -0.0112   -0.0069    0.0080   -0.0055   -0.0068
            Z    -0.0014   -0.0049   -0.0108    0.0144    0.0003    0.0143
 AT. 116 O  X    -0.0088    0.0142   -0.0004    0.0056    0.0006   -0.0178
            Y    -0.0106    0.0112    0.0069    0.0080   -0.0055    0.0068
            Z     0.0014   -0.0049   -0.0108   -0.0144   -0.0003    0.0143
 AT. 117 O  X     0.0412    0.0293    0.0088   -0.0113    0.0142    0.0146
            Y    -0.0033   -0.0025    0.0083   -0.0091   -0.0080    0.0091
            Z    -0.0071    0.0029   -0.0292    0.0275   -0.0169   -0.0118
 AT. 118 O  X     0.0412   -0.0293   -0.0088   -0.0113    0.0142   -0.0146
            Y    -0.0033    0.0025   -0.0083   -0.0091   -0.0080   -0.0091
            Z     0.0071    0.0029   -0.0292   -0.0275    0.0169   -0.0118
 AT. 119 O  X     0.0412   -0.0293   -0.0088   -0.0113   -0.0142    0.0146
            Y     0.0033   -0.0025    0.0083    0.0091   -0.0080   -0.0091
            Z     0.0071    0.0029   -0.0292   -0.0275   -0.0169    0.0118
 AT. 120 O  X     0.0412    0.0293    0.0088   -0.0113   -0.0142   -0.0146
            Y     0.0033    0.0025   -0.0083    0.0091   -0.0080    0.0091
            Z    -0.0071    0.0029   -0.0292    0.0275    0.0169    0.0118
 AT. 121 O  X    -0.0412    0.0293   -0.0088   -0.0113    0.0142    0.0146
            Y     0.0033   -0.0025   -0.0083   -0.0091   -0.0080    0.0091
            Z     0.0071    0.0029    0.0292    0.0275   -0.0169   -0.0118
 AT. 122 O  X    -0.0412   -0.0293    0.0088   -0.0113    0.0142   -0.0146
            Y     0.0033    0.0025    0.0083   -0.0091   -0.0080   -0.0091
            Z    -0.0071    0.0029    0.0292   -0.0275    0.0169   -0.0118
 AT. 123 O  X    -0.0412   -0.0293    0.0088   -0.0113   -0.0142    0.0146
            Y    -0.0033   -0.0025   -0.0083    0.0091   -0.0080   -0.0091
            Z    -0.0071    0.0029    0.0292   -0.0275   -0.0169    0.0118
 AT. 124 O  X    -0.0412    0.0293   -0.0088   -0.0113   -0.0142   -0.0146
            Y    -0.0033    0.0025    0.0083    0.0091   -0.0080    0.0091
            Z     0.0071    0.0029    0.0292    0.0275    0.0169    0.0118

 FREQ(CM**-1)    143.81    144.61    144.93    145.94    147.02    148.79

 AT.   1 SI X     0.0198    0.0136   -0.0051   -0.0155   -0.0021    0.0044
            Y    -0.0024   -0.0100    0.0002   -0.0081    0.0023    0.0043
            Z     0.0007    0.0025   -0.0021    0.0028   -0.0158    0.0080
 AT.   2 SI X    -0.0198    0.0136    0.0051   -0.0155   -0.0021    0.0044
            Y     0.0024   -0.0100   -0.0002   -0.0081    0.0023    0.0043
            Z     0.0007   -0.0025   -0.0021   -0.0028    0.0158   -0.0080
 AT.   3 SI X     0.0198    0.0136    0.0051   -0.0155    0.0021    0.0044
            Y     0.0024    0.0100    0.0002    0.0081    0.0023   -0.0043
            Z    -0.0007   -0.0025   -0.0021   -0.0028   -0.0158   -0.0080
 AT.   4 SI X    -0.0198    0.0136   -0.0051   -0.0155    0.0021    0.0044
            Y    -0.0024    0.0100   -0.0002    0.0081    0.0023   -0.0043
            Z    -0.0007    0.0025   -0.0021    0.0028    0.0158    0.0080
 AT.   5 SI X    -0.0198   -0.0136   -0.0051    0.0155    0.0021    0.0044
            Y     0.0024    0.0100    0.0002    0.0081   -0.0023    0.0043
            Z    -0.0007   -0.0025   -0.0021   -0.0028    0.0158    0.0080
 AT.   6 SI X     0.0198   -0.0136    0.0051    0.0155    0.0021    0.0044
            Y    -0.0024    0.0100   -0.0002    0.0081   -0.0023    0.0043
            Z    -0.0007    0.0025   -0.0021    0.0028   -0.0158   -0.0080
 AT.   7 SI X    -0.0198   -0.0136    0.0051    0.0155   -0.0021    0.0044
            Y    -0.0024   -0.0100    0.0002   -0.0081   -0.0023   -0.0043
            Z     0.0007    0.0025   -0.0021    0.0028    0.0158   -0.0080
 AT.   8 SI X     0.0198   -0.0136   -0.0051    0.0155   -0.0021    0.0044
            Y     0.0024   -0.0100   -0.0002   -0.0081   -0.0023   -0.0043
            Z     0.0007   -0.0025   -0.0021   -0.0028   -0.0158    0.0080
 AT.   9 SI X     0.0116   -0.0066    0.0087   -0.0117    0.0033   -0.0065
            Y     0.0027    0.0001   -0.0029    0.0021    0.0031    0.0040
            Z     0.0056    0.0023   -0.0065    0.0061    0.0102    0.0000
 AT.  10 SI X    -0.0116   -0.0066   -0.0087   -0.0117    0.0033   -0.0065
            Y    -0.0027    0.0001    0.0029    0.0021    0.0031    0.0040
            Z     0.0056   -0.0023   -0.0065   -0.0061   -0.0102    0.0000
 AT.  11 SI X     0.0116   -0.0066   -0.0087   -0.0117   -0.0033   -0.0065
            Y    -0.0027   -0.0001   -0.0029   -0.0021    0.0031   -0.0040
            Z    -0.0056   -0.0023   -0.0065   -0.0061    0.0102    0.0000
 AT.  12 SI X    -0.0116   -0.0066    0.0087   -0.0117   -0.0033   -0.0065
            Y     0.0027   -0.0001    0.0029   -0.0021    0.0031   -0.0040
            Z    -0.0056    0.0023   -0.0065    0.0061   -0.0102    0.0000
 AT.  13 SI X    -0.0116    0.0066    0.0087    0.0117   -0.0033   -0.0065
            Y    -0.0027   -0.0001   -0.0029   -0.0021   -0.0031    0.0040
            Z    -0.0056   -0.0023   -0.0065   -0.0061   -0.0102    0.0000
 AT.  14 SI X     0.0116    0.0066   -0.0087    0.0117   -0.0033   -0.0065
            Y     0.0027   -0.0001    0.0029   -0.0021   -0.0031    0.0040
            Z    -0.0056    0.0023   -0.0065    0.0061    0.0102    0.0000
 AT.  15 SI X    -0.0116    0.0066   -0.0087    0.0117    0.0033   -0.0065
            Y     0.0027    0.0001   -0.0029    0.0021   -0.0031   -0.0040
            Z     0.0056    0.0023   -0.0065    0.0061   -0.0102    0.0000
 AT.  16 SI X     0.0116    0.0066    0.0087    0.0117    0.0033   -0.0065
            Y    -0.0027    0.0001    0.0029    0.0021   -0.0031   -0.0040
            Z     0.0056   -0.0023   -0.0065   -0.0061    0.0102    0.0000
 AT.  17 SI X     0.0000    0.0110   -0.0165    0.0031    0.0000   -0.0074
            Y     0.0026    0.0000    0.0000    0.0000   -0.0105    0.0000
            Z     0.0000   -0.0008   -0.0082    0.0025    0.0000   -0.0053
 AT.  18 SI X     0.0000    0.0110    0.0165    0.0031    0.0000   -0.0074
            Y    -0.0026    0.0000    0.0000    0.0000   -0.0105    0.0000
            Z     0.0000    0.0008   -0.0082   -0.0025    0.0000    0.0053
 AT.  19 SI X     0.0000   -0.0110   -0.0165   -0.0031    0.0000   -0.0074
            Y    -0.0026    0.0000    0.0000    0.0000    0.0105    0.0000
            Z     0.0000    0.0008   -0.0082   -0.0025    0.0000   -0.0053
 AT.  20 SI X     0.0000   -0.0110    0.0165   -0.0031    0.0000   -0.0074
            Y     0.0026    0.0000    0.0000    0.0000    0.0105    0.0000
            Z     0.0000   -0.0008   -0.0082    0.0025    0.0000    0.0053
 AT.  21 CA X    -0.0156   -0.0220    0.0032    0.0137   -0.0041    0.0034
            Y    -0.0066   -0.0108    0.0007   -0.0048   -0.0020   -0.0050
            Z     0.0074    0.0015   -0.0035   -0.0025    0.0240    0.0024
 AT.  22 CA X     0.0156   -0.0220   -0.0032    0.0137   -0.0041    0.0034
            Y     0.0066   -0.0108   -0.0007   -0.0048   -0.0020   -0.0050
            Z     0.0074   -0.0015   -0.0035    0.0025   -0.0240   -0.0024
 AT.  23 CA X    -0.0156   -0.0220   -0.0032    0.0137    0.0041    0.0034
            Y     0.0066    0.0108    0.0007    0.0048   -0.0020    0.0050
            Z    -0.0074   -0.0015   -0.0035    0.0025    0.0240   -0.0024
 AT.  24 CA X     0.0156   -0.0220    0.0032    0.0137    0.0041    0.0034
            Y    -0.0066    0.0108   -0.0007    0.0048   -0.0020    0.0050
            Z    -0.0074    0.0015   -0.0035   -0.0025   -0.0240    0.0024
 AT.  25 CA X     0.0156    0.0220    0.0032   -0.0137    0.0041    0.0034
            Y     0.0066    0.0108    0.0007    0.0048    0.0020   -0.0050
            Z    -0.0074   -0.0015   -0.0035    0.0025   -0.0240    0.0024
 AT.  26 CA X    -0.0156    0.0220   -0.0032   -0.0137    0.0041    0.0034
            Y    -0.0066    0.0108   -0.0007    0.0048    0.0020   -0.0050
            Z    -0.0074    0.0015   -0.0035   -0.0025    0.0240   -0.0024
 AT.  27 CA X     0.0156    0.0220   -0.0032   -0.0137   -0.0041    0.0034
            Y    -0.0066   -0.0108    0.0007   -0.0048    0.0020    0.0050
            Z     0.0074    0.0015   -0.0035   -0.0025   -0.0240   -0.0024
 AT.  28 CA X    -0.0156    0.0220    0.0032   -0.0137   -0.0041    0.0034
            Y     0.0066   -0.0108   -0.0007   -0.0048    0.0020    0.0050
            Z     0.0074   -0.0015   -0.0035    0.0025    0.0240    0.0024
 AT.  29 CA X     0.0000    0.0000   -0.0147    0.0000    0.0000    0.0113
            Y     0.0000    0.0000   -0.0100    0.0000    0.0000    0.0012
            Z     0.0000    0.0000    0.0177    0.0000    0.0000    0.0071
 AT.  30 CA X     0.0000    0.0000    0.0147    0.0000    0.0000    0.0113
            Y     0.0000    0.0000    0.0100    0.0000    0.0000    0.0012
            Z     0.0000    0.0000    0.0177    0.0000    0.0000   -0.0071
 AT.  31 CA X     0.0000    0.0000    0.0147    0.0000    0.0000    0.0113
            Y     0.0000    0.0000   -0.0100    0.0000    0.0000   -0.0012
            Z     0.0000    0.0000    0.0177    0.0000    0.0000   -0.0071
 AT.  32 CA X     0.0000    0.0000   -0.0147    0.0000    0.0000    0.0113
            Y     0.0000    0.0000    0.0100    0.0000    0.0000   -0.0012
            Z     0.0000    0.0000    0.0177    0.0000    0.0000    0.0071
 AT.  33 CA X     0.0246    0.0037    0.0110   -0.0226   -0.0014   -0.0089
            Y    -0.0007   -0.0009    0.0064   -0.0078   -0.0073    0.0089
            Z     0.0088    0.0025    0.0146   -0.0057   -0.0113   -0.0027
 AT.  34 CA X    -0.0246    0.0037   -0.0110   -0.0226   -0.0014   -0.0089
            Y     0.0007   -0.0009   -0.0064   -0.0078   -0.0073    0.0089
            Z     0.0088   -0.0025    0.0146    0.0057    0.0113    0.0027
 AT.  35 CA X     0.0246    0.0037   -0.0110   -0.0226    0.0014   -0.0089
            Y     0.0007    0.0009    0.0064    0.0078   -0.0073   -0.0089
            Z    -0.0088   -0.0025    0.0146    0.0057   -0.0113    0.0027
 AT.  36 CA X    -0.0246    0.0037    0.0110   -0.0226    0.0014   -0.0089
            Y    -0.0007    0.0009   -0.0064    0.0078   -0.0073   -0.0089
            Z    -0.0088    0.0025    0.0146   -0.0057    0.0113   -0.0027
 AT.  37 CA X    -0.0246   -0.0037    0.0110    0.0226    0.0014   -0.0089
            Y     0.0007    0.0009    0.0064    0.0078    0.0073    0.0089
            Z    -0.0088   -0.0025    0.0146    0.0057    0.0113   -0.0027
 AT.  38 CA X     0.0246   -0.0037   -0.0110    0.0226    0.0014   -0.0089
            Y    -0.0007    0.0009   -0.0064    0.0078    0.0073    0.0089
            Z    -0.0088    0.0025    0.0146   -0.0057   -0.0113    0.0027
 AT.  39 CA X    -0.0246   -0.0037   -0.0110    0.0226   -0.0014   -0.0089
            Y    -0.0007   -0.0009    0.0064   -0.0078    0.0073   -0.0089
            Z     0.0088    0.0025    0.0146   -0.0057    0.0113    0.0027
 AT.  40 CA X     0.0246   -0.0037    0.0110    0.0226   -0.0014   -0.0089
            Y     0.0007   -0.0009   -0.0064   -0.0078    0.0073   -0.0089
            Z     0.0088   -0.0025    0.0146    0.0057   -0.0113   -0.0027
 AT.  41 CA X     0.0092    0.0075    0.0051   -0.0027   -0.0034   -0.0099
            Y    -0.0021   -0.0019   -0.0002    0.0020    0.0002    0.0111
            Z     0.0110    0.0113   -0.0157   -0.0049   -0.0236    0.0002
 AT.  42 CA X    -0.0092    0.0075   -0.0051   -0.0027   -0.0034   -0.0099
            Y     0.0021   -0.0019    0.0002    0.0020    0.0002    0.0111
            Z     0.0110   -0.0113   -0.0157    0.0049    0.0236   -0.0002
 AT.  43 CA X     0.0092    0.0075   -0.0051   -0.0027    0.0034   -0.0099
            Y     0.0021    0.0019   -0.0002   -0.0020    0.0002   -0.0111
            Z    -0.0110   -0.0113   -0.0157    0.0049   -0.0236   -0.0002
 AT.  44 CA X    -0.0092    0.0075    0.0051   -0.0027    0.0034   -0.0099
            Y    -0.0021    0.0019    0.0002   -0.0020    0.0002   -0.0111
            Z    -0.0110    0.0113   -0.0157   -0.0049    0.0236    0.0002
 AT.  45 CA X    -0.0092   -0.0075    0.0051    0.0027    0.0034   -0.0099
            Y     0.0021    0.0019   -0.0002   -0.0020   -0.0002    0.0111
            Z    -0.0110   -0.0113   -0.0157    0.0049    0.0236    0.0002
 AT.  46 CA X     0.0092   -0.0075   -0.0051    0.0027    0.0034   -0.0099
            Y    -0.0021    0.0019    0.0002   -0.0020   -0.0002    0.0111
            Z    -0.0110    0.0113   -0.0157   -0.0049   -0.0236   -0.0002
 AT.  47 CA X    -0.0092   -0.0075   -0.0051    0.0027   -0.0034   -0.0099
            Y    -0.0021   -0.0019   -0.0002    0.0020   -0.0002   -0.0111
            Z     0.0110    0.0113   -0.0157   -0.0049    0.0236   -0.0002
 AT.  48 CA X     0.0092   -0.0075    0.0051    0.0027   -0.0034   -0.0099
            Y     0.0021   -0.0019    0.0002    0.0020   -0.0002   -0.0111
            Z     0.0110   -0.0113   -0.0157    0.0049   -0.0236    0.0002
 AT.  49 CA X     0.0000    0.0056   -0.0004    0.0287    0.0000    0.0441
            Y     0.0046    0.0000    0.0000    0.0000    0.0245    0.0000
            Z     0.0000   -0.0149    0.0213   -0.0114    0.0000   -0.0321
 AT.  50 CA X     0.0000    0.0056    0.0004    0.0287    0.0000    0.0441
            Y    -0.0046    0.0000    0.0000    0.0000    0.0245    0.0000
            Z     0.0000    0.0149    0.0213    0.0114    0.0000    0.0321
 AT.  51 CA X     0.0000   -0.0056   -0.0004   -0.0287    0.0000    0.0441
            Y    -0.0046    0.0000    0.0000    0.0000   -0.0245    0.0000
            Z     0.0000    0.0149    0.0213    0.0114    0.0000   -0.0321
 AT.  52 CA X     0.0000   -0.0056    0.0004   -0.0287    0.0000    0.0441
            Y     0.0046    0.0000    0.0000    0.0000   -0.0245    0.0000
            Z     0.0000   -0.0149    0.0213   -0.0114    0.0000    0.0321
 AT.  53 O  X     0.0118    0.0027   -0.0017   -0.0111    0.0008    0.0075
            Y     0.0008   -0.0054   -0.0007   -0.0101    0.0009    0.0027
            Z    -0.0003    0.0022    0.0042    0.0019   -0.0064    0.0101
 AT.  54 O  X    -0.0118    0.0027    0.0017   -0.0111    0.0008    0.0075
            Y    -0.0008   -0.0054    0.0007   -0.0101    0.0009    0.0027
            Z    -0.0003   -0.0022    0.0042   -0.0019    0.0064   -0.0101
 AT.  55 O  X     0.0118    0.0027    0.0017   -0.0111   -0.0008    0.0075
            Y    -0.0008    0.0054   -0.0007    0.0101    0.0009   -0.0027
            Z     0.0003   -0.0022    0.0042   -0.0019   -0.0064   -0.0101
 AT.  56 O  X    -0.0118    0.0027   -0.0017   -0.0111   -0.0008    0.0075
            Y     0.0008    0.0054    0.0007    0.0101    0.0009   -0.0027
            Z     0.0003    0.0022    0.0042    0.0019    0.0064    0.0101
 AT.  57 O  X    -0.0118   -0.0027   -0.0017    0.0111   -0.0008    0.0075
            Y    -0.0008    0.0054   -0.0007    0.0101   -0.0009    0.0027
            Z     0.0003   -0.0022    0.0042   -0.0019    0.0064    0.0101
 AT.  58 O  X     0.0118   -0.0027    0.0017    0.0111   -0.0008    0.0075
            Y     0.0008    0.0054    0.0007    0.0101   -0.0009    0.0027
            Z     0.0003    0.0022    0.0042    0.0019   -0.0064   -0.0101
 AT.  59 O  X    -0.0118   -0.0027    0.0017    0.0111    0.0008    0.0075
            Y     0.0008   -0.0054   -0.0007   -0.0101   -0.0009   -0.0027
            Z    -0.0003    0.0022    0.0042    0.0019    0.0064   -0.0101
 AT.  60 O  X     0.0118   -0.0027   -0.0017    0.0111    0.0008    0.0075
            Y    -0.0008   -0.0054    0.0007   -0.0101   -0.0009   -0.0027
            Z    -0.0003   -0.0022    0.0042   -0.0019   -0.0064    0.0101
 AT.  61 O  X     0.0234    0.0186   -0.0078   -0.0171   -0.0080   -0.0030
            Y    -0.0032   -0.0077    0.0031   -0.0066    0.0026    0.0058
            Z     0.0045    0.0037   -0.0046    0.0000   -0.0192    0.0026
 AT.  62 O  X    -0.0234    0.0186    0.0078   -0.0171   -0.0080   -0.0030
            Y     0.0032   -0.0077   -0.0031   -0.0066    0.0026    0.0058
            Z     0.0045   -0.0037   -0.0046    0.0000    0.0192   -0.0026
 AT.  63 O  X     0.0234    0.0186    0.0078   -0.0171    0.0080   -0.0030
            Y     0.0032    0.0077    0.0031    0.0066    0.0026   -0.0058
            Z    -0.0045   -0.0037   -0.0046    0.0000   -0.0192   -0.0026
 AT.  64 O  X    -0.0234    0.0186   -0.0078   -0.0171    0.0080   -0.0030
            Y    -0.0032    0.0077   -0.0031    0.0066    0.0026   -0.0058
            Z    -0.0045    0.0037   -0.0046    0.0000    0.0192    0.0026
 AT.  65 O  X    -0.0234   -0.0186   -0.0078    0.0171    0.0080   -0.0030
            Y     0.0032    0.0077    0.0031    0.0066   -0.0026    0.0058
            Z    -0.0045   -0.0037   -0.0046    0.0000    0.0192    0.0026
 AT.  66 O  X     0.0234   -0.0186    0.0078    0.0171    0.0080   -0.0030
            Y    -0.0032    0.0077   -0.0031    0.0066   -0.0026    0.0058
            Z    -0.0045    0.0037   -0.0046    0.0000   -0.0192   -0.0026
 AT.  67 O  X    -0.0234   -0.0186    0.0078    0.0171   -0.0080   -0.0030
            Y    -0.0032   -0.0077    0.0031   -0.0066   -0.0026   -0.0058
            Z     0.0045    0.0037   -0.0046    0.0000    0.0192   -0.0026
 AT.  68 O  X     0.0234   -0.0186   -0.0078    0.0171   -0.0080   -0.0030
            Y     0.0032   -0.0077   -0.0031   -0.0066   -0.0026   -0.0058
            Z     0.0045   -0.0037   -0.0046    0.0000   -0.0192    0.0026
 AT.  69 O  X     0.0221    0.0193   -0.0044   -0.0141    0.0010    0.0069
            Y     0.0007   -0.0050   -0.0049   -0.0068   -0.0024    0.0013
            Z     0.0018    0.0019   -0.0043    0.0014   -0.0198    0.0053
 AT.  70 O  X    -0.0221    0.0193    0.0044   -0.0141    0.0010    0.0069
            Y    -0.0007   -0.0050    0.0049   -0.0068   -0.0024    0.0013
            Z     0.0018   -0.0019   -0.0043   -0.0014    0.0198   -0.0053
 AT.  71 O  X     0.0221    0.0193    0.0044   -0.0141   -0.0010    0.0069
            Y    -0.0007    0.0050   -0.0049    0.0068   -0.0024   -0.0013
            Z    -0.0018   -0.0019   -0.0043   -0.0014   -0.0198   -0.0053
 AT.  72 O  X    -0.0221    0.0193   -0.0044   -0.0141   -0.0010    0.0069
            Y     0.0007    0.0050    0.0049    0.0068   -0.0024   -0.0013
            Z    -0.0018    0.0019   -0.0043    0.0014    0.0198    0.0053
 AT.  73 O  X    -0.0221   -0.0193   -0.0044    0.0141   -0.0010    0.0069
            Y    -0.0007    0.0050   -0.0049    0.0068    0.0024    0.0013
            Z    -0.0018   -0.0019   -0.0043   -0.0014    0.0198    0.0053
 AT.  74 O  X     0.0221   -0.0193    0.0044    0.0141   -0.0010    0.0069
            Y     0.0007    0.0050    0.0049    0.0068    0.0024    0.0013
            Z    -0.0018    0.0019   -0.0043    0.0014   -0.0198   -0.0053
 AT.  75 O  X    -0.0221   -0.0193    0.0044    0.0141    0.0010    0.0069
            Y     0.0007   -0.0050   -0.0049   -0.0068    0.0024   -0.0013
            Z     0.0018    0.0019   -0.0043    0.0014    0.0198   -0.0053
 AT.  76 O  X     0.0221   -0.0193   -0.0044    0.0141    0.0010    0.0069
            Y    -0.0007   -0.0050    0.0049   -0.0068    0.0024   -0.0013
            Z     0.0018   -0.0019   -0.0043   -0.0014   -0.0198    0.0053
 AT.  77 O  X     0.0199    0.0137   -0.0054   -0.0154   -0.0024    0.0043
            Y    -0.0050   -0.0134    0.0037   -0.0058    0.0038    0.0069
            Z     0.0047    0.0011    0.0073   -0.0004   -0.0083    0.0075
 AT.  78 O  X    -0.0199    0.0137    0.0054   -0.0154   -0.0024    0.0043
            Y     0.0050   -0.0134   -0.0037   -0.0058    0.0038    0.0069
            Z     0.0047   -0.0011    0.0073    0.0004    0.0083   -0.0075
 AT.  79 O  X     0.0199    0.0137    0.0054   -0.0154    0.0024    0.0043
            Y     0.0050    0.0134    0.0037    0.0058    0.0038   -0.0069
            Z    -0.0047   -0.0011    0.0073    0.0004   -0.0083   -0.0075
 AT.  80 O  X    -0.0199    0.0137   -0.0054   -0.0154    0.0024    0.0043
            Y    -0.0050    0.0134   -0.0037    0.0058    0.0038   -0.0069
            Z    -0.0047    0.0011    0.0073   -0.0004    0.0083    0.0075
 AT.  81 O  X    -0.0199   -0.0137   -0.0054    0.0154    0.0024    0.0043
            Y     0.0050    0.0134    0.0037    0.0058   -0.0038    0.0069
            Z    -0.0047   -0.0011    0.0073    0.0004    0.0083    0.0075
 AT.  82 O  X     0.0199   -0.0137    0.0054    0.0154    0.0024    0.0043
            Y    -0.0050    0.0134   -0.0037    0.0058   -0.0038    0.0069
            Z    -0.0047    0.0011    0.0073   -0.0004   -0.0083   -0.0075
 AT.  83 O  X    -0.0199   -0.0137    0.0054    0.0154   -0.0024    0.0043
            Y    -0.0050   -0.0134    0.0037   -0.0058   -0.0038   -0.0069
            Z     0.0047    0.0011    0.0073   -0.0004    0.0083   -0.0075
 AT.  84 O  X     0.0199   -0.0137   -0.0054    0.0154   -0.0024    0.0043
            Y     0.0050   -0.0134   -0.0037   -0.0058   -0.0038   -0.0069
            Z     0.0047   -0.0011    0.0073    0.0004   -0.0083    0.0075
 AT.  85 O  X     0.0073   -0.0148    0.0133   -0.0147    0.0017   -0.0091
            Y     0.0013   -0.0131    0.0107   -0.0050    0.0005   -0.0012
            Z     0.0052    0.0064   -0.0119    0.0067    0.0102    0.0015
 AT.  86 O  X    -0.0073   -0.0148   -0.0133   -0.0147    0.0017   -0.0091
            Y    -0.0013   -0.0131   -0.0107   -0.0050    0.0005   -0.0012
            Z     0.0052   -0.0064   -0.0119   -0.0067   -0.0102   -0.0015
 AT.  87 O  X     0.0073   -0.0148   -0.0133   -0.0147   -0.0017   -0.0091
            Y    -0.0013    0.0131    0.0107    0.0050    0.0005    0.0012
            Z    -0.0052   -0.0064   -0.0119   -0.0067    0.0102   -0.0015
 AT.  88 O  X    -0.0073   -0.0148    0.0133   -0.0147   -0.0017   -0.0091
            Y     0.0013    0.0131   -0.0107    0.0050    0.0005    0.0012
            Z    -0.0052    0.0064   -0.0119    0.0067   -0.0102    0.0015
 AT.  89 O  X    -0.0073    0.0148    0.0133    0.0147   -0.0017   -0.0091
            Y    -0.0013    0.0131    0.0107    0.0050   -0.0005   -0.0012
            Z    -0.0052   -0.0064   -0.0119   -0.0067   -0.0102    0.0015
 AT.  90 O  X     0.0073    0.0148   -0.0133    0.0147   -0.0017   -0.0091
            Y     0.0013    0.0131   -0.0107    0.0050   -0.0005   -0.0012
            Z    -0.0052    0.0064   -0.0119    0.0067    0.0102   -0.0015
 AT.  91 O  X    -0.0073    0.0148   -0.0133    0.0147    0.0017   -0.0091
            Y     0.0013   -0.0131    0.0107   -0.0050   -0.0005    0.0012
            Z     0.0052    0.0064   -0.0119    0.0067   -0.0102   -0.0015
 AT.  92 O  X     0.0073    0.0148    0.0133    0.0147    0.0017   -0.0091
            Y    -0.0013   -0.0131   -0.0107   -0.0050   -0.0005    0.0012
            Z     0.0052   -0.0064   -0.0119   -0.0067    0.0102    0.0015
 AT.  93 O  X     0.0159   -0.0058    0.0083   -0.0136    0.0073   -0.0077
            Y     0.0003    0.0006   -0.0042    0.0040    0.0019    0.0050
            Z     0.0095   -0.0115    0.0117   -0.0090    0.0046   -0.0065
 AT.  94 O  X    -0.0159   -0.0058   -0.0083   -0.0136    0.0073   -0.0077
            Y    -0.0003    0.0006    0.0042    0.0040    0.0019    0.0050
            Z     0.0095    0.0115    0.0117    0.0090   -0.0046    0.0065
 AT.  95 O  X     0.0159   -0.0058   -0.0083   -0.0136   -0.0073   -0.0077
            Y    -0.0003   -0.0006   -0.0042   -0.0040    0.0019   -0.0050
            Z    -0.0095    0.0115    0.0117    0.0090    0.0046    0.0065
 AT.  96 O  X    -0.0159   -0.0058    0.0083   -0.0136   -0.0073   -0.0077
            Y     0.0003   -0.0006    0.0042   -0.0040    0.0019   -0.0050
            Z    -0.0095   -0.0115    0.0117   -0.0090   -0.0046   -0.0065
 AT.  97 O  X    -0.0159    0.0058    0.0083    0.0136   -0.0073   -0.0077
            Y    -0.0003   -0.0006   -0.0042   -0.0040   -0.0019    0.0050
            Z    -0.0095    0.0115    0.0117    0.0090   -0.0046   -0.0065
 AT.  98 O  X     0.0159    0.0058   -0.0083    0.0136   -0.0073   -0.0077
            Y     0.0003   -0.0006    0.0042   -0.0040   -0.0019    0.0050
            Z    -0.0095   -0.0115    0.0117   -0.0090    0.0046    0.0065
 AT.  99 O  X    -0.0159    0.0058   -0.0083    0.0136    0.0073   -0.0077
            Y     0.0003    0.0006   -0.0042    0.0040   -0.0019   -0.0050
            Z     0.0095   -0.0115    0.0117   -0.0090   -0.0046    0.0065
 AT. 100 O  X     0.0159    0.0058    0.0083    0.0136    0.0073   -0.0077
            Y    -0.0003    0.0006    0.0042    0.0040   -0.0019   -0.0050
            Z     0.0095    0.0115    0.0117    0.0090    0.0046   -0.0065
 AT. 101 O  X     0.0073    0.0017   -0.0007   -0.0046    0.0009   -0.0073
            Y     0.0009    0.0183   -0.0221    0.0108   -0.0039    0.0029
            Z     0.0065    0.0107   -0.0159    0.0068    0.0072   -0.0017
 AT. 102 O  X    -0.0073    0.0017    0.0007   -0.0046    0.0009   -0.0073
            Y    -0.0009    0.0183    0.0221    0.0108   -0.0039    0.0029
            Z     0.0065   -0.0107   -0.0159   -0.0068   -0.0072    0.0017
 AT. 103 O  X     0.0073    0.0017    0.0007   -0.0046   -0.0009   -0.0073
            Y    -0.0009   -0.0183   -0.0221   -0.0108   -0.0039   -0.0029
            Z    -0.0065   -0.0107   -0.0159   -0.0068    0.0072    0.0017
 AT. 104 O  X    -0.0073    0.0017   -0.0007   -0.0046   -0.0009   -0.0073
            Y     0.0009   -0.0183    0.0221   -0.0108   -0.0039   -0.0029
            Z    -0.0065    0.0107   -0.0159    0.0068   -0.0072   -0.0017
 AT. 105 O  X    -0.0073   -0.0017   -0.0007    0.0046   -0.0009   -0.0073
            Y    -0.0009   -0.0183   -0.0221   -0.0108    0.0039    0.0029
            Z    -0.0065   -0.0107   -0.0159   -0.0068   -0.0072   -0.0017
 AT. 106 O  X     0.0073   -0.0017    0.0007    0.0046   -0.0009   -0.0073
            Y     0.0009   -0.0183    0.0221   -0.0108    0.0039    0.0029
            Z    -0.0065    0.0107   -0.0159    0.0068    0.0072    0.0017
 AT. 107 O  X    -0.0073   -0.0017    0.0007    0.0046    0.0009   -0.0073
            Y     0.0009    0.0183   -0.0221    0.0108    0.0039   -0.0029
            Z     0.0065    0.0107   -0.0159    0.0068   -0.0072    0.0017
 AT. 108 O  X     0.0073   -0.0017   -0.0007    0.0046    0.0009   -0.0073
            Y    -0.0009    0.0183    0.0221    0.0108    0.0039   -0.0029
            Z     0.0065   -0.0107   -0.0159   -0.0068    0.0072   -0.0017
 AT. 109 O  X     0.0121   -0.0069    0.0094   -0.0128    0.0030   -0.0082
            Y     0.0030    0.0036   -0.0081    0.0061    0.0071    0.0075
            Z     0.0072    0.0142   -0.0122    0.0100    0.0053    0.0092
 AT. 110 O  X    -0.0121   -0.0069   -0.0094   -0.0128    0.0030   -0.0082
            Y    -0.0030    0.0036    0.0081    0.0061    0.0071    0.0075
            Z     0.0072   -0.0142   -0.0122   -0.0100   -0.0053   -0.0092
 AT. 111 O  X     0.0121   -0.0069   -0.0094   -0.0128   -0.0030   -0.0082
            Y    -0.0030   -0.0036   -0.0081   -0.0061    0.0071   -0.0075
            Z    -0.0072   -0.0142   -0.0122   -0.0100    0.0053   -0.0092
 AT. 112 O  X    -0.0121   -0.0069    0.0094   -0.0128   -0.0030   -0.0082
            Y     0.0030   -0.0036    0.0081   -0.0061    0.0071   -0.0075
            Z    -0.0072    0.0142   -0.0122    0.0100   -0.0053    0.0092
 AT. 113 O  X    -0.0121    0.0069    0.0094    0.0128   -0.0030   -0.0082
            Y    -0.0030   -0.0036   -0.0081   -0.0061   -0.0071    0.0075
            Z    -0.0072   -0.0142   -0.0122   -0.0100   -0.0053    0.0092
 AT. 114 O  X     0.0121    0.0069   -0.0094    0.0128   -0.0030   -0.0082
            Y     0.0030   -0.0036    0.0081   -0.0061   -0.0071    0.0075
            Z    -0.0072    0.0142   -0.0122    0.0100    0.0053   -0.0092
 AT. 115 O  X    -0.0121    0.0069   -0.0094    0.0128    0.0030   -0.0082
            Y     0.0030    0.0036   -0.0081    0.0061   -0.0071   -0.0075
            Z     0.0072    0.0142   -0.0122    0.0100   -0.0053   -0.0092
 AT. 116 O  X     0.0121    0.0069    0.0094    0.0128    0.0030   -0.0082
            Y    -0.0030    0.0036    0.0081    0.0061   -0.0071   -0.0075
            Z     0.0072   -0.0142   -0.0122   -0.0100    0.0053    0.0092
 AT. 117 O  X     0.0041    0.0227   -0.0278    0.0038    0.0053   -0.0021
            Y     0.0027    0.0062   -0.0069    0.0074   -0.0138   -0.0077
            Z    -0.0044   -0.0188    0.0099   -0.0066   -0.0014   -0.0015
 AT. 118 O  X    -0.0041    0.0227    0.0278    0.0038    0.0053   -0.0021
            Y    -0.0027    0.0062    0.0069    0.0074   -0.0138   -0.0077
            Z    -0.0044    0.0188    0.0099    0.0066    0.0014    0.0015
 AT. 119 O  X     0.0041    0.0227    0.0278    0.0038   -0.0053   -0.0021
            Y    -0.0027   -0.0062   -0.0069   -0.0074   -0.0138    0.0077
            Z     0.0044    0.0188    0.0099    0.0066   -0.0014    0.0015
 AT. 120 O  X    -0.0041    0.0227   -0.0278    0.0038   -0.0053   -0.0021
            Y     0.0027   -0.0062    0.0069   -0.0074   -0.0138    0.0077
            Z     0.0044   -0.0188    0.0099   -0.0066    0.0014   -0.0015
 AT. 121 O  X    -0.0041   -0.0227   -0.0278   -0.0038   -0.0053   -0.0021
            Y    -0.0027   -0.0062   -0.0069   -0.0074    0.0138   -0.0077
            Z     0.0044    0.0188    0.0099    0.0066    0.0014   -0.0015
 AT. 122 O  X     0.0041   -0.0227    0.0278   -0.0038   -0.0053   -0.0021
            Y     0.0027   -0.0062    0.0069   -0.0074    0.0138   -0.0077
            Z     0.0044   -0.0188    0.0099   -0.0066   -0.0014    0.0015
 AT. 123 O  X    -0.0041   -0.0227    0.0278   -0.0038    0.0053   -0.0021
            Y     0.0027    0.0062   -0.0069    0.0074    0.0138    0.0077
            Z    -0.0044   -0.0188    0.0099   -0.0066    0.0014    0.0015
 AT. 124 O  X     0.0041   -0.0227   -0.0278   -0.0038    0.0053   -0.0021
            Y    -0.0027    0.0062    0.0069    0.0074    0.0138    0.0077
            Z    -0.0044    0.0188    0.0099    0.0066   -0.0014   -0.0015

 FREQ(CM**-1)    149.38    149.71    152.35    153.40    153.55    158.84

 AT.   1 SI X    -0.0059   -0.0079   -0.0045   -0.0030    0.0024    0.0086
            Y    -0.0002   -0.0048    0.0017   -0.0185    0.0010   -0.0011
            Z     0.0082    0.0013    0.0127    0.0119   -0.0085    0.0040
 AT.   2 SI X     0.0059    0.0079    0.0045    0.0030   -0.0024    0.0086
            Y     0.0002    0.0048   -0.0017    0.0185   -0.0010   -0.0011
            Z     0.0082    0.0013    0.0127    0.0119   -0.0085   -0.0040
 AT.   3 SI X     0.0059   -0.0079    0.0045   -0.0030    0.0024   -0.0086
            Y    -0.0002    0.0048    0.0017    0.0185   -0.0010   -0.0011
            Z     0.0082   -0.0013    0.0127   -0.0119    0.0085    0.0040
 AT.   4 SI X    -0.0059    0.0079   -0.0045    0.0030   -0.0024   -0.0086
            Y     0.0002   -0.0048   -0.0017   -0.0185    0.0010   -0.0011
            Z     0.0082   -0.0013    0.0127   -0.0119    0.0085   -0.0040
 AT.   5 SI X     0.0059    0.0079   -0.0045    0.0030    0.0024    0.0086
            Y     0.0002    0.0048    0.0017    0.0185    0.0010   -0.0011
            Z    -0.0082   -0.0013    0.0127   -0.0119   -0.0085    0.0040
 AT.   6 SI X    -0.0059   -0.0079    0.0045   -0.0030   -0.0024    0.0086
            Y    -0.0002   -0.0048   -0.0017   -0.0185   -0.0010   -0.0011
            Z    -0.0082   -0.0013    0.0127   -0.0119   -0.0085   -0.0040
 AT.   7 SI X    -0.0059    0.0079    0.0045    0.0030    0.0024   -0.0086
            Y     0.0002   -0.0048    0.0017   -0.0185   -0.0010   -0.0011
            Z    -0.0082    0.0013    0.0127    0.0119    0.0085    0.0040
 AT.   8 SI X     0.0059   -0.0079   -0.0045   -0.0030   -0.0024   -0.0086
            Y    -0.0002    0.0048   -0.0017    0.0185    0.0010   -0.0011
            Z    -0.0082    0.0013    0.0127    0.0119    0.0085   -0.0040
 AT.   9 SI X    -0.0002    0.0135    0.0004   -0.0132   -0.0032   -0.0192
            Y     0.0001    0.0031   -0.0100    0.0056    0.0067   -0.0002
            Z     0.0030    0.0098   -0.0113    0.0093    0.0064   -0.0062
 AT.  10 SI X     0.0002   -0.0135   -0.0004    0.0132    0.0032   -0.0192
            Y    -0.0001   -0.0031    0.0100   -0.0056   -0.0067   -0.0002
            Z     0.0030    0.0098   -0.0113    0.0093    0.0064    0.0062
 AT.  11 SI X     0.0002    0.0135   -0.0004   -0.0132   -0.0032    0.0192
            Y     0.0001   -0.0031   -0.0100   -0.0056   -0.0067   -0.0002
            Z     0.0030   -0.0098   -0.0113   -0.0093   -0.0064   -0.0062
 AT.  12 SI X    -0.0002   -0.0135    0.0004    0.0132    0.0032    0.0192
            Y    -0.0001    0.0031    0.0100    0.0056    0.0067   -0.0002
            Z     0.0030   -0.0098   -0.0113   -0.0093   -0.0064    0.0062
 AT.  13 SI X     0.0002   -0.0135    0.0004    0.0132   -0.0032   -0.0192
            Y    -0.0001   -0.0031   -0.0100   -0.0056    0.0067   -0.0002
            Z    -0.0030   -0.0098   -0.0113   -0.0093    0.0064   -0.0062
 AT.  14 SI X    -0.0002    0.0135   -0.0004   -0.0132    0.0032   -0.0192
            Y     0.0001    0.0031    0.0100    0.0056   -0.0067   -0.0002
            Z    -0.0030   -0.0098   -0.0113   -0.0093    0.0064    0.0062
 AT.  15 SI X    -0.0002   -0.0135   -0.0004    0.0132   -0.0032    0.0192
            Y    -0.0001    0.0031   -0.0100    0.0056   -0.0067   -0.0002
            Z    -0.0030    0.0098   -0.0113    0.0093   -0.0064   -0.0062
 AT.  16 SI X     0.0002    0.0135    0.0004   -0.0132    0.0032    0.0192
            Y     0.0001   -0.0031    0.0100   -0.0056    0.0067   -0.0002
            Z    -0.0030    0.0098   -0.0113    0.0093   -0.0064    0.0062
 AT.  17 SI X    -0.0055    0.0000    0.0066    0.0000    0.0000    0.0000
            Y     0.0000    0.0058    0.0000    0.0074   -0.0152   -0.0045
            Z    -0.0027    0.0000   -0.0114    0.0000    0.0000    0.0000
 AT.  18 SI X     0.0055    0.0000   -0.0066    0.0000    0.0000    0.0000
            Y     0.0000   -0.0058    0.0000   -0.0074    0.0152   -0.0045
            Z    -0.0027    0.0000   -0.0114    0.0000    0.0000    0.0000
 AT.  19 SI X     0.0055    0.0000    0.0066    0.0000    0.0000    0.0000
            Y     0.0000   -0.0058    0.0000   -0.0074   -0.0152   -0.0045
            Z     0.0027    0.0000   -0.0114    0.0000    0.0000    0.0000
 AT.  20 SI X    -0.0055    0.0000   -0.0066    0.0000    0.0000    0.0000
            Y     0.0000    0.0058    0.0000    0.0074    0.0152   -0.0045
            Z     0.0027    0.0000   -0.0114    0.0000    0.0000    0.0000
 AT.  21 CA X    -0.0077    0.0308   -0.0071   -0.0056    0.0024   -0.0210
            Y     0.0029   -0.0079    0.0031   -0.0138    0.0099   -0.0008
            Z    -0.0070    0.0071    0.0094    0.0002   -0.0021   -0.0061
 AT.  22 CA X     0.0077   -0.0308    0.0071    0.0056   -0.0024   -0.0210
            Y    -0.0029    0.0079   -0.0031    0.0138   -0.0099   -0.0008
            Z    -0.0070    0.0071    0.0094    0.0002   -0.0021    0.0061
 AT.  23 CA X     0.0077    0.0308    0.0071   -0.0056    0.0024    0.0210
            Y     0.0029    0.0079    0.0031    0.0138   -0.0099   -0.0008
            Z    -0.0070   -0.0071    0.0094   -0.0002    0.0021   -0.0061
 AT.  24 CA X    -0.0077   -0.0308   -0.0071    0.0056   -0.0024    0.0210
            Y    -0.0029   -0.0079   -0.0031   -0.0138    0.0099   -0.0008
            Z    -0.0070   -0.0071    0.0094   -0.0002    0.0021    0.0061
 AT.  25 CA X     0.0077   -0.0308   -0.0071    0.0056    0.0024   -0.0210
            Y    -0.0029    0.0079    0.0031    0.0138    0.0099   -0.0008
            Z     0.0070   -0.0071    0.0094   -0.0002   -0.0021   -0.0061
 AT.  26 CA X    -0.0077    0.0308    0.0071   -0.0056   -0.0024   -0.0210
            Y     0.0029   -0.0079   -0.0031   -0.0138   -0.0099   -0.0008
            Z     0.0070   -0.0071    0.0094   -0.0002   -0.0021    0.0061
 AT.  27 CA X    -0.0077   -0.0308    0.0071    0.0056    0.0024    0.0210
            Y    -0.0029   -0.0079    0.0031   -0.0138   -0.0099   -0.0008
            Z     0.0070    0.0071    0.0094    0.0002    0.0021   -0.0061
 AT.  28 CA X     0.0077    0.0308   -0.0071   -0.0056   -0.0024    0.0210
            Y     0.0029    0.0079   -0.0031    0.0138    0.0099   -0.0008
            Z     0.0070    0.0071    0.0094    0.0002    0.0021    0.0061
 AT.  29 CA X     0.0000    0.0000   -0.0145    0.0000    0.0058    0.0086
            Y     0.0000    0.0000    0.0071    0.0000    0.0140   -0.0038
            Z     0.0000    0.0000    0.0187    0.0000   -0.0206    0.0012
 AT.  30 CA X     0.0000    0.0000    0.0145    0.0000   -0.0058    0.0086
            Y     0.0000    0.0000   -0.0071    0.0000   -0.0140   -0.0038
            Z     0.0000    0.0000    0.0187    0.0000   -0.0206   -0.0012
 AT.  31 CA X     0.0000    0.0000    0.0145    0.0000    0.0058   -0.0086
            Y     0.0000    0.0000    0.0071    0.0000   -0.0140   -0.0038
            Z     0.0000    0.0000    0.0187    0.0000    0.0206    0.0012
 AT.  32 CA X     0.0000    0.0000   -0.0145    0.0000   -0.0058   -0.0086
            Y     0.0000    0.0000   -0.0071    0.0000    0.0140   -0.0038
            Z     0.0000    0.0000    0.0187    0.0000    0.0206   -0.0012
 AT.  33 CA X    -0.0087    0.0091    0.0002   -0.0148   -0.0083   -0.0124
            Y     0.0118   -0.0101   -0.0041   -0.0092    0.0191    0.0096
            Z     0.0066    0.0070    0.0027    0.0079    0.0008   -0.0023
 AT.  34 CA X     0.0087   -0.0091   -0.0002    0.0148    0.0083   -0.0124
            Y    -0.0118    0.0101    0.0041    0.0092   -0.0191    0.0096
            Z     0.0066    0.0070    0.0027    0.0079    0.0008    0.0023
 AT.  35 CA X     0.0087    0.0091   -0.0002   -0.0148   -0.0083    0.0124
            Y     0.0118    0.0101   -0.0041    0.0092   -0.0191    0.0096
            Z     0.0066   -0.0070    0.0027   -0.0079   -0.0008   -0.0023
 AT.  36 CA X    -0.0087   -0.0091    0.0002    0.0148    0.0083    0.0124
            Y    -0.0118   -0.0101    0.0041   -0.0092    0.0191    0.0096
            Z     0.0066   -0.0070    0.0027   -0.0079   -0.0008    0.0023
 AT.  37 CA X     0.0087   -0.0091    0.0002    0.0148   -0.0083   -0.0124
            Y    -0.0118    0.0101   -0.0041    0.0092    0.0191    0.0096
            Z    -0.0066   -0.0070    0.0027   -0.0079    0.0008   -0.0023
 AT.  38 CA X    -0.0087    0.0091   -0.0002   -0.0148    0.0083   -0.0124
            Y     0.0118   -0.0101    0.0041   -0.0092   -0.0191    0.0096
            Z    -0.0066   -0.0070    0.0027   -0.0079    0.0008    0.0023
 AT.  39 CA X    -0.0087   -0.0091   -0.0002    0.0148   -0.0083    0.0124
            Y    -0.0118   -0.0101   -0.0041   -0.0092   -0.0191    0.0096
            Z    -0.0066    0.0070    0.0027    0.0079   -0.0008   -0.0023
 AT.  40 CA X     0.0087    0.0091    0.0002   -0.0148    0.0083    0.0124
            Y     0.0118    0.0101    0.0041    0.0092    0.0191    0.0096
            Z    -0.0066    0.0070    0.0027    0.0079   -0.0008    0.0023
 AT.  41 CA X    -0.0001   -0.0108    0.0089    0.0052   -0.0021    0.0145
            Y     0.0061   -0.0007   -0.0135    0.0050   -0.0053    0.0043
            Z     0.0098   -0.0020   -0.0003    0.0087    0.0061    0.0072
 AT.  42 CA X     0.0001    0.0108   -0.0089   -0.0052    0.0021    0.0145
            Y    -0.0061    0.0007    0.0135   -0.0050    0.0053    0.0043
            Z     0.0098   -0.0020   -0.0003    0.0087    0.0061   -0.0072
 AT.  43 CA X     0.0001   -0.0108   -0.0089    0.0052   -0.0021   -0.0145
            Y     0.0061    0.0007   -0.0135   -0.0050    0.0053    0.0043
            Z     0.0098    0.0020   -0.0003   -0.0087   -0.0061    0.0072
 AT.  44 CA X    -0.0001    0.0108    0.0089   -0.0052    0.0021   -0.0145
            Y    -0.0061   -0.0007    0.0135    0.0050   -0.0053    0.0043
            Z     0.0098    0.0020   -0.0003   -0.0087   -0.0061   -0.0072
 AT.  45 CA X     0.0001    0.0108    0.0089   -0.0052   -0.0021    0.0145
            Y    -0.0061    0.0007   -0.0135   -0.0050   -0.0053    0.0043
            Z    -0.0098    0.0020   -0.0003   -0.0087    0.0061    0.0072
 AT.  46 CA X    -0.0001   -0.0108   -0.0089    0.0052    0.0021    0.0145
            Y     0.0061   -0.0007    0.0135    0.0050    0.0053    0.0043
            Z    -0.0098    0.0020   -0.0003   -0.0087    0.0061   -0.0072
 AT.  47 CA X    -0.0001    0.0108   -0.0089   -0.0052   -0.0021   -0.0145
            Y    -0.0061   -0.0007   -0.0135    0.0050    0.0053    0.0043
            Z    -0.0098   -0.0020   -0.0003    0.0087   -0.0061    0.0072
 AT.  48 CA X     0.0001   -0.0108    0.0089    0.0052    0.0021   -0.0145
            Y     0.0061    0.0007    0.0135   -0.0050   -0.0053    0.0043
            Z    -0.0098   -0.0020   -0.0003    0.0087   -0.0061   -0.0072
 AT.  49 CA X     0.0472    0.0000    0.0134    0.0000    0.0000    0.0000
            Y     0.0000    0.0097    0.0000    0.0093    0.0122   -0.0088
            Z    -0.0288    0.0000   -0.0317    0.0000    0.0000    0.0000
 AT.  50 CA X    -0.0472    0.0000   -0.0134    0.0000    0.0000    0.0000
            Y     0.0000   -0.0097    0.0000   -0.0093   -0.0122   -0.0088
            Z    -0.0288    0.0000   -0.0317    0.0000    0.0000    0.0000
 AT.  51 CA X    -0.0472    0.0000    0.0134    0.0000    0.0000    0.0000
            Y     0.0000   -0.0097    0.0000   -0.0093    0.0122   -0.0088
            Z     0.0288    0.0000   -0.0317    0.0000    0.0000    0.0000
 AT.  52 CA X     0.0472    0.0000   -0.0134    0.0000    0.0000    0.0000
            Y     0.0000    0.0097    0.0000    0.0093   -0.0122   -0.0088
            Z     0.0288    0.0000   -0.0317    0.0000    0.0000    0.0000
 AT.  53 O  X    -0.0094    0.0019   -0.0044   -0.0101   -0.0061    0.0006
            Y     0.0014   -0.0093    0.0019   -0.0158    0.0060    0.0025
            Z     0.0080    0.0007    0.0106    0.0063   -0.0122    0.0028
 AT.  54 O  X     0.0094   -0.0019    0.0044    0.0101    0.0061    0.0006
            Y    -0.0014    0.0093   -0.0019    0.0158   -0.0060    0.0025
            Z     0.0080    0.0007    0.0106    0.0063   -0.0122   -0.0028
 AT.  55 O  X     0.0094    0.0019    0.0044   -0.0101   -0.0061   -0.0006
            Y     0.0014    0.0093    0.0019    0.0158   -0.0060    0.0025
            Z     0.0080   -0.0007    0.0106   -0.0063    0.0122    0.0028
 AT.  56 O  X    -0.0094   -0.0019   -0.0044    0.0101    0.0061   -0.0006
            Y    -0.0014   -0.0093   -0.0019   -0.0158    0.0060    0.0025
            Z     0.0080   -0.0007    0.0106   -0.0063    0.0122   -0.0028
 AT.  57 O  X     0.0094   -0.0019   -0.0044    0.0101   -0.0061    0.0006
            Y    -0.0014    0.0093    0.0019    0.0158    0.0060    0.0025
            Z    -0.0080   -0.0007    0.0106   -0.0063   -0.0122    0.0028
 AT.  58 O  X    -0.0094    0.0019    0.0044   -0.0101    0.0061    0.0006
            Y     0.0014   -0.0093   -0.0019   -0.0158   -0.0060    0.0025
            Z    -0.0080   -0.0007    0.0106   -0.0063   -0.0122   -0.0028
 AT.  59 O  X    -0.0094   -0.0019    0.0044    0.0101   -0.0061   -0.0006
            Y    -0.0014   -0.0093    0.0019   -0.0158   -0.0060    0.0025
            Z    -0.0080    0.0007    0.0106    0.0063    0.0122    0.0028
 AT.  60 O  X     0.0094    0.0019   -0.0044   -0.0101    0.0061   -0.0006
            Y     0.0014    0.0093   -0.0019    0.0158    0.0060    0.0025
            Z    -0.0080    0.0007    0.0106    0.0063    0.0122   -0.0028
 AT.  61 O  X    -0.0028   -0.0121   -0.0072   -0.0006    0.0097    0.0137
            Y     0.0024   -0.0056   -0.0010   -0.0171   -0.0004    0.0006
            Z     0.0078    0.0006    0.0113    0.0119   -0.0034    0.0046
 AT.  62 O  X     0.0028    0.0121    0.0072    0.0006   -0.0097    0.0137
            Y    -0.0024    0.0056    0.0010    0.0171    0.0004    0.0006
            Z     0.0078    0.0006    0.0113    0.0119   -0.0034   -0.0046
 AT.  63 O  X     0.0028   -0.0121    0.0072   -0.0006    0.0097   -0.0137
            Y     0.0024    0.0056   -0.0010    0.0171    0.0004    0.0006
            Z     0.0078   -0.0006    0.0113   -0.0119    0.0034    0.0046
 AT.  64 O  X    -0.0028    0.0121   -0.0072    0.0006   -0.0097   -0.0137
            Y    -0.0024   -0.0056    0.0010   -0.0171   -0.0004    0.0006
            Z     0.0078   -0.0006    0.0113   -0.0119    0.0034   -0.0046
 AT.  65 O  X     0.0028    0.0121   -0.0072    0.0006    0.0097    0.0137
            Y    -0.0024    0.0056   -0.0010    0.0171   -0.0004    0.0006
            Z    -0.0078   -0.0006    0.0113   -0.0119   -0.0034    0.0046
 AT.  66 O  X    -0.0028   -0.0121    0.0072   -0.0006   -0.0097    0.0137
            Y     0.0024   -0.0056    0.0010   -0.0171    0.0004    0.0006
            Z    -0.0078   -0.0006    0.0113   -0.0119   -0.0034   -0.0046
 AT.  67 O  X    -0.0028    0.0121    0.0072    0.0006    0.0097   -0.0137
            Y    -0.0024   -0.0056   -0.0010   -0.0171    0.0004    0.0006
            Z    -0.0078    0.0006    0.0113    0.0119    0.0034    0.0046
 AT.  68 O  X     0.0028   -0.0121   -0.0072   -0.0006   -0.0097   -0.0137
            Y     0.0024    0.0056    0.0010    0.0171   -0.0004    0.0006
            Z    -0.0078    0.0006    0.0113    0.0119    0.0034   -0.0046
 AT.  69 O  X    -0.0023   -0.0105   -0.0027    0.0063    0.0034    0.0071
            Y    -0.0012   -0.0042    0.0024   -0.0097    0.0094   -0.0009
            Z     0.0060    0.0024    0.0127    0.0100   -0.0049    0.0035
 AT.  70 O  X     0.0023    0.0105    0.0027   -0.0063   -0.0034    0.0071
            Y     0.0012    0.0042   -0.0024    0.0097   -0.0094   -0.0009
            Z     0.0060    0.0024    0.0127    0.0100   -0.0049   -0.0035
 AT.  71 O  X     0.0023   -0.0105    0.0027    0.0063    0.0034   -0.0071
            Y    -0.0012    0.0042    0.0024    0.0097   -0.0094   -0.0009
            Z     0.0060   -0.0024    0.0127   -0.0100    0.0049    0.0035
 AT.  72 O  X    -0.0023    0.0105   -0.0027   -0.0063   -0.0034   -0.0071
            Y     0.0012   -0.0042   -0.0024   -0.0097    0.0094   -0.0009
            Z     0.0060   -0.0024    0.0127   -0.0100    0.0049   -0.0035
 AT.  73 O  X     0.0023    0.0105   -0.0027   -0.0063    0.0034    0.0071
            Y     0.0012    0.0042    0.0024    0.0097    0.0094   -0.0009
            Z    -0.0060   -0.0024    0.0127   -0.0100   -0.0049    0.0035
 AT.  74 O  X    -0.0023   -0.0105    0.0027    0.0063   -0.0034    0.0071
            Y    -0.0012   -0.0042   -0.0024   -0.0097   -0.0094   -0.0009
            Z    -0.0060   -0.0024    0.0127   -0.0100   -0.0049   -0.0035
 AT.  75 O  X    -0.0023    0.0105    0.0027   -0.0063    0.0034   -0.0071
            Y     0.0012   -0.0042    0.0024   -0.0097   -0.0094   -0.0009
            Z    -0.0060    0.0024    0.0127    0.0100    0.0049    0.0035
 AT.  76 O  X     0.0023   -0.0105   -0.0027    0.0063   -0.0034   -0.0071
            Y    -0.0012    0.0042   -0.0024    0.0097    0.0094   -0.0009
            Z    -0.0060    0.0024    0.0127    0.0100    0.0049   -0.0035
 AT.  77 O  X    -0.0056   -0.0076   -0.0051   -0.0026    0.0025    0.0085
            Y    -0.0020   -0.0010    0.0024   -0.0183   -0.0001   -0.0043
            Z     0.0051    0.0060    0.0166    0.0097   -0.0116   -0.0020
 AT.  78 O  X     0.0056    0.0076    0.0051    0.0026   -0.0025    0.0085
            Y     0.0020    0.0010   -0.0024    0.0183    0.0001   -0.0043
            Z     0.0051    0.0060    0.0166    0.0097   -0.0116    0.0020
 AT.  79 O  X     0.0056   -0.0076    0.0051   -0.0026    0.0025   -0.0085
            Y    -0.0020    0.0010    0.0024    0.0183    0.0001   -0.0043
            Z     0.0051   -0.0060    0.0166   -0.0097    0.0116   -0.0020
 AT.  80 O  X    -0.0056    0.0076   -0.0051    0.0026   -0.0025   -0.0085
            Y     0.0020   -0.0010   -0.0024   -0.0183   -0.0001   -0.0043
            Z     0.0051   -0.0060    0.0166   -0.0097    0.0116    0.0020
 AT.  81 O  X     0.0056    0.0076   -0.0051    0.0026    0.0025    0.0085
            Y     0.0020    0.0010    0.0024    0.0183   -0.0001   -0.0043
            Z    -0.0051   -0.0060    0.0166   -0.0097   -0.0116   -0.0020
 AT.  82 O  X    -0.0056   -0.0076    0.0051   -0.0026   -0.0025    0.0085
            Y    -0.0020   -0.0010   -0.0024   -0.0183    0.0001   -0.0043
            Z    -0.0051   -0.0060    0.0166   -0.0097   -0.0116    0.0020
 AT.  83 O  X    -0.0056    0.0076    0.0051    0.0026    0.0025   -0.0085
            Y     0.0020   -0.0010    0.0024   -0.0183    0.0001   -0.0043
            Z    -0.0051    0.0060    0.0166    0.0097    0.0116   -0.0020
 AT.  84 O  X     0.0056   -0.0076   -0.0051   -0.0026   -0.0025   -0.0085
            Y    -0.0020    0.0010   -0.0024    0.0183   -0.0001   -0.0043
            Z    -0.0051    0.0060    0.0166    0.0097    0.0116    0.0020
 AT.  85 O  X    -0.0066    0.0181    0.0027   -0.0202   -0.0022   -0.0253
            Y     0.0064    0.0046   -0.0073    0.0015    0.0263   -0.0038
            Z    -0.0034    0.0107   -0.0097    0.0069   -0.0042   -0.0067
 AT.  86 O  X     0.0066   -0.0181   -0.0027    0.0202    0.0022   -0.0253
            Y    -0.0064   -0.0046    0.0073   -0.0015   -0.0263   -0.0038
            Z    -0.0034    0.0107   -0.0097    0.0069   -0.0042    0.0067
 AT.  87 O  X     0.0066    0.0181   -0.0027   -0.0202   -0.0022    0.0253
            Y     0.0064   -0.0046   -0.0073   -0.0015   -0.0263   -0.0038
            Z    -0.0034   -0.0107   -0.0097   -0.0069    0.0042   -0.0067
 AT.  88 O  X    -0.0066   -0.0181    0.0027    0.0202    0.0022    0.0253
            Y    -0.0064    0.0046    0.0073    0.0015    0.0263   -0.0038
            Z    -0.0034   -0.0107   -0.0097   -0.0069    0.0042    0.0067
 AT.  89 O  X     0.0066   -0.0181    0.0027    0.0202   -0.0022   -0.0253
            Y    -0.0064   -0.0046   -0.0073   -0.0015    0.0263   -0.0038
            Z     0.0034   -0.0107   -0.0097   -0.0069   -0.0042   -0.0067
 AT.  90 O  X    -0.0066    0.0181   -0.0027   -0.0202    0.0022   -0.0253
            Y     0.0064    0.0046    0.0073    0.0015   -0.0263   -0.0038
            Z     0.0034   -0.0107   -0.0097   -0.0069   -0.0042    0.0067
 AT.  91 O  X    -0.0066   -0.0181   -0.0027    0.0202   -0.0022    0.0253
            Y    -0.0064    0.0046   -0.0073    0.0015   -0.0263   -0.0038
            Z     0.0034    0.0107   -0.0097    0.0069    0.0042   -0.0067
 AT.  92 O  X     0.0066    0.0181    0.0027   -0.0202    0.0022    0.0253
            Y     0.0064   -0.0046    0.0073   -0.0015    0.0263   -0.0038
            Z     0.0034    0.0107   -0.0097    0.0069    0.0042    0.0067
 AT.  93 O  X    -0.0010    0.0087   -0.0017   -0.0103    0.0015   -0.0131
            Y    -0.0003    0.0047   -0.0094    0.0044    0.0029   -0.0025
            Z     0.0093    0.0104   -0.0089    0.0076    0.0271   -0.0079
 AT.  94 O  X     0.0010   -0.0087    0.0017    0.0103   -0.0015   -0.0131
            Y     0.0003   -0.0047    0.0094   -0.0044   -0.0029   -0.0025
            Z     0.0093    0.0104   -0.0089    0.0076    0.0271    0.0079
 AT.  95 O  X     0.0010    0.0087    0.0017   -0.0103    0.0015    0.0131
            Y    -0.0003   -0.0047   -0.0094   -0.0044   -0.0029   -0.0025
            Z     0.0093   -0.0104   -0.0089   -0.0076   -0.0271   -0.0079
 AT.  96 O  X    -0.0010   -0.0087   -0.0017    0.0103   -0.0015    0.0131
            Y     0.0003    0.0047    0.0094    0.0044    0.0029   -0.0025
            Z     0.0093   -0.0104   -0.0089   -0.0076   -0.0271    0.0079
 AT.  97 O  X     0.0010   -0.0087   -0.0017    0.0103    0.0015   -0.0131
            Y     0.0003   -0.0047   -0.0094   -0.0044    0.0029   -0.0025
            Z    -0.0093   -0.0104   -0.0089   -0.0076    0.0271   -0.0079
 AT.  98 O  X    -0.0010    0.0087    0.0017   -0.0103   -0.0015   -0.0131
            Y    -0.0003    0.0047    0.0094    0.0044   -0.0029   -0.0025
            Z    -0.0093   -0.0104   -0.0089   -0.0076    0.0271    0.0079
 AT.  99 O  X    -0.0010   -0.0087    0.0017    0.0103    0.0015    0.0131
            Y     0.0003    0.0047   -0.0094    0.0044   -0.0029   -0.0025
            Z    -0.0093    0.0104   -0.0089    0.0076   -0.0271   -0.0079
 AT. 100 O  X     0.0010    0.0087   -0.0017   -0.0103   -0.0015    0.0131
            Y    -0.0003   -0.0047    0.0094   -0.0044    0.0029   -0.0025
            Z    -0.0093    0.0104   -0.0089    0.0076   -0.0271    0.0079
 AT. 101 O  X     0.0012    0.0112    0.0075   -0.0013   -0.0079   -0.0124
            Y    -0.0100    0.0040   -0.0035    0.0082   -0.0140   -0.0011
            Z    -0.0060    0.0101   -0.0130    0.0033   -0.0074   -0.0088
 AT. 102 O  X    -0.0012   -0.0112   -0.0075    0.0013    0.0079   -0.0124
            Y     0.0100   -0.0040    0.0035   -0.0082    0.0140   -0.0011
            Z    -0.0060    0.0101   -0.0130    0.0033   -0.0074    0.0088
 AT. 103 O  X    -0.0012    0.0112   -0.0075   -0.0013   -0.0079    0.0124
            Y    -0.0100   -0.0040   -0.0035   -0.0082    0.0140   -0.0011
            Z    -0.0060   -0.0101   -0.0130   -0.0033    0.0074   -0.0088
 AT. 104 O  X     0.0012   -0.0112    0.0075    0.0013    0.0079    0.0124
            Y     0.0100    0.0040    0.0035    0.0082   -0.0140   -0.0011
            Z    -0.0060   -0.0101   -0.0130   -0.0033    0.0074    0.0088
 AT. 105 O  X    -0.0012   -0.0112    0.0075    0.0013   -0.0079   -0.0124
            Y     0.0100   -0.0040   -0.0035   -0.0082   -0.0140   -0.0011
            Z     0.0060   -0.0101   -0.0130   -0.0033   -0.0074   -0.0088
 AT. 106 O  X     0.0012    0.0112   -0.0075   -0.0013    0.0079   -0.0124
            Y    -0.0100    0.0040    0.0035    0.0082    0.0140   -0.0011
            Z     0.0060   -0.0101   -0.0130   -0.0033   -0.0074    0.0088
 AT. 107 O  X     0.0012   -0.0112   -0.0075    0.0013   -0.0079    0.0124
            Y     0.0100    0.0040   -0.0035    0.0082    0.0140   -0.0011
            Z     0.0060    0.0101   -0.0130    0.0033    0.0074   -0.0088
 AT. 108 O  X    -0.0012    0.0112    0.0075   -0.0013    0.0079    0.0124
            Y    -0.0100   -0.0040    0.0035   -0.0082   -0.0140   -0.0011
            Z     0.0060    0.0101   -0.0130    0.0033    0.0074    0.0088
 AT. 109 O  X    -0.0017    0.0141    0.0010   -0.0130   -0.0041   -0.0197
            Y     0.0057    0.0002   -0.0083    0.0062    0.0122    0.0029
            Z     0.0113    0.0041   -0.0062    0.0182    0.0009    0.0043
 AT. 110 O  X     0.0017   -0.0141   -0.0010    0.0130    0.0041   -0.0197
            Y    -0.0057   -0.0002    0.0083   -0.0062   -0.0122    0.0029
            Z     0.0113    0.0041   -0.0062    0.0182    0.0009   -0.0043
 AT. 111 O  X     0.0017    0.0141   -0.0010   -0.0130   -0.0041    0.0197
            Y     0.0057   -0.0002   -0.0083   -0.0062   -0.0122    0.0029
            Z     0.0113   -0.0041   -0.0062   -0.0182   -0.0009    0.0043
 AT. 112 O  X    -0.0017   -0.0141    0.0010    0.0130    0.0041    0.0197
            Y    -0.0057    0.0002    0.0083    0.0062    0.0122    0.0029
            Z     0.0113   -0.0041   -0.0062   -0.0182   -0.0009   -0.0043
 AT. 113 O  X     0.0017   -0.0141    0.0010    0.0130   -0.0041   -0.0197
            Y    -0.0057   -0.0002   -0.0083   -0.0062    0.0122    0.0029
            Z    -0.0113   -0.0041   -0.0062   -0.0182    0.0009    0.0043
 AT. 114 O  X    -0.0017    0.0141   -0.0010   -0.0130    0.0041   -0.0197
            Y     0.0057    0.0002    0.0083    0.0062   -0.0122    0.0029
            Z    -0.0113   -0.0041   -0.0062   -0.0182    0.0009   -0.0043
 AT. 115 O  X    -0.0017   -0.0141   -0.0010    0.0130   -0.0041    0.0197
            Y    -0.0057    0.0002   -0.0083    0.0062   -0.0122    0.0029
            Z    -0.0113    0.0041   -0.0062    0.0182   -0.0009    0.0043
 AT. 116 O  X     0.0017    0.0141    0.0010   -0.0130    0.0041    0.0197
            Y     0.0057   -0.0002    0.0083   -0.0062    0.0122    0.0029
            Z    -0.0113    0.0041   -0.0062    0.0182   -0.0009   -0.0043
 AT. 117 O  X    -0.0077    0.0130    0.0110    0.0011   -0.0154   -0.0135
            Y    -0.0071    0.0049    0.0024    0.0080   -0.0131   -0.0033
            Z     0.0080   -0.0112   -0.0197   -0.0006    0.0117    0.0116
 AT. 118 O  X     0.0077   -0.0130   -0.0110   -0.0011    0.0154   -0.0135
            Y     0.0071   -0.0049   -0.0024   -0.0080    0.0131   -0.0033
            Z     0.0080   -0.0112   -0.0197   -0.0006    0.0117   -0.0116
 AT. 119 O  X     0.0077    0.0130   -0.0110    0.0011   -0.0154    0.0135
            Y    -0.0071   -0.0049    0.0024   -0.0080    0.0131   -0.0033
            Z     0.0080    0.0112   -0.0197    0.0006   -0.0117    0.0116
 AT. 120 O  X    -0.0077   -0.0130    0.0110   -0.0011    0.0154    0.0135
            Y     0.0071    0.0049   -0.0024    0.0080   -0.0131   -0.0033
            Z     0.0080    0.0112   -0.0197    0.0006   -0.0117   -0.0116
 AT. 121 O  X     0.0077   -0.0130    0.0110   -0.0011   -0.0154   -0.0135
            Y     0.0071   -0.0049    0.0024   -0.0080   -0.0131   -0.0033
            Z    -0.0080    0.0112   -0.0197    0.0006    0.0117    0.0116
 AT. 122 O  X    -0.0077    0.0130   -0.0110    0.0011    0.0154   -0.0135
            Y    -0.0071    0.0049   -0.0024    0.0080    0.0131   -0.0033
            Z    -0.0080    0.0112   -0.0197    0.0006    0.0117   -0.0116
 AT. 123 O  X    -0.0077   -0.0130   -0.0110   -0.0011   -0.0154    0.0135
            Y     0.0071    0.0049    0.0024    0.0080    0.0131   -0.0033
            Z    -0.0080   -0.0112   -0.0197   -0.0006   -0.0117    0.0116
 AT. 124 O  X     0.0077    0.0130    0.0110    0.0011    0.0154    0.0135
            Y    -0.0071   -0.0049   -0.0024   -0.0080   -0.0131   -0.0033
            Z    -0.0080   -0.0112   -0.0197   -0.0006   -0.0117   -0.0116

 FREQ(CM**-1)    159.35    161.75    161.76    165.96    169.12    173.17

 AT.   1 SI X     0.0017   -0.0075    0.0113   -0.0025    0.0047    0.0028
            Y     0.0036    0.0160   -0.0118    0.0185   -0.0131    0.0094
            Z     0.0080   -0.0020   -0.0034    0.0010   -0.0094   -0.0139
 AT.   2 SI X     0.0017   -0.0075   -0.0113   -0.0025   -0.0047    0.0028
            Y     0.0036    0.0160    0.0118    0.0185    0.0131    0.0094
            Z    -0.0080    0.0020   -0.0034   -0.0010   -0.0094    0.0139
 AT.   3 SI X     0.0017    0.0075   -0.0113   -0.0025    0.0047    0.0028
            Y    -0.0036    0.0160   -0.0118   -0.0185    0.0131   -0.0094
            Z    -0.0080   -0.0020   -0.0034   -0.0010    0.0094    0.0139
 AT.   4 SI X     0.0017    0.0075    0.0113   -0.0025   -0.0047    0.0028
            Y    -0.0036    0.0160    0.0118   -0.0185   -0.0131   -0.0094
            Z     0.0080    0.0020   -0.0034    0.0010    0.0094   -0.0139
 AT.   5 SI X     0.0017    0.0075   -0.0113    0.0025   -0.0047    0.0028
            Y     0.0036   -0.0160    0.0118   -0.0185    0.0131    0.0094
            Z     0.0080    0.0020    0.0034   -0.0010    0.0094   -0.0139
 AT.   6 SI X     0.0017    0.0075    0.0113    0.0025    0.0047    0.0028
            Y     0.0036   -0.0160   -0.0118   -0.0185   -0.0131    0.0094
            Z    -0.0080   -0.0020    0.0034    0.0010    0.0094    0.0139
 AT.   7 SI X     0.0017   -0.0075    0.0113    0.0025   -0.0047    0.0028
            Y    -0.0036   -0.0160    0.0118    0.0185   -0.0131   -0.0094
            Z    -0.0080    0.0020    0.0034    0.0010   -0.0094    0.0139
 AT.   8 SI X     0.0017   -0.0075   -0.0113    0.0025    0.0047    0.0028
            Y    -0.0036   -0.0160   -0.0118    0.0185    0.0131   -0.0094
            Z     0.0080   -0.0020    0.0034   -0.0010   -0.0094   -0.0139
 AT.   9 SI X    -0.0038    0.0044   -0.0024   -0.0004    0.0008   -0.0016
            Y    -0.0046   -0.0049    0.0103   -0.0076   -0.0068   -0.0018
            Z    -0.0147   -0.0011    0.0051   -0.0001   -0.0032   -0.0048
 AT.  10 SI X    -0.0038    0.0044    0.0024   -0.0004   -0.0008   -0.0016
            Y    -0.0046   -0.0049   -0.0103   -0.0076    0.0068   -0.0018
            Z     0.0147    0.0011    0.0051    0.0001   -0.0032    0.0048
 AT.  11 SI X    -0.0038   -0.0044    0.0024   -0.0004    0.0008   -0.0016
            Y     0.0046   -0.0049    0.0103    0.0076    0.0068    0.0018
            Z     0.0147   -0.0011    0.0051    0.0001    0.0032    0.0048
 AT.  12 SI X    -0.0038   -0.0044   -0.0024   -0.0004   -0.0008   -0.0016
            Y     0.0046   -0.0049   -0.0103    0.0076   -0.0068    0.0018
            Z    -0.0147    0.0011    0.0051   -0.0001    0.0032   -0.0048
 AT.  13 SI X    -0.0038   -0.0044    0.0024    0.0004   -0.0008   -0.0016
            Y    -0.0046    0.0049   -0.0103    0.0076    0.0068   -0.0018
            Z    -0.0147    0.0011   -0.0051    0.0001    0.0032   -0.0048
 AT.  14 SI X    -0.0038   -0.0044   -0.0024    0.0004    0.0008   -0.0016
            Y    -0.0046    0.0049    0.0103    0.0076   -0.0068   -0.0018
            Z     0.0147   -0.0011   -0.0051   -0.0001    0.0032    0.0048
 AT.  15 SI X    -0.0038    0.0044   -0.0024    0.0004   -0.0008   -0.0016
            Y     0.0046    0.0049   -0.0103   -0.0076   -0.0068    0.0018
            Z     0.0147    0.0011   -0.0051   -0.0001   -0.0032    0.0048
 AT.  16 SI X    -0.0038    0.0044    0.0024    0.0004    0.0008   -0.0016
            Y     0.0046    0.0049    0.0103   -0.0076    0.0068    0.0018
            Z    -0.0147   -0.0011   -0.0051    0.0001   -0.0032   -0.0048
 AT.  17 SI X     0.0102    0.0000   -0.0104    0.0074    0.0000   -0.0036
            Y     0.0000   -0.0145    0.0000    0.0000    0.0044    0.0000
            Z    -0.0095    0.0000   -0.0021    0.0126    0.0000    0.0076
 AT.  18 SI X     0.0102    0.0000    0.0104    0.0074    0.0000   -0.0036
            Y     0.0000   -0.0145    0.0000    0.0000   -0.0044    0.0000
            Z     0.0095    0.0000   -0.0021   -0.0126    0.0000   -0.0076
 AT.  19 SI X     0.0102    0.0000    0.0104   -0.0074    0.0000   -0.0036
            Y     0.0000    0.0145    0.0000    0.0000   -0.0044    0.0000
            Z    -0.0095    0.0000    0.0021   -0.0126    0.0000    0.0076
 AT.  20 SI X     0.0102    0.0000   -0.0104   -0.0074    0.0000   -0.0036
            Y     0.0000    0.0145    0.0000    0.0000    0.0044    0.0000
            Z     0.0095    0.0000    0.0021    0.0126    0.0000   -0.0076
 AT.  21 CA X    -0.0003   -0.0214    0.0275   -0.0045   -0.0108   -0.0039
            Y    -0.0124   -0.0072    0.0004    0.0166   -0.0076   -0.0003
            Z     0.0031   -0.0091    0.0095    0.0022   -0.0027    0.0014
 AT.  22 CA X    -0.0003   -0.0214   -0.0275   -0.0045    0.0108   -0.0039
            Y    -0.0124   -0.0072   -0.0004    0.0166    0.0076   -0.0003
            Z    -0.0031    0.0091    0.0095   -0.0022   -0.0027   -0.0014
 AT.  23 CA X    -0.0003    0.0214   -0.0275   -0.0045   -0.0108   -0.0039
            Y     0.0124   -0.0072    0.0004   -0.0166    0.0076    0.0003
            Z    -0.0031   -0.0091    0.0095   -0.0022    0.0027   -0.0014
 AT.  24 CA X    -0.0003    0.0214    0.0275   -0.0045    0.0108   -0.0039
            Y     0.0124   -0.0072   -0.0004   -0.0166   -0.0076    0.0003
            Z     0.0031    0.0091    0.0095    0.0022    0.0027    0.0014
 AT.  25 CA X    -0.0003    0.0214   -0.0275    0.0045    0.0108   -0.0039
            Y    -0.0124    0.0072   -0.0004   -0.0166    0.0076   -0.0003
            Z     0.0031    0.0091   -0.0095   -0.0022    0.0027    0.0014
 AT.  26 CA X    -0.0003    0.0214    0.0275    0.0045   -0.0108   -0.0039
            Y    -0.0124    0.0072    0.0004   -0.0166   -0.0076   -0.0003
            Z    -0.0031   -0.0091   -0.0095    0.0022    0.0027   -0.0014
 AT.  27 CA X    -0.0003   -0.0214    0.0275    0.0045    0.0108   -0.0039
            Y     0.0124    0.0072   -0.0004    0.0166   -0.0076    0.0003
            Z    -0.0031    0.0091   -0.0095    0.0022   -0.0027   -0.0014
 AT.  28 CA X    -0.0003   -0.0214   -0.0275    0.0045   -0.0108   -0.0039
            Y     0.0124    0.0072    0.0004    0.0166    0.0076    0.0003
            Z     0.0031   -0.0091   -0.0095   -0.0022   -0.0027    0.0014
 AT.  29 CA X     0.0028    0.0000    0.0000    0.0000    0.0000    0.0021
            Y    -0.0143    0.0000    0.0000    0.0000    0.0000    0.0114
            Z     0.0218    0.0000    0.0000    0.0000    0.0000   -0.0109
 AT.  30 CA X     0.0028    0.0000    0.0000    0.0000    0.0000    0.0021
            Y    -0.0143    0.0000    0.0000    0.0000    0.0000    0.0114
            Z    -0.0218    0.0000    0.0000    0.0000    0.0000    0.0109
 AT.  31 CA X     0.0028    0.0000    0.0000    0.0000    0.0000    0.0021
            Y     0.0143    0.0000    0.0000    0.0000    0.0000   -0.0114
            Z    -0.0218    0.0000    0.0000    0.0000    0.0000    0.0109
 AT.  32 CA X     0.0028    0.0000    0.0000    0.0000    0.0000    0.0021
            Y     0.0143    0.0000    0.0000    0.0000    0.0000   -0.0114
            Z     0.0218    0.0000    0.0000    0.0000    0.0000   -0.0109
 AT.  33 CA X     0.0021   -0.0062   -0.0008   -0.0086    0.0002    0.0072
            Y    -0.0104    0.0084    0.0017    0.0002    0.0101    0.0164
            Z    -0.0039   -0.0087   -0.0093   -0.0141    0.0047    0.0046
 AT.  34 CA X     0.0021   -0.0062    0.0008   -0.0086   -0.0002    0.0072
            Y    -0.0104    0.0084   -0.0017    0.0002   -0.0101    0.0164
            Z     0.0039    0.0087   -0.0093    0.0141    0.0047   -0.0046
 AT.  35 CA X     0.0021    0.0062    0.0008   -0.0086    0.0002    0.0072
            Y     0.0104    0.0084    0.0017   -0.0002   -0.0101   -0.0164
            Z     0.0039   -0.0087   -0.0093    0.0141   -0.0047   -0.0046
 AT.  36 CA X     0.0021    0.0062   -0.0008   -0.0086   -0.0002    0.0072
            Y     0.0104    0.0084   -0.0017   -0.0002    0.0101   -0.0164
            Z    -0.0039    0.0087   -0.0093   -0.0141   -0.0047    0.0046
 AT.  37 CA X     0.0021    0.0062    0.0008    0.0086   -0.0002    0.0072
            Y    -0.0104   -0.0084   -0.0017   -0.0002   -0.0101    0.0164
            Z    -0.0039    0.0087    0.0093    0.0141   -0.0047    0.0046
 AT.  38 CA X     0.0021    0.0062   -0.0008    0.0086    0.0002    0.0072
            Y    -0.0104   -0.0084    0.0017   -0.0002    0.0101    0.0164
            Z     0.0039   -0.0087    0.0093   -0.0141   -0.0047   -0.0046
 AT.  39 CA X     0.0021   -0.0062   -0.0008    0.0086   -0.0002    0.0072
            Y     0.0104   -0.0084   -0.0017    0.0002    0.0101   -0.0164
            Z     0.0039    0.0087    0.0093   -0.0141    0.0047   -0.0046
 AT.  40 CA X     0.0021   -0.0062    0.0008    0.0086    0.0002    0.0072
            Y     0.0104   -0.0084    0.0017    0.0002   -0.0101   -0.0164
            Z    -0.0039   -0.0087    0.0093    0.0141    0.0047    0.0046
 AT.  41 CA X    -0.0026    0.0097   -0.0092   -0.0014   -0.0143   -0.0039
            Y     0.0067   -0.0093    0.0023   -0.0104    0.0052    0.0015
            Z    -0.0091    0.0115    0.0010    0.0194   -0.0207   -0.0138
 AT.  42 CA X    -0.0026    0.0097    0.0092   -0.0014    0.0143   -0.0039
            Y     0.0067   -0.0093   -0.0023   -0.0104   -0.0052    0.0015
            Z     0.0091   -0.0115    0.0010   -0.0194   -0.0207    0.0138
 AT.  43 CA X    -0.0026   -0.0097    0.0092   -0.0014   -0.0143   -0.0039
            Y    -0.0067   -0.0093    0.0023    0.0104   -0.0052   -0.0015
            Z     0.0091    0.0115    0.0010   -0.0194    0.0207    0.0138
 AT.  44 CA X    -0.0026   -0.0097   -0.0092   -0.0014    0.0143   -0.0039
            Y    -0.0067   -0.0093   -0.0023    0.0104    0.0052   -0.0015
            Z    -0.0091   -0.0115    0.0010    0.0194    0.0207   -0.0138
 AT.  45 CA X    -0.0026   -0.0097    0.0092    0.0014    0.0143   -0.0039
            Y     0.0067    0.0093   -0.0023    0.0104   -0.0052    0.0015
            Z    -0.0091   -0.0115   -0.0010   -0.0194    0.0207   -0.0138
 AT.  46 CA X    -0.0026   -0.0097   -0.0092    0.0014   -0.0143   -0.0039
            Y     0.0067    0.0093    0.0023    0.0104    0.0052    0.0015
            Z     0.0091    0.0115   -0.0010    0.0194    0.0207    0.0138
 AT.  47 CA X    -0.0026    0.0097   -0.0092    0.0014    0.0143   -0.0039
            Y    -0.0067    0.0093   -0.0023   -0.0104    0.0052   -0.0015
            Z     0.0091   -0.0115   -0.0010    0.0194   -0.0207    0.0138
 AT.  48 CA X    -0.0026    0.0097    0.0092    0.0014   -0.0143   -0.0039
            Y    -0.0067    0.0093    0.0023   -0.0104   -0.0052   -0.0015
            Z    -0.0091    0.0115   -0.0010   -0.0194   -0.0207   -0.0138
 AT.  49 CA X    -0.0147    0.0000   -0.0025    0.0024    0.0000    0.0122
            Y     0.0000    0.0118    0.0000    0.0000    0.0025    0.0000
            Z     0.0068    0.0000   -0.0270   -0.0283    0.0000    0.0243
 AT.  50 CA X    -0.0147    0.0000    0.0025    0.0024    0.0000    0.0122
            Y     0.0000    0.0118    0.0000    0.0000   -0.0025    0.0000
            Z    -0.0068    0.0000   -0.0270    0.0283    0.0000   -0.0243
 AT.  51 CA X    -0.0147    0.0000    0.0025   -0.0024    0.0000    0.0122
            Y     0.0000   -0.0118    0.0000    0.0000   -0.0025    0.0000
            Z     0.0068    0.0000    0.0270    0.0283    0.0000    0.0243
 AT.  52 CA X    -0.0147    0.0000   -0.0025   -0.0024    0.0000    0.0122
            Y     0.0000   -0.0118    0.0000    0.0000    0.0025    0.0000
            Z    -0.0068    0.0000    0.0270   -0.0283    0.0000   -0.0243
 AT.  53 O  X     0.0125   -0.0013    0.0080    0.0001   -0.0013    0.0047
            Y    -0.0021    0.0118   -0.0092    0.0160   -0.0087    0.0094
            Z     0.0142   -0.0069   -0.0034   -0.0011   -0.0001   -0.0066
 AT.  54 O  X     0.0125   -0.0013   -0.0080    0.0001    0.0013    0.0047
            Y    -0.0021    0.0118    0.0092    0.0160    0.0087    0.0094
            Z    -0.0142    0.0069   -0.0034    0.0011   -0.0001    0.0066
 AT.  55 O  X     0.0125    0.0013   -0.0080    0.0001   -0.0013    0.0047
            Y     0.0021    0.0118   -0.0092   -0.0160    0.0087   -0.0094
            Z    -0.0142   -0.0069   -0.0034    0.0011    0.0001    0.0066
 AT.  56 O  X     0.0125    0.0013    0.0080    0.0001    0.0013    0.0047
            Y     0.0021    0.0118    0.0092   -0.0160   -0.0087   -0.0094
            Z     0.0142    0.0069   -0.0034   -0.0011    0.0001   -0.0066
 AT.  57 O  X     0.0125    0.0013   -0.0080   -0.0001    0.0013    0.0047
            Y    -0.0021   -0.0118    0.0092   -0.0160    0.0087    0.0094
            Z     0.0142    0.0069    0.0034    0.0011    0.0001   -0.0066
 AT.  58 O  X     0.0125    0.0013    0.0080   -0.0001   -0.0013    0.0047
            Y    -0.0021   -0.0118   -0.0092   -0.0160   -0.0087    0.0094
            Z    -0.0142   -0.0069    0.0034   -0.0011    0.0001    0.0066
 AT.  59 O  X     0.0125   -0.0013    0.0080   -0.0001    0.0013    0.0047
            Y     0.0021   -0.0118    0.0092    0.0160   -0.0087   -0.0094
            Z    -0.0142    0.0069    0.0034   -0.0011   -0.0001    0.0066
 AT.  60 O  X     0.0125   -0.0013   -0.0080   -0.0001   -0.0013    0.0047
            Y     0.0021   -0.0118   -0.0092    0.0160    0.0087   -0.0094
            Z     0.0142   -0.0069    0.0034    0.0011   -0.0001   -0.0066
 AT.  61 O  X    -0.0085   -0.0035    0.0127    0.0002    0.0012    0.0028
            Y     0.0071    0.0071   -0.0108    0.0128   -0.0049    0.0160
            Z     0.0003    0.0052   -0.0032    0.0049   -0.0159   -0.0169
 AT.  62 O  X    -0.0085   -0.0035   -0.0127    0.0002   -0.0012    0.0028
            Y     0.0071    0.0071    0.0108    0.0128    0.0049    0.0160
            Z    -0.0003   -0.0052   -0.0032   -0.0049   -0.0159    0.0169
 AT.  63 O  X    -0.0085    0.0035   -0.0127    0.0002    0.0012    0.0028
            Y    -0.0071    0.0071   -0.0108   -0.0128    0.0049   -0.0160
            Z    -0.0003    0.0052   -0.0032   -0.0049    0.0159    0.0169
 AT.  64 O  X    -0.0085    0.0035    0.0127    0.0002   -0.0012    0.0028
            Y    -0.0071    0.0071    0.0108   -0.0128   -0.0049   -0.0160
            Z     0.0003   -0.0052   -0.0032    0.0049    0.0159   -0.0169
 AT.  65 O  X    -0.0085    0.0035   -0.0127   -0.0002   -0.0012    0.0028
            Y     0.0071   -0.0071    0.0108   -0.0128    0.0049    0.0160
            Z     0.0003   -0.0052    0.0032   -0.0049    0.0159   -0.0169
 AT.  66 O  X    -0.0085    0.0035    0.0127   -0.0002    0.0012    0.0028
            Y     0.0071   -0.0071   -0.0108   -0.0128   -0.0049    0.0160
            Z    -0.0003    0.0052    0.0032    0.0049    0.0159    0.0169
 AT.  67 O  X    -0.0085   -0.0035    0.0127   -0.0002   -0.0012    0.0028
            Y    -0.0071   -0.0071    0.0108    0.0128   -0.0049   -0.0160
            Z    -0.0003   -0.0052    0.0032    0.0049   -0.0159    0.0169
 AT.  68 O  X    -0.0085   -0.0035   -0.0127   -0.0002    0.0012    0.0028
            Y    -0.0071   -0.0071   -0.0108    0.0128    0.0049   -0.0160
            Z     0.0003    0.0052    0.0032   -0.0049   -0.0159   -0.0169
 AT.  69 O  X    -0.0001   -0.0089    0.0070   -0.0061    0.0090   -0.0023
            Y    -0.0079    0.0173   -0.0071    0.0143   -0.0137    0.0037
            Z     0.0034    0.0001    0.0005    0.0014   -0.0114   -0.0136
 AT.  70 O  X    -0.0001   -0.0089   -0.0070   -0.0061   -0.0090   -0.0023
            Y    -0.0079    0.0173    0.0071    0.0143    0.0137    0.0037
            Z    -0.0034   -0.0001    0.0005   -0.0014   -0.0114    0.0136
 AT.  71 O  X    -0.0001    0.0089   -0.0070   -0.0061    0.0090   -0.0023
            Y     0.0079    0.0173   -0.0071   -0.0143    0.0137   -0.0037
            Z    -0.0034    0.0001    0.0005   -0.0014    0.0114    0.0136
 AT.  72 O  X    -0.0001    0.0089    0.0070   -0.0061   -0.0090   -0.0023
            Y     0.0079    0.0173    0.0071   -0.0143   -0.0137   -0.0037
            Z     0.0034   -0.0001    0.0005    0.0014    0.0114   -0.0136
 AT.  73 O  X    -0.0001    0.0089   -0.0070    0.0061   -0.0090   -0.0023
            Y    -0.0079   -0.0173    0.0071   -0.0143    0.0137    0.0037
            Z     0.0034   -0.0001   -0.0005   -0.0014    0.0114   -0.0136
 AT.  74 O  X    -0.0001    0.0089    0.0070    0.0061    0.0090   -0.0023
            Y    -0.0079   -0.0173   -0.0071   -0.0143   -0.0137    0.0037
            Z    -0.0034    0.0001   -0.0005    0.0014    0.0114    0.0136
 AT.  75 O  X    -0.0001   -0.0089    0.0070    0.0061   -0.0090   -0.0023
            Y     0.0079   -0.0173    0.0071    0.0143   -0.0137   -0.0037
            Z    -0.0034   -0.0001   -0.0005    0.0014   -0.0114    0.0136
 AT.  76 O  X    -0.0001   -0.0089   -0.0070    0.0061    0.0090   -0.0023
            Y     0.0079   -0.0173   -0.0071    0.0143    0.0137   -0.0037
            Z     0.0034    0.0001   -0.0005   -0.0014   -0.0114   -0.0136
 AT.  77 O  X     0.0015   -0.0068    0.0108   -0.0023    0.0040    0.0026
            Y     0.0082    0.0182   -0.0123    0.0111   -0.0092    0.0133
            Z     0.0106   -0.0061   -0.0039   -0.0050   -0.0033   -0.0123
 AT.  78 O  X     0.0015   -0.0068   -0.0108   -0.0023   -0.0040    0.0026
            Y     0.0082    0.0182    0.0123    0.0111    0.0092    0.0133
            Z    -0.0106    0.0061   -0.0039    0.0050   -0.0033    0.0123
 AT.  79 O  X     0.0015    0.0068   -0.0108   -0.0023    0.0040    0.0026
            Y    -0.0082    0.0182   -0.0123   -0.0111    0.0092   -0.0133
            Z    -0.0106   -0.0061   -0.0039    0.0050    0.0033    0.0123
 AT.  80 O  X     0.0015    0.0068    0.0108   -0.0023   -0.0040    0.0026
            Y    -0.0082    0.0182    0.0123   -0.0111   -0.0092   -0.0133
            Z     0.0106    0.0061   -0.0039   -0.0050    0.0033   -0.0123
 AT.  81 O  X     0.0015    0.0068   -0.0108    0.0023   -0.0040    0.0026
            Y     0.0082   -0.0182    0.0123   -0.0111    0.0092    0.0133
            Z     0.0106    0.0061    0.0039    0.0050    0.0033   -0.0123
 AT.  82 O  X     0.0015    0.0068    0.0108    0.0023    0.0040    0.0026
            Y     0.0082   -0.0182   -0.0123   -0.0111   -0.0092    0.0133
            Z    -0.0106   -0.0061    0.0039   -0.0050    0.0033    0.0123
 AT.  83 O  X     0.0015   -0.0068    0.0108    0.0023   -0.0040    0.0026
            Y    -0.0082   -0.0182    0.0123    0.0111   -0.0092   -0.0133
            Z    -0.0106    0.0061    0.0039   -0.0050   -0.0033    0.0123
 AT.  84 O  X     0.0015   -0.0068   -0.0108    0.0023    0.0040    0.0026
            Y    -0.0082   -0.0182   -0.0123    0.0111    0.0092   -0.0133
            Z     0.0106   -0.0061    0.0039    0.0050   -0.0033   -0.0123
 AT.  85 O  X     0.0010   -0.0007    0.0015    0.0005    0.0009    0.0034
            Y    -0.0184    0.0060    0.0119   -0.0058   -0.0117   -0.0069
            Z    -0.0045   -0.0103    0.0062    0.0003   -0.0001    0.0008
 AT.  86 O  X     0.0010   -0.0007   -0.0015    0.0005   -0.0009    0.0034
            Y    -0.0184    0.0060   -0.0119   -0.0058    0.0117   -0.0069
            Z     0.0045    0.0103    0.0062   -0.0003   -0.0001   -0.0008
 AT.  87 O  X     0.0010    0.0007   -0.0015    0.0005    0.0009    0.0034
            Y     0.0184    0.0060    0.0119    0.0058    0.0117    0.0069
            Z     0.0045   -0.0103    0.0062   -0.0003    0.0001   -0.0008
 AT.  88 O  X     0.0010    0.0007    0.0015    0.0005   -0.0009    0.0034
            Y     0.0184    0.0060   -0.0119    0.0058   -0.0117    0.0069
            Z    -0.0045    0.0103    0.0062    0.0003    0.0001    0.0008
 AT.  89 O  X     0.0010    0.0007   -0.0015   -0.0005   -0.0009    0.0034
            Y    -0.0184   -0.0060   -0.0119    0.0058    0.0117   -0.0069
            Z    -0.0045    0.0103   -0.0062   -0.0003    0.0001    0.0008
 AT.  90 O  X     0.0010    0.0007    0.0015   -0.0005    0.0009    0.0034
            Y    -0.0184   -0.0060    0.0119    0.0058   -0.0117   -0.0069
            Z     0.0045   -0.0103   -0.0062    0.0003    0.0001   -0.0008
 AT.  91 O  X     0.0010   -0.0007    0.0015   -0.0005   -0.0009    0.0034
            Y     0.0184   -0.0060   -0.0119   -0.0058   -0.0117    0.0069
            Z     0.0045    0.0103   -0.0062    0.0003   -0.0001   -0.0008
 AT.  92 O  X     0.0010   -0.0007   -0.0015   -0.0005    0.0009    0.0034
            Y     0.0184   -0.0060    0.0119   -0.0058    0.0117    0.0069
            Z    -0.0045   -0.0103   -0.0062   -0.0003   -0.0001    0.0008
 AT.  93 O  X    -0.0104    0.0116    0.0050    0.0027   -0.0118   -0.0112
            Y     0.0002   -0.0082    0.0062   -0.0078   -0.0003    0.0039
            Z    -0.0273    0.0127    0.0089    0.0000   -0.0111   -0.0191
 AT.  94 O  X    -0.0104    0.0116   -0.0050    0.0027    0.0118   -0.0112
            Y     0.0002   -0.0082   -0.0062   -0.0078    0.0003    0.0039
            Z     0.0273   -0.0127    0.0089    0.0000   -0.0111    0.0191
 AT.  95 O  X    -0.0104   -0.0116   -0.0050    0.0027   -0.0118   -0.0112
            Y    -0.0002   -0.0082    0.0062    0.0078    0.0003   -0.0039
            Z     0.0273    0.0127    0.0089    0.0000    0.0111    0.0191
 AT.  96 O  X    -0.0104   -0.0116    0.0050    0.0027    0.0118   -0.0112
            Y    -0.0002   -0.0082   -0.0062    0.0078   -0.0003   -0.0039
            Z    -0.0273   -0.0127    0.0089    0.0000    0.0111   -0.0191
 AT.  97 O  X    -0.0104   -0.0116   -0.0050   -0.0027    0.0118   -0.0112
            Y     0.0002    0.0082   -0.0062    0.0078    0.0003    0.0039
            Z    -0.0273   -0.0127   -0.0089    0.0000    0.0111   -0.0191
 AT.  98 O  X    -0.0104   -0.0116    0.0050   -0.0027   -0.0118   -0.0112
            Y     0.0002    0.0082    0.0062    0.0078   -0.0003    0.0039
            Z     0.0273    0.0127   -0.0089    0.0000    0.0111    0.0191
 AT.  99 O  X    -0.0104    0.0116    0.0050   -0.0027    0.0118   -0.0112
            Y    -0.0002    0.0082   -0.0062   -0.0078   -0.0003   -0.0039
            Z     0.0273   -0.0127   -0.0089    0.0000   -0.0111    0.0191
 AT. 100 O  X    -0.0104    0.0116   -0.0050   -0.0027   -0.0118   -0.0112
            Y    -0.0002    0.0082    0.0062   -0.0078    0.0003   -0.0039
            Z    -0.0273    0.0127   -0.0089    0.0000   -0.0111   -0.0191
 AT. 101 O  X     0.0013   -0.0018   -0.0091    0.0023    0.0060   -0.0085
            Y     0.0117   -0.0141    0.0028   -0.0031    0.0052    0.0058
            Z    -0.0050   -0.0043    0.0017    0.0015    0.0052    0.0062
 AT. 102 O  X     0.0013   -0.0018    0.0091    0.0023   -0.0060   -0.0085
            Y     0.0117   -0.0141   -0.0028   -0.0031   -0.0052    0.0058
            Z     0.0050    0.0043    0.0017   -0.0015    0.0052   -0.0062
 AT. 103 O  X     0.0013    0.0018    0.0091    0.0023    0.0060   -0.0085
            Y    -0.0117   -0.0141    0.0028    0.0031   -0.0052   -0.0058
            Z     0.0050   -0.0043    0.0017   -0.0015   -0.0052   -0.0062
 AT. 104 O  X     0.0013    0.0018   -0.0091    0.0023   -0.0060   -0.0085
            Y    -0.0117   -0.0141   -0.0028    0.0031    0.0052   -0.0058
            Z    -0.0050    0.0043    0.0017    0.0015   -0.0052    0.0062
 AT. 105 O  X     0.0013    0.0018    0.0091   -0.0023   -0.0060   -0.0085
            Y     0.0117    0.0141   -0.0028    0.0031   -0.0052    0.0058
            Z    -0.0050    0.0043   -0.0017   -0.0015   -0.0052    0.0062
 AT. 106 O  X     0.0013    0.0018   -0.0091   -0.0023    0.0060   -0.0085
            Y     0.0117    0.0141    0.0028    0.0031    0.0052    0.0058
            Z     0.0050   -0.0043   -0.0017    0.0015   -0.0052   -0.0062
 AT. 107 O  X     0.0013   -0.0018   -0.0091   -0.0023   -0.0060   -0.0085
            Y    -0.0117    0.0141   -0.0028   -0.0031    0.0052   -0.0058
            Z     0.0050    0.0043   -0.0017    0.0015    0.0052   -0.0062
 AT. 108 O  X     0.0013   -0.0018    0.0091   -0.0023    0.0060   -0.0085
            Y    -0.0117    0.0141    0.0028   -0.0031   -0.0052   -0.0058
            Z    -0.0050   -0.0043   -0.0017   -0.0015    0.0052    0.0062
 AT. 109 O  X    -0.0028    0.0035   -0.0029   -0.0011    0.0002   -0.0023
            Y    -0.0114    0.0066    0.0131    0.0020   -0.0080   -0.0042
            Z    -0.0116   -0.0092    0.0045   -0.0033   -0.0068   -0.0065
 AT. 110 O  X    -0.0028    0.0035    0.0029   -0.0011   -0.0002   -0.0023
            Y    -0.0114    0.0066   -0.0131    0.0020    0.0080   -0.0042
            Z     0.0116    0.0092    0.0045    0.0033   -0.0068    0.0065
 AT. 111 O  X    -0.0028   -0.0035    0.0029   -0.0011    0.0002   -0.0023
            Y     0.0114    0.0066    0.0131   -0.0020    0.0080    0.0042
            Z     0.0116   -0.0092    0.0045    0.0033    0.0068    0.0065
 AT. 112 O  X    -0.0028   -0.0035   -0.0029   -0.0011   -0.0002   -0.0023
            Y     0.0114    0.0066   -0.0131   -0.0020   -0.0080    0.0042
            Z    -0.0116    0.0092    0.0045   -0.0033    0.0068   -0.0065
 AT. 113 O  X    -0.0028   -0.0035    0.0029    0.0011   -0.0002   -0.0023
            Y    -0.0114   -0.0066   -0.0131   -0.0020    0.0080   -0.0042
            Z    -0.0116    0.0092   -0.0045    0.0033    0.0068   -0.0065
 AT. 114 O  X    -0.0028   -0.0035   -0.0029    0.0011    0.0002   -0.0023
            Y    -0.0114   -0.0066    0.0131   -0.0020   -0.0080   -0.0042
            Z     0.0116   -0.0092   -0.0045   -0.0033    0.0068    0.0065
 AT. 115 O  X    -0.0028    0.0035   -0.0029    0.0011   -0.0002   -0.0023
            Y     0.0114   -0.0066   -0.0131    0.0020   -0.0080    0.0042
            Z     0.0116    0.0092   -0.0045   -0.0033   -0.0068    0.0065
 AT. 116 O  X    -0.0028    0.0035    0.0029    0.0011    0.0002   -0.0023
            Y     0.0114   -0.0066    0.0131    0.0020    0.0080    0.0042
            Z    -0.0116   -0.0092   -0.0045    0.0033   -0.0068   -0.0065
 AT. 117 O  X     0.0163    0.0024   -0.0062    0.0095    0.0231   -0.0039
            Y    -0.0003   -0.0114   -0.0018    0.0026    0.0035   -0.0023
            Z    -0.0155   -0.0057   -0.0042    0.0064   -0.0229    0.0111
 AT. 118 O  X     0.0163    0.0024    0.0062    0.0095   -0.0231   -0.0039
            Y    -0.0003   -0.0114    0.0018    0.0026   -0.0035   -0.0023
            Z     0.0155    0.0057   -0.0042   -0.0064   -0.0229   -0.0111
 AT. 119 O  X     0.0163   -0.0024    0.0062    0.0095    0.0231   -0.0039
            Y     0.0003   -0.0114   -0.0018   -0.0026   -0.0035    0.0023
            Z     0.0155   -0.0057   -0.0042   -0.0064    0.0229   -0.0111
 AT. 120 O  X     0.0163   -0.0024   -0.0062    0.0095   -0.0231   -0.0039
            Y     0.0003   -0.0114    0.0018   -0.0026    0.0035    0.0023
            Z    -0.0155    0.0057   -0.0042    0.0064    0.0229    0.0111
 AT. 121 O  X     0.0163   -0.0024    0.0062   -0.0095   -0.0231   -0.0039
            Y    -0.0003    0.0114    0.0018   -0.0026   -0.0035   -0.0023
            Z    -0.0155    0.0057    0.0042   -0.0064    0.0229    0.0111
 AT. 122 O  X     0.0163   -0.0024   -0.0062   -0.0095    0.0231   -0.0039
            Y    -0.0003    0.0114   -0.0018   -0.0026    0.0035   -0.0023
            Z     0.0155   -0.0057    0.0042    0.0064    0.0229   -0.0111
 AT. 123 O  X     0.0163    0.0024   -0.0062   -0.0095   -0.0231   -0.0039
            Y     0.0003    0.0114    0.0018    0.0026    0.0035    0.0023
            Z     0.0155    0.0057    0.0042    0.0064   -0.0229   -0.0111
 AT. 124 O  X     0.0163    0.0024    0.0062   -0.0095    0.0231   -0.0039
            Y     0.0003    0.0114   -0.0018    0.0026   -0.0035    0.0023
            Z    -0.0155   -0.0057    0.0042   -0.0064   -0.0229    0.0111

 FREQ(CM**-1)    175.37    175.94    175.96    177.37    177.89    179.19

 AT.   1 SI X     0.0046   -0.0018   -0.0084   -0.0090    0.0009    0.0013
            Y    -0.0030    0.0036   -0.0017    0.0037    0.0059    0.0036
            Z    -0.0064    0.0025    0.0013    0.0051   -0.0013   -0.0116
 AT.   2 SI X    -0.0046   -0.0018    0.0084   -0.0090    0.0009   -0.0013
            Y     0.0030    0.0036    0.0017    0.0037    0.0059   -0.0036
            Z    -0.0064   -0.0025    0.0013   -0.0051    0.0013   -0.0116
 AT.   3 SI X    -0.0046   -0.0018    0.0084    0.0090    0.0009    0.0013
            Y    -0.0030   -0.0036   -0.0017    0.0037   -0.0059   -0.0036
            Z    -0.0064   -0.0025    0.0013    0.0051    0.0013    0.0116
 AT.   4 SI X     0.0046   -0.0018   -0.0084    0.0090    0.0009   -0.0013
            Y     0.0030   -0.0036    0.0017    0.0037   -0.0059    0.0036
            Z    -0.0064    0.0025    0.0013   -0.0051   -0.0013    0.0116
 AT.   5 SI X     0.0046    0.0018    0.0084    0.0090    0.0009    0.0013
            Y    -0.0030   -0.0036    0.0017   -0.0037    0.0059    0.0036
            Z    -0.0064   -0.0025   -0.0013   -0.0051   -0.0013   -0.0116
 AT.   6 SI X    -0.0046    0.0018   -0.0084    0.0090    0.0009   -0.0013
            Y     0.0030   -0.0036   -0.0017   -0.0037    0.0059   -0.0036
            Z    -0.0064    0.0025   -0.0013    0.0051    0.0013   -0.0116
 AT.   7 SI X    -0.0046    0.0018   -0.0084   -0.0090    0.0009    0.0013
            Y    -0.0030    0.0036    0.0017   -0.0037   -0.0059   -0.0036
            Z    -0.0064    0.0025   -0.0013   -0.0051    0.0013    0.0116
 AT.   8 SI X     0.0046    0.0018    0.0084   -0.0090    0.0009   -0.0013
            Y     0.0030    0.0036   -0.0017   -0.0037   -0.0059    0.0036
            Z    -0.0064   -0.0025   -0.0013    0.0051   -0.0013    0.0116
 AT.   9 SI X    -0.0036   -0.0004    0.0033    0.0071   -0.0011    0.0046
            Y    -0.0070    0.0015    0.0045   -0.0012    0.0080   -0.0058
            Z    -0.0008    0.0023    0.0064    0.0047    0.0060   -0.0064
 AT.  10 SI X     0.0036   -0.0004   -0.0033    0.0071   -0.0011   -0.0046
            Y     0.0070    0.0015   -0.0045   -0.0012    0.0080    0.0058
            Z    -0.0008   -0.0023    0.0064   -0.0047   -0.0060   -0.0064
 AT.  11 SI X     0.0036   -0.0004   -0.0033   -0.0071   -0.0011    0.0046
            Y    -0.0070   -0.0015    0.0045   -0.0012   -0.0080    0.0058
            Z    -0.0008   -0.0023    0.0064    0.0047   -0.0060    0.0064
 AT.  12 SI X    -0.0036   -0.0004    0.0033   -0.0071   -0.0011   -0.0046
            Y     0.0070   -0.0015   -0.0045   -0.0012   -0.0080   -0.0058
            Z    -0.0008    0.0023    0.0064   -0.0047    0.0060    0.0064
 AT.  13 SI X    -0.0036    0.0004   -0.0033   -0.0071   -0.0011    0.0046
            Y    -0.0070   -0.0015   -0.0045    0.0012    0.0080   -0.0058
            Z    -0.0008   -0.0023   -0.0064   -0.0047    0.0060   -0.0064
 AT.  14 SI X     0.0036    0.0004    0.0033   -0.0071   -0.0011   -0.0046
            Y     0.0070   -0.0015    0.0045    0.0012    0.0080    0.0058
            Z    -0.0008    0.0023   -0.0064    0.0047   -0.0060   -0.0064
 AT.  15 SI X     0.0036    0.0004    0.0033    0.0071   -0.0011    0.0046
            Y    -0.0070    0.0015   -0.0045    0.0012   -0.0080    0.0058
            Z    -0.0008    0.0023   -0.0064   -0.0047   -0.0060    0.0064
 AT.  16 SI X    -0.0036    0.0004   -0.0033    0.0071   -0.0011   -0.0046
            Y     0.0070    0.0015    0.0045    0.0012   -0.0080   -0.0058
            Z    -0.0008   -0.0023   -0.0064    0.0047    0.0060    0.0064
 AT.  17 SI X     0.0029   -0.0069    0.0139    0.0000    0.0113    0.0000
            Y     0.0000    0.0000    0.0000    0.0118    0.0000   -0.0084
            Z    -0.0014   -0.0028    0.0033    0.0000    0.0069    0.0000
 AT.  18 SI X    -0.0029   -0.0069   -0.0139    0.0000    0.0113    0.0000
            Y     0.0000    0.0000    0.0000    0.0118    0.0000    0.0084
            Z    -0.0014    0.0028    0.0033    0.0000   -0.0069    0.0000
 AT.  19 SI X     0.0029    0.0069   -0.0139    0.0000    0.0113    0.0000
            Y     0.0000    0.0000    0.0000   -0.0118    0.0000   -0.0084
            Z    -0.0014    0.0028   -0.0033    0.0000    0.0069    0.0000
 AT.  20 SI X    -0.0029    0.0069    0.0139    0.0000    0.0113    0.0000
            Y     0.0000    0.0000    0.0000   -0.0118    0.0000    0.0084
            Z    -0.0014   -0.0028   -0.0033    0.0000   -0.0069    0.0000
 AT.  21 CA X    -0.0225    0.0279   -0.0133   -0.0243   -0.0004   -0.0028
            Y     0.0043   -0.0060    0.0045    0.0081   -0.0008   -0.0033
            Z    -0.0100    0.0043    0.0019    0.0035    0.0058   -0.0065
 AT.  22 CA X     0.0225    0.0279    0.0133   -0.0243   -0.0004    0.0028
            Y    -0.0043   -0.0060   -0.0045    0.0081   -0.0008    0.0033
            Z    -0.0100   -0.0043    0.0019   -0.0035   -0.0058   -0.0065
 AT.  23 CA X     0.0225    0.0279    0.0133    0.0243   -0.0004   -0.0028
            Y     0.0043    0.0060    0.0045    0.0081    0.0008    0.0033
            Z    -0.0100   -0.0043    0.0019    0.0035   -0.0058    0.0065
 AT.  24 CA X    -0.0225    0.0279   -0.0133    0.0243   -0.0004    0.0028
            Y    -0.0043    0.0060   -0.0045    0.0081    0.0008   -0.0033
            Z    -0.0100    0.0043    0.0019   -0.0035    0.0058    0.0065
 AT.  25 CA X    -0.0225   -0.0279    0.0133    0.0243   -0.0004   -0.0028
            Y     0.0043    0.0060   -0.0045   -0.0081   -0.0008   -0.0033
            Z    -0.0100   -0.0043   -0.0019   -0.0035    0.0058   -0.0065
 AT.  26 CA X     0.0225   -0.0279   -0.0133    0.0243   -0.0004    0.0028
            Y    -0.0043    0.0060    0.0045   -0.0081   -0.0008    0.0033
            Z    -0.0100    0.0043   -0.0019    0.0035   -0.0058   -0.0065
 AT.  27 CA X     0.0225   -0.0279   -0.0133   -0.0243   -0.0004   -0.0028
            Y     0.0043   -0.0060   -0.0045   -0.0081    0.0008    0.0033
            Z    -0.0100    0.0043   -0.0019   -0.0035   -0.0058    0.0065
 AT.  28 CA X    -0.0225   -0.0279    0.0133   -0.0243   -0.0004    0.0028
            Y    -0.0043   -0.0060    0.0045   -0.0081    0.0008   -0.0033
            Z    -0.0100   -0.0043   -0.0019    0.0035    0.0058    0.0065
 AT.  29 CA X    -0.0124    0.0000    0.0000    0.0000    0.0016   -0.0120
            Y     0.0121    0.0000    0.0000    0.0000    0.0117    0.0064
            Z    -0.0012    0.0000    0.0000    0.0000   -0.0038    0.0057
 AT.  30 CA X     0.0124    0.0000    0.0000    0.0000    0.0016    0.0120
            Y    -0.0121    0.0000    0.0000    0.0000    0.0117   -0.0064
            Z    -0.0012    0.0000    0.0000    0.0000    0.0038    0.0057
 AT.  31 CA X     0.0124    0.0000    0.0000    0.0000    0.0016   -0.0120
            Y     0.0121    0.0000    0.0000    0.0000   -0.0117   -0.0064
            Z    -0.0012    0.0000    0.0000    0.0000    0.0038   -0.0057
 AT.  32 CA X    -0.0124    0.0000    0.0000    0.0000    0.0016    0.0120
            Y    -0.0121    0.0000    0.0000    0.0000   -0.0117    0.0064
            Z    -0.0012    0.0000    0.0000    0.0000   -0.0038   -0.0057
 AT.  33 CA X     0.0079    0.0162   -0.0064    0.0076    0.0004    0.0178
            Y     0.0036   -0.0019    0.0016   -0.0047    0.0118   -0.0008
            Z     0.0111    0.0055   -0.0005    0.0123    0.0008    0.0100
 AT.  34 CA X    -0.0079    0.0162    0.0064    0.0076    0.0004   -0.0178
            Y    -0.0036   -0.0019   -0.0016   -0.0047    0.0118    0.0008
            Z     0.0111   -0.0055   -0.0005   -0.0123   -0.0008    0.0100
 AT.  35 CA X    -0.0079    0.0162    0.0064   -0.0076    0.0004    0.0178
            Y     0.0036    0.0019    0.0016   -0.0047   -0.0118    0.0008
            Z     0.0111   -0.0055   -0.0005    0.0123   -0.0008   -0.0100
 AT.  36 CA X     0.0079    0.0162   -0.0064   -0.0076    0.0004   -0.0178
            Y    -0.0036    0.0019   -0.0016   -0.0047   -0.0118   -0.0008
            Z     0.0111    0.0055   -0.0005   -0.0123    0.0008   -0.0100
 AT.  37 CA X     0.0079   -0.0162    0.0064   -0.0076    0.0004    0.0178
            Y     0.0036    0.0019   -0.0016    0.0047    0.0118   -0.0008
            Z     0.0111   -0.0055    0.0005   -0.0123    0.0008    0.0100
 AT.  38 CA X    -0.0079   -0.0162   -0.0064   -0.0076    0.0004   -0.0178
            Y    -0.0036    0.0019    0.0016    0.0047    0.0118    0.0008
            Z     0.0111    0.0055    0.0005    0.0123   -0.0008    0.0100
 AT.  39 CA X    -0.0079   -0.0162   -0.0064    0.0076    0.0004    0.0178
            Y     0.0036   -0.0019   -0.0016    0.0047   -0.0118    0.0008
            Z     0.0111    0.0055    0.0005   -0.0123   -0.0008   -0.0100
 AT.  40 CA X     0.0079   -0.0162    0.0064    0.0076    0.0004   -0.0178
            Y    -0.0036   -0.0019    0.0016    0.0047   -0.0118   -0.0008
            Z     0.0111   -0.0055    0.0005    0.0123    0.0008   -0.0100
 AT.  41 CA X     0.0086    0.0176    0.0096    0.0046    0.0020   -0.0012
            Y    -0.0075   -0.0054    0.0014    0.0074    0.0104    0.0109
            Z     0.0039    0.0046   -0.0035   -0.0012   -0.0134   -0.0214
 AT.  42 CA X    -0.0086    0.0176   -0.0096    0.0046    0.0020    0.0012
            Y     0.0075   -0.0054   -0.0014    0.0074    0.0104   -0.0109
            Z     0.0039   -0.0046   -0.0035    0.0012    0.0134   -0.0214
 AT.  43 CA X    -0.0086    0.0176   -0.0096   -0.0046    0.0020   -0.0012
            Y    -0.0075    0.0054    0.0014    0.0074   -0.0104   -0.0109
            Z     0.0039   -0.0046   -0.0035   -0.0012    0.0134    0.0214
 AT.  44 CA X     0.0086    0.0176    0.0096   -0.0046    0.0020    0.0012
            Y     0.0075    0.0054   -0.0014    0.0074   -0.0104    0.0109
            Z     0.0039    0.0046   -0.0035    0.0012   -0.0134    0.0214
 AT.  45 CA X     0.0086   -0.0176   -0.0096   -0.0046    0.0020   -0.0012
            Y    -0.0075    0.0054   -0.0014   -0.0074    0.0104    0.0109
            Z     0.0039   -0.0046    0.0035    0.0012   -0.0134   -0.0214
 AT.  46 CA X    -0.0086   -0.0176    0.0096   -0.0046    0.0020    0.0012
            Y     0.0075    0.0054    0.0014   -0.0074    0.0104   -0.0109
            Z     0.0039    0.0046    0.0035   -0.0012    0.0134   -0.0214
 AT.  47 CA X    -0.0086   -0.0176    0.0096    0.0046    0.0020   -0.0012
            Y    -0.0075   -0.0054   -0.0014   -0.0074   -0.0104   -0.0109
            Z     0.0039    0.0046    0.0035    0.0012    0.0134    0.0214
 AT.  48 CA X     0.0086   -0.0176   -0.0096    0.0046    0.0020    0.0012
            Y     0.0075   -0.0054    0.0014   -0.0074   -0.0104    0.0109
            Z     0.0039   -0.0046    0.0035   -0.0012   -0.0134    0.0214
 AT.  49 CA X     0.0121   -0.0133   -0.0329    0.0000   -0.0331    0.0000
            Y     0.0000    0.0000    0.0000   -0.0103    0.0000    0.0136
            Z     0.0257   -0.0190   -0.0279    0.0000   -0.0279    0.0000
 AT.  50 CA X    -0.0121   -0.0133    0.0329    0.0000   -0.0331    0.0000
            Y     0.0000    0.0000    0.0000   -0.0103    0.0000   -0.0136
            Z     0.0257    0.0190   -0.0279    0.0000    0.0279    0.0000
 AT.  51 CA X     0.0121    0.0133    0.0329    0.0000   -0.0331    0.0000
            Y     0.0000    0.0000    0.0000    0.0103    0.0000    0.0136
            Z     0.0257    0.0190    0.0279    0.0000   -0.0279    0.0000
 AT.  52 CA X    -0.0121    0.0133   -0.0329    0.0000   -0.0331    0.0000
            Y     0.0000    0.0000    0.0000    0.0103    0.0000   -0.0136
            Z     0.0257   -0.0190    0.0279    0.0000    0.0279    0.0000
 AT.  53 O  X    -0.0057    0.0072   -0.0117   -0.0119    0.0017    0.0040
            Y     0.0015   -0.0007   -0.0004    0.0040    0.0063    0.0030
            Z    -0.0083    0.0015    0.0023    0.0107   -0.0002   -0.0045
 AT.  54 O  X     0.0057    0.0072    0.0117   -0.0119    0.0017   -0.0040
            Y    -0.0015   -0.0007    0.0004    0.0040    0.0063   -0.0030
            Z    -0.0083   -0.0015    0.0023   -0.0107    0.0002   -0.0045
 AT.  55 O  X     0.0057    0.0072    0.0117    0.0119    0.0017    0.0040
            Y     0.0015    0.0007   -0.0004    0.0040   -0.0063   -0.0030
            Z    -0.0083   -0.0015    0.0023    0.0107    0.0002    0.0045
 AT.  56 O  X    -0.0057    0.0072   -0.0117    0.0119    0.0017   -0.0040
            Y    -0.0015    0.0007    0.0004    0.0040   -0.0063    0.0030
            Z    -0.0083    0.0015    0.0023   -0.0107   -0.0002    0.0045
 AT.  57 O  X    -0.0057   -0.0072    0.0117    0.0119    0.0017    0.0040
            Y     0.0015    0.0007    0.0004   -0.0040    0.0063    0.0030
            Z    -0.0083   -0.0015   -0.0023   -0.0107   -0.0002   -0.0045
 AT.  58 O  X     0.0057   -0.0072   -0.0117    0.0119    0.0017   -0.0040
            Y    -0.0015    0.0007   -0.0004   -0.0040    0.0063   -0.0030
            Z    -0.0083    0.0015   -0.0023    0.0107    0.0002   -0.0045
 AT.  59 O  X     0.0057   -0.0072   -0.0117   -0.0119    0.0017    0.0040
            Y     0.0015   -0.0007    0.0004   -0.0040   -0.0063   -0.0030
            Z    -0.0083    0.0015   -0.0023   -0.0107    0.0002    0.0045
 AT.  60 O  X    -0.0057   -0.0072    0.0117   -0.0119    0.0017   -0.0040
            Y    -0.0015   -0.0007   -0.0004   -0.0040   -0.0063    0.0030
            Z    -0.0083   -0.0015   -0.0023    0.0107   -0.0002    0.0045
 AT.  61 O  X     0.0116    0.0014   -0.0060   -0.0108   -0.0016    0.0008
            Y    -0.0015    0.0029   -0.0022    0.0079    0.0065    0.0081
            Z    -0.0044    0.0047    0.0021    0.0013   -0.0036   -0.0136
 AT.  62 O  X    -0.0116    0.0014    0.0060   -0.0108   -0.0016   -0.0008
            Y     0.0015    0.0029    0.0022    0.0079    0.0065   -0.0081
            Z    -0.0044   -0.0047    0.0021   -0.0013    0.0036   -0.0136
 AT.  63 O  X    -0.0116    0.0014    0.0060    0.0108   -0.0016    0.0008
            Y    -0.0015   -0.0029   -0.0022    0.0079   -0.0065   -0.0081
            Z    -0.0044   -0.0047    0.0021    0.0013    0.0036    0.0136
 AT.  64 O  X     0.0116    0.0014   -0.0060    0.0108   -0.0016   -0.0008
            Y     0.0015   -0.0029    0.0022    0.0079   -0.0065    0.0081
            Z    -0.0044    0.0047    0.0021   -0.0013   -0.0036    0.0136
 AT.  65 O  X     0.0116   -0.0014    0.0060    0.0108   -0.0016    0.0008
            Y    -0.0015   -0.0029    0.0022   -0.0079    0.0065    0.0081
            Z    -0.0044   -0.0047   -0.0021   -0.0013   -0.0036   -0.0136
 AT.  66 O  X    -0.0116   -0.0014   -0.0060    0.0108   -0.0016   -0.0008
            Y     0.0015   -0.0029   -0.0022   -0.0079    0.0065   -0.0081
            Z    -0.0044    0.0047   -0.0021    0.0013    0.0036   -0.0136
 AT.  67 O  X    -0.0116   -0.0014   -0.0060   -0.0108   -0.0016    0.0008
            Y    -0.0015    0.0029    0.0022   -0.0079   -0.0065   -0.0081
            Z    -0.0044    0.0047   -0.0021   -0.0013    0.0036    0.0136
 AT.  68 O  X     0.0116   -0.0014    0.0060   -0.0108   -0.0016   -0.0008
            Y     0.0015    0.0029   -0.0022   -0.0079   -0.0065    0.0081
            Z    -0.0044   -0.0047   -0.0021    0.0013   -0.0036    0.0136
 AT.  69 O  X     0.0023   -0.0087   -0.0029   -0.0007    0.0005   -0.0015
            Y    -0.0005    0.0024   -0.0025   -0.0054    0.0068   -0.0018
            Z    -0.0057    0.0049   -0.0011   -0.0034   -0.0004   -0.0119
 AT.  70 O  X    -0.0023   -0.0087    0.0029   -0.0007    0.0005    0.0015
            Y     0.0005    0.0024    0.0025   -0.0054    0.0068    0.0018
            Z    -0.0057   -0.0049   -0.0011    0.0034    0.0004   -0.0119
 AT.  71 O  X    -0.0023   -0.0087    0.0029    0.0007    0.0005   -0.0015
            Y    -0.0005   -0.0024   -0.0025   -0.0054   -0.0068    0.0018
            Z    -0.0057   -0.0049   -0.0011   -0.0034    0.0004    0.0119
 AT.  72 O  X     0.0023   -0.0087   -0.0029    0.0007    0.0005    0.0015
            Y     0.0005   -0.0024    0.0025   -0.0054   -0.0068   -0.0018
            Z    -0.0057    0.0049   -0.0011    0.0034   -0.0004    0.0119
 AT.  73 O  X     0.0023    0.0087    0.0029    0.0007    0.0005   -0.0015
            Y    -0.0005   -0.0024    0.0025    0.0054    0.0068   -0.0018
            Z    -0.0057   -0.0049    0.0011    0.0034   -0.0004   -0.0119
 AT.  74 O  X    -0.0023    0.0087   -0.0029    0.0007    0.0005    0.0015
            Y     0.0005   -0.0024   -0.0025    0.0054    0.0068    0.0018
            Z    -0.0057    0.0049    0.0011   -0.0034    0.0004   -0.0119
 AT.  75 O  X    -0.0023    0.0087   -0.0029   -0.0007    0.0005   -0.0015
            Y    -0.0005    0.0024    0.0025    0.0054   -0.0068    0.0018
            Z    -0.0057    0.0049    0.0011    0.0034    0.0004    0.0119
 AT.  76 O  X     0.0023    0.0087    0.0029   -0.0007    0.0005    0.0015
            Y     0.0005    0.0024   -0.0025    0.0054   -0.0068   -0.0018
            Z    -0.0057   -0.0049    0.0011   -0.0034   -0.0004    0.0119
 AT.  77 O  X     0.0042   -0.0009   -0.0084   -0.0089    0.0006    0.0010
            Y    -0.0079    0.0049   -0.0045   -0.0014    0.0094    0.0072
            Z    -0.0093    0.0026    0.0025    0.0070    0.0001   -0.0022
 AT.  78 O  X    -0.0042   -0.0009    0.0084   -0.0089    0.0006   -0.0010
            Y     0.0079    0.0049    0.0045   -0.0014    0.0094   -0.0072
            Z    -0.0093   -0.0026    0.0025   -0.0070   -0.0001   -0.0022
 AT.  79 O  X    -0.0042   -0.0009    0.0084    0.0089    0.0006    0.0010
            Y    -0.0079   -0.0049   -0.0045   -0.0014   -0.0094   -0.0072
            Z    -0.0093   -0.0026    0.0025    0.0070   -0.0001    0.0022
 AT.  80 O  X     0.0042   -0.0009   -0.0084    0.0089    0.0006   -0.0010
            Y     0.0079   -0.0049    0.0045   -0.0014   -0.0094    0.0072
            Z    -0.0093    0.0026    0.0025   -0.0070    0.0001    0.0022
 AT.  81 O  X     0.0042    0.0009    0.0084    0.0089    0.0006    0.0010
            Y    -0.0079   -0.0049    0.0045    0.0014    0.0094    0.0072
            Z    -0.0093   -0.0026   -0.0025   -0.0070    0.0001   -0.0022
 AT.  82 O  X    -0.0042    0.0009   -0.0084    0.0089    0.0006   -0.0010
            Y     0.0079   -0.0049   -0.0045    0.0014    0.0094   -0.0072
            Z    -0.0093    0.0026   -0.0025    0.0070   -0.0001   -0.0022
 AT.  83 O  X    -0.0042    0.0009   -0.0084   -0.0089    0.0006    0.0010
            Y    -0.0079    0.0049    0.0045    0.0014   -0.0094   -0.0072
            Z    -0.0093    0.0026   -0.0025   -0.0070   -0.0001    0.0022
 AT.  84 O  X     0.0042    0.0009    0.0084   -0.0089    0.0006   -0.0010
            Y     0.0079    0.0049   -0.0045    0.0014   -0.0094    0.0072
            Z    -0.0093   -0.0026   -0.0025    0.0070    0.0001    0.0022
 AT.  85 O  X    -0.0112    0.0018   -0.0008    0.0011   -0.0008    0.0078
            Y    -0.0154   -0.0022    0.0138   -0.0112    0.0073   -0.0026
            Z     0.0005    0.0064    0.0002    0.0077    0.0076   -0.0056
 AT.  86 O  X     0.0112    0.0018    0.0008    0.0011   -0.0008   -0.0078
            Y     0.0154   -0.0022   -0.0138   -0.0112    0.0073    0.0026
            Z     0.0005   -0.0064    0.0002   -0.0077   -0.0076   -0.0056
 AT.  87 O  X     0.0112    0.0018    0.0008   -0.0011   -0.0008    0.0078
            Y    -0.0154    0.0022    0.0138   -0.0112   -0.0073    0.0026
            Z     0.0005   -0.0064    0.0002    0.0077   -0.0076    0.0056
 AT.  88 O  X    -0.0112    0.0018   -0.0008   -0.0011   -0.0008   -0.0078
            Y     0.0154    0.0022   -0.0138   -0.0112   -0.0073   -0.0026
            Z     0.0005    0.0064    0.0002   -0.0077    0.0076    0.0056
 AT.  89 O  X    -0.0112   -0.0018    0.0008   -0.0011   -0.0008    0.0078
            Y    -0.0154    0.0022   -0.0138    0.0112    0.0073   -0.0026
            Z     0.0005   -0.0064   -0.0002   -0.0077    0.0076   -0.0056
 AT.  90 O  X     0.0112   -0.0018   -0.0008   -0.0011   -0.0008   -0.0078
            Y     0.0154    0.0022    0.0138    0.0112    0.0073    0.0026
            Z     0.0005    0.0064   -0.0002    0.0077   -0.0076   -0.0056
 AT.  91 O  X     0.0112   -0.0018   -0.0008    0.0011   -0.0008    0.0078
            Y    -0.0154   -0.0022   -0.0138    0.0112   -0.0073    0.0026
            Z     0.0005    0.0064   -0.0002   -0.0077   -0.0076    0.0056
 AT.  92 O  X    -0.0112   -0.0018    0.0008    0.0011   -0.0008   -0.0078
            Y     0.0154   -0.0022    0.0138    0.0112   -0.0073   -0.0026
            Z     0.0005   -0.0064   -0.0002    0.0077    0.0076    0.0056
 AT.  93 O  X    -0.0068    0.0067    0.0132    0.0044    0.0051   -0.0025
            Y    -0.0047   -0.0012   -0.0004    0.0013    0.0066   -0.0016
            Z    -0.0118   -0.0016    0.0238   -0.0072    0.0093   -0.0038
 AT.  94 O  X     0.0068    0.0067   -0.0132    0.0044    0.0051    0.0025
            Y     0.0047   -0.0012    0.0004    0.0013    0.0066    0.0016
            Z    -0.0118    0.0016    0.0238    0.0072   -0.0093   -0.0038
 AT.  95 O  X     0.0068    0.0067   -0.0132   -0.0044    0.0051   -0.0025
            Y    -0.0047    0.0012   -0.0004    0.0013   -0.0066    0.0016
            Z    -0.0118    0.0016    0.0238   -0.0072   -0.0093    0.0038
 AT.  96 O  X    -0.0068    0.0067    0.0132   -0.0044    0.0051    0.0025
            Y     0.0047    0.0012    0.0004    0.0013   -0.0066   -0.0016
            Z    -0.0118   -0.0016    0.0238    0.0072    0.0093    0.0038
 AT.  97 O  X    -0.0068   -0.0067   -0.0132   -0.0044    0.0051   -0.0025
            Y    -0.0047    0.0012    0.0004   -0.0013    0.0066   -0.0016
            Z    -0.0118    0.0016   -0.0238    0.0072    0.0093   -0.0038
 AT.  98 O  X     0.0068   -0.0067    0.0132   -0.0044    0.0051    0.0025
            Y     0.0047    0.0012   -0.0004   -0.0013    0.0066    0.0016
            Z    -0.0118   -0.0016   -0.0238   -0.0072   -0.0093   -0.0038
 AT.  99 O  X     0.0068   -0.0067    0.0132    0.0044    0.0051   -0.0025
            Y    -0.0047   -0.0012    0.0004   -0.0013   -0.0066    0.0016
            Z    -0.0118   -0.0016   -0.0238    0.0072   -0.0093    0.0038
 AT. 100 O  X    -0.0068   -0.0067   -0.0132    0.0044    0.0051    0.0025
            Y     0.0047   -0.0012   -0.0004   -0.0013   -0.0066   -0.0016
            Z    -0.0118    0.0016   -0.0238   -0.0072    0.0093    0.0038
 AT. 101 O  X     0.0012   -0.0052    0.0110    0.0121    0.0019   -0.0034
            Y     0.0055    0.0085   -0.0016    0.0102    0.0116   -0.0083
            Z     0.0060    0.0066   -0.0011    0.0117    0.0086   -0.0053
 AT. 102 O  X    -0.0012   -0.0052   -0.0110    0.0121    0.0019    0.0034
            Y    -0.0055    0.0085    0.0016    0.0102    0.0116    0.0083
            Z     0.0060   -0.0066   -0.0011   -0.0117   -0.0086   -0.0053
 AT. 103 O  X    -0.0012   -0.0052   -0.0110   -0.0121    0.0019   -0.0034
            Y     0.0055   -0.0085   -0.0016    0.0102   -0.0116    0.0083
            Z     0.0060   -0.0066   -0.0011    0.0117   -0.0086    0.0053
 AT. 104 O  X     0.0012   -0.0052    0.0110   -0.0121    0.0019    0.0034
            Y    -0.0055   -0.0085    0.0016    0.0102   -0.0116   -0.0083
            Z     0.0060    0.0066   -0.0011   -0.0117    0.0086    0.0053
 AT. 105 O  X     0.0012    0.0052   -0.0110   -0.0121    0.0019   -0.0034
            Y     0.0055   -0.0085    0.0016   -0.0102    0.0116   -0.0083
            Z     0.0060   -0.0066    0.0011   -0.0117    0.0086   -0.0053
 AT. 106 O  X    -0.0012    0.0052    0.0110   -0.0121    0.0019    0.0034
            Y    -0.0055   -0.0085   -0.0016   -0.0102    0.0116    0.0083
            Z     0.0060    0.0066    0.0011    0.0117   -0.0086   -0.0053
 AT. 107 O  X    -0.0012    0.0052    0.0110    0.0121    0.0019   -0.0034
            Y     0.0055    0.0085    0.0016   -0.0102   -0.0116    0.0083
            Z     0.0060    0.0066    0.0011   -0.0117   -0.0086    0.0053
 AT. 108 O  X     0.0012    0.0052   -0.0110    0.0121    0.0019    0.0034
            Y    -0.0055    0.0085   -0.0016   -0.0102   -0.0116   -0.0083
            Z     0.0060   -0.0066    0.0011    0.0117    0.0086    0.0053
 AT. 109 O  X    -0.0037    0.0000    0.0040    0.0075   -0.0011    0.0045
            Y    -0.0076    0.0049    0.0089   -0.0042    0.0105   -0.0074
            Z     0.0083    0.0063    0.0044    0.0081    0.0056   -0.0016
 AT. 110 O  X     0.0037    0.0000   -0.0040    0.0075   -0.0011   -0.0045
            Y     0.0076    0.0049   -0.0089   -0.0042    0.0105    0.0074
            Z     0.0083   -0.0063    0.0044   -0.0081   -0.0056   -0.0016
 AT. 111 O  X     0.0037    0.0000   -0.0040   -0.0075   -0.0011    0.0045
            Y    -0.0076   -0.0049    0.0089   -0.0042   -0.0105    0.0074
            Z     0.0083   -0.0063    0.0044    0.0081   -0.0056    0.0016
 AT. 112 O  X    -0.0037    0.0000    0.0040   -0.0075   -0.0011   -0.0045
            Y     0.0076   -0.0049   -0.0089   -0.0042   -0.0105   -0.0074
            Z     0.0083    0.0063    0.0044   -0.0081    0.0056    0.0016
 AT. 113 O  X    -0.0037    0.0000   -0.0040   -0.0075   -0.0011    0.0045
            Y    -0.0076   -0.0049   -0.0089    0.0042    0.0105   -0.0074
            Z     0.0083   -0.0063   -0.0044   -0.0081    0.0056   -0.0016
 AT. 114 O  X     0.0037    0.0000    0.0040   -0.0075   -0.0011   -0.0045
            Y     0.0076   -0.0049    0.0089    0.0042    0.0105    0.0074
            Z     0.0083    0.0063   -0.0044    0.0081   -0.0056   -0.0016
 AT. 115 O  X     0.0037    0.0000    0.0040    0.0075   -0.0011    0.0045
            Y    -0.0076    0.0049   -0.0089    0.0042   -0.0105    0.0074
            Z     0.0083    0.0063   -0.0044   -0.0081   -0.0056    0.0016
 AT. 116 O  X    -0.0037    0.0000   -0.0040    0.0075   -0.0011   -0.0045
            Y     0.0076    0.0049    0.0089    0.0042   -0.0105   -0.0074
            Z     0.0083   -0.0063   -0.0044    0.0081    0.0056    0.0016
 AT. 117 O  X     0.0077    0.0031    0.0151    0.0218    0.0180   -0.0162
            Y    -0.0020    0.0045    0.0028    0.0087    0.0022   -0.0116
            Z    -0.0039   -0.0170   -0.0017   -0.0175   -0.0024    0.0205
 AT. 118 O  X    -0.0077    0.0031   -0.0151    0.0218    0.0180    0.0162
            Y     0.0020    0.0045   -0.0028    0.0087    0.0022    0.0116
            Z    -0.0039    0.0170   -0.0017    0.0175    0.0024    0.0205
 AT. 119 O  X    -0.0077    0.0031   -0.0151   -0.0218    0.0180   -0.0162
            Y    -0.0020   -0.0045    0.0028    0.0087   -0.0022    0.0116
            Z    -0.0039    0.0170   -0.0017   -0.0175    0.0024   -0.0205
 AT. 120 O  X     0.0077    0.0031    0.0151   -0.0218    0.0180    0.0162
            Y     0.0020   -0.0045   -0.0028    0.0087   -0.0022   -0.0116
            Z    -0.0039   -0.0170   -0.0017    0.0175   -0.0024   -0.0205
 AT. 121 O  X     0.0077   -0.0031   -0.0151   -0.0218    0.0180   -0.0162
            Y    -0.0020   -0.0045   -0.0028   -0.0087    0.0022   -0.0116
            Z    -0.0039    0.0170    0.0017    0.0175   -0.0024    0.0205
 AT. 122 O  X    -0.0077   -0.0031    0.0151   -0.0218    0.0180    0.0162
            Y     0.0020   -0.0045    0.0028   -0.0087    0.0022    0.0116
            Z    -0.0039   -0.0170    0.0017   -0.0175    0.0024    0.0205
 AT. 123 O  X    -0.0077   -0.0031    0.0151    0.0218    0.0180   -0.0162
            Y    -0.0020    0.0045   -0.0028   -0.0087   -0.0022    0.0116
            Z    -0.0039   -0.0170    0.0017    0.0175    0.0024   -0.0205
 AT. 124 O  X     0.0077   -0.0031   -0.0151    0.0218    0.0180    0.0162
            Y     0.0020    0.0045    0.0028   -0.0087   -0.0022   -0.0116
            Z    -0.0039    0.0170    0.0017   -0.0175   -0.0024   -0.0205

 FREQ(CM**-1)    180.01    180.39    180.55    181.02    182.78    182.96

 AT.   1 SI X    -0.0055   -0.0042    0.0002    0.0061   -0.0023   -0.0011
            Y    -0.0033   -0.0078    0.0022   -0.0097    0.0012   -0.0077
            Z     0.0115   -0.0002    0.0029   -0.0053    0.0028   -0.0020
 AT.   2 SI X    -0.0055   -0.0042    0.0002    0.0061    0.0023    0.0011
            Y    -0.0033   -0.0078    0.0022   -0.0097   -0.0012    0.0077
            Z    -0.0115    0.0002   -0.0029    0.0053    0.0028   -0.0020
 AT.   3 SI X    -0.0055    0.0042   -0.0002   -0.0061    0.0023   -0.0011
            Y     0.0033   -0.0078    0.0022   -0.0097    0.0012    0.0077
            Z    -0.0115   -0.0002    0.0029   -0.0053    0.0028    0.0020
 AT.   4 SI X    -0.0055    0.0042   -0.0002   -0.0061   -0.0023    0.0011
            Y     0.0033   -0.0078    0.0022   -0.0097   -0.0012   -0.0077
            Z     0.0115    0.0002   -0.0029    0.0053    0.0028    0.0020
 AT.   5 SI X     0.0055    0.0042    0.0002    0.0061   -0.0023   -0.0011
            Y     0.0033    0.0078    0.0022   -0.0097    0.0012   -0.0077
            Z    -0.0115    0.0002    0.0029   -0.0053    0.0028   -0.0020
 AT.   6 SI X     0.0055    0.0042    0.0002    0.0061    0.0023    0.0011
            Y     0.0033    0.0078    0.0022   -0.0097   -0.0012    0.0077
            Z     0.0115   -0.0002   -0.0029    0.0053    0.0028   -0.0020
 AT.   7 SI X     0.0055   -0.0042   -0.0002   -0.0061    0.0023   -0.0011
            Y    -0.0033    0.0078    0.0022   -0.0097    0.0012    0.0077
            Z     0.0115    0.0002    0.0029   -0.0053    0.0028    0.0020
 AT.   8 SI X     0.0055   -0.0042   -0.0002   -0.0061   -0.0023    0.0011
            Y    -0.0033    0.0078    0.0022   -0.0097   -0.0012   -0.0077
            Z    -0.0115   -0.0002   -0.0029    0.0053    0.0028    0.0020
 AT.   9 SI X    -0.0008   -0.0004   -0.0091    0.0008   -0.0063    0.0014
            Y    -0.0157    0.0167    0.0014    0.0015    0.0042    0.0127
            Z    -0.0076    0.0079    0.0059    0.0159   -0.0018    0.0095
 AT.  10 SI X    -0.0008   -0.0004   -0.0091    0.0008    0.0063   -0.0014
            Y    -0.0157    0.0167    0.0014    0.0015   -0.0042   -0.0127
            Z     0.0076   -0.0079   -0.0059   -0.0159   -0.0018    0.0095
 AT.  11 SI X    -0.0008    0.0004    0.0091   -0.0008    0.0063    0.0014
            Y     0.0157    0.0167    0.0014    0.0015    0.0042   -0.0127
            Z     0.0076    0.0079    0.0059    0.0159   -0.0018   -0.0095
 AT.  12 SI X    -0.0008    0.0004    0.0091   -0.0008   -0.0063   -0.0014
            Y     0.0157    0.0167    0.0014    0.0015   -0.0042    0.0127
            Z    -0.0076   -0.0079   -0.0059   -0.0159   -0.0018   -0.0095
 AT.  13 SI X     0.0008    0.0004   -0.0091    0.0008   -0.0063    0.0014
            Y     0.0157   -0.0167    0.0014    0.0015    0.0042    0.0127
            Z     0.0076   -0.0079    0.0059    0.0159   -0.0018    0.0095
 AT.  14 SI X     0.0008    0.0004   -0.0091    0.0008    0.0063   -0.0014
            Y     0.0157   -0.0167    0.0014    0.0015   -0.0042   -0.0127
            Z    -0.0076    0.0079   -0.0059   -0.0159   -0.0018    0.0095
 AT.  15 SI X     0.0008   -0.0004    0.0091   -0.0008    0.0063    0.0014
            Y    -0.0157   -0.0167    0.0014    0.0015    0.0042   -0.0127
            Z    -0.0076   -0.0079    0.0059    0.0159   -0.0018   -0.0095
 AT.  16 SI X     0.0008   -0.0004    0.0091   -0.0008   -0.0063   -0.0014
            Y    -0.0157   -0.0167    0.0014    0.0015   -0.0042    0.0127
            Z     0.0076    0.0079   -0.0059   -0.0159   -0.0018   -0.0095
 AT.  17 SI X     0.0036    0.0000    0.0000    0.0000   -0.0081    0.0000
            Y     0.0000    0.0131   -0.0060   -0.0005    0.0000    0.0162
            Z    -0.0057    0.0000    0.0000    0.0000   -0.0122    0.0000
 AT.  18 SI X     0.0036    0.0000    0.0000    0.0000    0.0081    0.0000
            Y     0.0000    0.0131   -0.0060   -0.0005    0.0000   -0.0162
            Z     0.0057    0.0000    0.0000    0.0000   -0.0122    0.0000
 AT.  19 SI X    -0.0036    0.0000    0.0000    0.0000   -0.0081    0.0000
            Y     0.0000   -0.0131   -0.0060   -0.0005    0.0000    0.0162
            Z     0.0057    0.0000    0.0000    0.0000   -0.0122    0.0000
 AT.  20 SI X    -0.0036    0.0000    0.0000    0.0000    0.0081    0.0000
            Y     0.0000   -0.0131   -0.0060   -0.0005    0.0000   -0.0162
            Z    -0.0057    0.0000    0.0000    0.0000   -0.0122    0.0000
 AT.  21 CA X    -0.0011    0.0039    0.0221   -0.0136    0.0177    0.0049
            Y     0.0058    0.0038   -0.0026    0.0031   -0.0023    0.0138
            Z    -0.0084    0.0049    0.0099   -0.0009    0.0141   -0.0036
 AT.  22 CA X    -0.0011    0.0039    0.0221   -0.0136   -0.0177   -0.0049
            Y     0.0058    0.0038   -0.0026    0.0031    0.0023   -0.0138
            Z     0.0084   -0.0049   -0.0099    0.0009    0.0141   -0.0036
 AT.  23 CA X    -0.0011   -0.0039   -0.0221    0.0136   -0.0177    0.0049
            Y    -0.0058    0.0038   -0.0026    0.0031   -0.0023   -0.0138
            Z     0.0084    0.0049    0.0099   -0.0009    0.0141    0.0036
 AT.  24 CA X    -0.0011   -0.0039   -0.0221    0.0136    0.0177   -0.0049
            Y    -0.0058    0.0038   -0.0026    0.0031    0.0023    0.0138
            Z    -0.0084   -0.0049   -0.0099    0.0009    0.0141    0.0036
 AT.  25 CA X     0.0011   -0.0039    0.0221   -0.0136    0.0177    0.0049
            Y    -0.0058   -0.0038   -0.0026    0.0031   -0.0023    0.0138
            Z     0.0084   -0.0049    0.0099   -0.0009    0.0141   -0.0036
 AT.  26 CA X     0.0011   -0.0039    0.0221   -0.0136   -0.0177   -0.0049
            Y    -0.0058   -0.0038   -0.0026    0.0031    0.0023   -0.0138
            Z    -0.0084    0.0049   -0.0099    0.0009    0.0141   -0.0036
 AT.  27 CA X     0.0011    0.0039   -0.0221    0.0136   -0.0177    0.0049
            Y     0.0058   -0.0038   -0.0026    0.0031   -0.0023   -0.0138
            Z    -0.0084   -0.0049    0.0099   -0.0009    0.0141    0.0036
 AT.  28 CA X     0.0011    0.0039   -0.0221    0.0136    0.0177   -0.0049
            Y     0.0058   -0.0038   -0.0026    0.0031    0.0023    0.0138
            Z     0.0084    0.0049   -0.0099    0.0009    0.0141    0.0036
 AT.  29 CA X     0.0000    0.0000    0.0303    0.0056    0.0060   -0.0109
            Y     0.0000    0.0000   -0.0022    0.0196    0.0132    0.0146
            Z     0.0000    0.0000   -0.0151   -0.0232   -0.0037   -0.0055
 AT.  30 CA X     0.0000    0.0000    0.0303    0.0056   -0.0060    0.0109
            Y     0.0000    0.0000   -0.0022    0.0196   -0.0132   -0.0146
            Z     0.0000    0.0000    0.0151    0.0232   -0.0037   -0.0055
 AT.  31 CA X     0.0000    0.0000   -0.0303   -0.0056   -0.0060   -0.0109
            Y     0.0000    0.0000   -0.0022    0.0196    0.0132   -0.0146
            Z     0.0000    0.0000   -0.0151   -0.0232   -0.0037    0.0055
 AT.  32 CA X     0.0000    0.0000   -0.0303   -0.0056    0.0060    0.0109
            Y     0.0000    0.0000   -0.0022    0.0196   -0.0132    0.0146
            Z     0.0000    0.0000    0.0151    0.0232   -0.0037    0.0055
 AT.  33 CA X     0.0007   -0.0146   -0.0182    0.0005    0.0032    0.0098
            Y     0.0161    0.0055   -0.0003   -0.0011   -0.0152   -0.0045
            Z     0.0221   -0.0112   -0.0076    0.0039   -0.0002    0.0177
 AT.  34 CA X     0.0007   -0.0146   -0.0182    0.0005   -0.0032   -0.0098
            Y     0.0161    0.0055   -0.0003   -0.0011    0.0152    0.0045
            Z    -0.0221    0.0112    0.0076   -0.0039   -0.0002    0.0177
 AT.  35 CA X     0.0007    0.0146    0.0182   -0.0005   -0.0032    0.0098
            Y    -0.0161    0.0055   -0.0003   -0.0011   -0.0152    0.0045
            Z    -0.0221   -0.0112   -0.0076    0.0039   -0.0002   -0.0177
 AT.  36 CA X     0.0007    0.0146    0.0182   -0.0005    0.0032   -0.0098
            Y    -0.0161    0.0055   -0.0003   -0.0011    0.0152   -0.0045
            Z     0.0221    0.0112    0.0076   -0.0039   -0.0002   -0.0177
 AT.  37 CA X    -0.0007    0.0146   -0.0182    0.0005    0.0032    0.0098
            Y    -0.0161   -0.0055   -0.0003   -0.0011   -0.0152   -0.0045
            Z    -0.0221    0.0112   -0.0076    0.0039   -0.0002    0.0177
 AT.  38 CA X    -0.0007    0.0146   -0.0182    0.0005   -0.0032   -0.0098
            Y    -0.0161   -0.0055   -0.0003   -0.0011    0.0152    0.0045
            Z     0.0221   -0.0112    0.0076   -0.0039   -0.0002    0.0177
 AT.  39 CA X    -0.0007   -0.0146    0.0182   -0.0005   -0.0032    0.0098
            Y     0.0161   -0.0055   -0.0003   -0.0011   -0.0152    0.0045
            Z     0.0221    0.0112   -0.0076    0.0039   -0.0002   -0.0177
 AT.  40 CA X    -0.0007   -0.0146    0.0182   -0.0005    0.0032   -0.0098
            Y     0.0161   -0.0055   -0.0003   -0.0011    0.0152   -0.0045
            Z    -0.0221   -0.0112    0.0076   -0.0039   -0.0002   -0.0177
 AT.  41 CA X     0.0056   -0.0012   -0.0108   -0.0014    0.0100   -0.0074
            Y    -0.0105   -0.0157    0.0065    0.0013   -0.0016    0.0083
            Z    -0.0016    0.0105    0.0000    0.0029   -0.0110   -0.0032
 AT.  42 CA X     0.0056   -0.0012   -0.0108   -0.0014   -0.0100    0.0074
            Y    -0.0105   -0.0157    0.0065    0.0013    0.0016   -0.0083
            Z     0.0016   -0.0105    0.0000   -0.0029   -0.0110   -0.0032
 AT.  43 CA X     0.0056    0.0012    0.0108    0.0014   -0.0100   -0.0074
            Y     0.0105   -0.0157    0.0065    0.0013   -0.0016   -0.0083
            Z     0.0016    0.0105    0.0000    0.0029   -0.0110    0.0032
 AT.  44 CA X     0.0056    0.0012    0.0108    0.0014    0.0100    0.0074
            Y     0.0105   -0.0157    0.0065    0.0013    0.0016    0.0083
            Z    -0.0016   -0.0105    0.0000   -0.0029   -0.0110    0.0032
 AT.  45 CA X    -0.0056    0.0012   -0.0108   -0.0014    0.0100   -0.0074
            Y     0.0105    0.0157    0.0065    0.0013   -0.0016    0.0083
            Z     0.0016   -0.0105    0.0000    0.0029   -0.0110   -0.0032
 AT.  46 CA X    -0.0056    0.0012   -0.0108   -0.0014   -0.0100    0.0074
            Y     0.0105    0.0157    0.0065    0.0013    0.0016   -0.0083
            Z    -0.0016    0.0105    0.0000   -0.0029   -0.0110   -0.0032
 AT.  47 CA X    -0.0056   -0.0012    0.0108    0.0014   -0.0100   -0.0074
            Y    -0.0105    0.0157    0.0065    0.0013   -0.0016   -0.0083
            Z    -0.0016   -0.0105    0.0000    0.0029   -0.0110    0.0032
 AT.  48 CA X    -0.0056   -0.0012    0.0108    0.0014    0.0100    0.0074
            Y    -0.0105    0.0157    0.0065    0.0013    0.0016    0.0083
            Z     0.0016    0.0105    0.0000   -0.0029   -0.0110    0.0032
 AT.  49 CA X     0.0129    0.0000    0.0000    0.0000    0.0073    0.0000
            Y     0.0000   -0.0063   -0.0087    0.0009    0.0000   -0.0144
            Z    -0.0060    0.0000    0.0000    0.0000    0.0247    0.0000
 AT.  50 CA X     0.0129    0.0000    0.0000    0.0000   -0.0073    0.0000
            Y     0.0000   -0.0063   -0.0087    0.0009    0.0000    0.0144
            Z     0.0060    0.0000    0.0000    0.0000    0.0247    0.0000
 AT.  51 CA X    -0.0129    0.0000    0.0000    0.0000    0.0073    0.0000
            Y     0.0000    0.0063   -0.0087    0.0009    0.0000   -0.0144
            Z     0.0060    0.0000    0.0000    0.0000    0.0247    0.0000
 AT.  52 CA X    -0.0129    0.0000    0.0000    0.0000   -0.0073    0.0000
            Y     0.0000    0.0063   -0.0087    0.0009    0.0000    0.0144
            Z    -0.0060    0.0000    0.0000    0.0000    0.0247    0.0000
 AT.  53 O  X    -0.0097   -0.0071    0.0059   -0.0060    0.0037   -0.0104
            Y    -0.0010   -0.0062   -0.0004   -0.0042   -0.0014   -0.0025
            Z     0.0112   -0.0022    0.0029   -0.0112   -0.0005   -0.0076
 AT.  54 O  X    -0.0097   -0.0071    0.0059   -0.0060   -0.0037    0.0104
            Y    -0.0010   -0.0062   -0.0004   -0.0042    0.0014    0.0025
            Z    -0.0112    0.0022   -0.0029    0.0112   -0.0005   -0.0076
 AT.  55 O  X    -0.0097    0.0071   -0.0059    0.0060   -0.0037   -0.0104
            Y     0.0010   -0.0062   -0.0004   -0.0042   -0.0014    0.0025
            Z    -0.0112   -0.0022    0.0029   -0.0112   -0.0005    0.0076
 AT.  56 O  X    -0.0097    0.0071   -0.0059    0.0060    0.0037    0.0104
            Y     0.0010   -0.0062   -0.0004   -0.0042    0.0014   -0.0025
            Z     0.0112    0.0022   -0.0029    0.0112   -0.0005    0.0076
 AT.  57 O  X     0.0097    0.0071    0.0059   -0.0060    0.0037   -0.0104
            Y     0.0010    0.0062   -0.0004   -0.0042   -0.0014   -0.0025
            Z    -0.0112    0.0022    0.0029   -0.0112   -0.0005   -0.0076
 AT.  58 O  X     0.0097    0.0071    0.0059   -0.0060   -0.0037    0.0104
            Y     0.0010    0.0062   -0.0004   -0.0042    0.0014    0.0025
            Z     0.0112   -0.0022   -0.0029    0.0112   -0.0005   -0.0076
 AT.  59 O  X     0.0097   -0.0071   -0.0059    0.0060   -0.0037   -0.0104
            Y    -0.0010    0.0062   -0.0004   -0.0042   -0.0014    0.0025
            Z     0.0112    0.0022    0.0029   -0.0112   -0.0005    0.0076
 AT.  60 O  X     0.0097   -0.0071   -0.0059    0.0060    0.0037    0.0104
            Y    -0.0010    0.0062   -0.0004   -0.0042    0.0014   -0.0025
            Z    -0.0112   -0.0022   -0.0029    0.0112   -0.0005    0.0076
 AT.  61 O  X    -0.0073   -0.0015   -0.0063    0.0129   -0.0081   -0.0002
            Y    -0.0001   -0.0099    0.0022   -0.0093   -0.0001   -0.0097
            Z     0.0079    0.0019   -0.0007   -0.0020   -0.0005   -0.0001
 AT.  62 O  X    -0.0073   -0.0015   -0.0063    0.0129    0.0081    0.0002
            Y    -0.0001   -0.0099    0.0022   -0.0093    0.0001    0.0097
            Z    -0.0079   -0.0019    0.0007    0.0020   -0.0005   -0.0001
 AT.  63 O  X    -0.0073    0.0015    0.0063   -0.0129    0.0081   -0.0002
            Y     0.0001   -0.0099    0.0022   -0.0093   -0.0001    0.0097
            Z    -0.0079    0.0019   -0.0007   -0.0020   -0.0005    0.0001
 AT.  64 O  X    -0.0073    0.0015    0.0063   -0.0129   -0.0081    0.0002
            Y     0.0001   -0.0099    0.0022   -0.0093    0.0001   -0.0097
            Z     0.0079   -0.0019    0.0007    0.0020   -0.0005    0.0001
 AT.  65 O  X     0.0073    0.0015   -0.0063    0.0129   -0.0081   -0.0002
            Y     0.0001    0.0099    0.0022   -0.0093   -0.0001   -0.0097
            Z    -0.0079   -0.0019   -0.0007   -0.0020   -0.0005   -0.0001
 AT.  66 O  X     0.0073    0.0015   -0.0063    0.0129    0.0081    0.0002
            Y     0.0001    0.0099    0.0022   -0.0093    0.0001    0.0097
            Z     0.0079    0.0019    0.0007    0.0020   -0.0005   -0.0001
 AT.  67 O  X     0.0073   -0.0015    0.0063   -0.0129    0.0081   -0.0002
            Y    -0.0001    0.0099    0.0022   -0.0093   -0.0001    0.0097
            Z     0.0079   -0.0019   -0.0007   -0.0020   -0.0005    0.0001
 AT.  68 O  X     0.0073   -0.0015    0.0063   -0.0129   -0.0081    0.0002
            Y    -0.0001    0.0099    0.0022   -0.0093    0.0001   -0.0097
            Z    -0.0079    0.0019    0.0007    0.0020   -0.0005    0.0001
 AT.  69 O  X    -0.0009   -0.0021    0.0042    0.0052    0.0005    0.0054
            Y    -0.0027   -0.0034    0.0017   -0.0019    0.0019    0.0035
            Z     0.0085    0.0010    0.0003   -0.0020    0.0016   -0.0002
 AT.  70 O  X    -0.0009   -0.0021    0.0042    0.0052   -0.0005   -0.0054
            Y    -0.0027   -0.0034    0.0017   -0.0019   -0.0019   -0.0035
            Z    -0.0085   -0.0010   -0.0003    0.0020    0.0016   -0.0002
 AT.  71 O  X    -0.0009    0.0021   -0.0042   -0.0052   -0.0005    0.0054
            Y     0.0027   -0.0034    0.0017   -0.0019    0.0019   -0.0035
            Z    -0.0085    0.0010    0.0003   -0.0020    0.0016    0.0002
 AT.  72 O  X    -0.0009    0.0021   -0.0042   -0.0052    0.0005   -0.0054
            Y     0.0027   -0.0034    0.0017   -0.0019   -0.0019    0.0035
            Z     0.0085   -0.0010   -0.0003    0.0020    0.0016    0.0002
 AT.  73 O  X     0.0009    0.0021    0.0042    0.0052    0.0005    0.0054
            Y     0.0027    0.0034    0.0017   -0.0019    0.0019    0.0035
            Z    -0.0085   -0.0010    0.0003   -0.0020    0.0016   -0.0002
 AT.  74 O  X     0.0009    0.0021    0.0042    0.0052   -0.0005   -0.0054
            Y     0.0027    0.0034    0.0017   -0.0019   -0.0019   -0.0035
            Z     0.0085    0.0010   -0.0003    0.0020    0.0016   -0.0002
 AT.  75 O  X     0.0009   -0.0021   -0.0042   -0.0052   -0.0005    0.0054
            Y    -0.0027    0.0034    0.0017   -0.0019    0.0019   -0.0035
            Z     0.0085   -0.0010    0.0003   -0.0020    0.0016    0.0002
 AT.  76 O  X     0.0009   -0.0021   -0.0042   -0.0052    0.0005   -0.0054
            Y    -0.0027    0.0034    0.0017   -0.0019   -0.0019    0.0035
            Z    -0.0085    0.0010   -0.0003    0.0020    0.0016    0.0002
 AT.  77 O  X    -0.0056   -0.0045    0.0009    0.0060   -0.0021   -0.0015
            Y    -0.0038   -0.0106    0.0037   -0.0129    0.0048   -0.0129
            Z     0.0106   -0.0037   -0.0013   -0.0091    0.0025    0.0013
 AT.  78 O  X    -0.0056   -0.0045    0.0009    0.0060    0.0021    0.0015
            Y    -0.0038   -0.0106    0.0037   -0.0129   -0.0048    0.0129
            Z    -0.0106    0.0037    0.0013    0.0091    0.0025    0.0013
 AT.  79 O  X    -0.0056    0.0045   -0.0009   -0.0060    0.0021   -0.0015
            Y     0.0038   -0.0106    0.0037   -0.0129    0.0048    0.0129
            Z    -0.0106   -0.0037   -0.0013   -0.0091    0.0025   -0.0013
 AT.  80 O  X    -0.0056    0.0045   -0.0009   -0.0060   -0.0021    0.0015
            Y     0.0038   -0.0106    0.0037   -0.0129   -0.0048   -0.0129
            Z     0.0106    0.0037    0.0013    0.0091    0.0025   -0.0013
 AT.  81 O  X     0.0056    0.0045    0.0009    0.0060   -0.0021   -0.0015
            Y     0.0038    0.0106    0.0037   -0.0129    0.0048   -0.0129
            Z    -0.0106    0.0037   -0.0013   -0.0091    0.0025    0.0013
 AT.  82 O  X     0.0056    0.0045    0.0009    0.0060    0.0021    0.0015
            Y     0.0038    0.0106    0.0037   -0.0129   -0.0048    0.0129
            Z     0.0106   -0.0037    0.0013    0.0091    0.0025    0.0013
 AT.  83 O  X     0.0056   -0.0045   -0.0009   -0.0060    0.0021   -0.0015
            Y    -0.0038    0.0106    0.0037   -0.0129    0.0048    0.0129
            Z     0.0106    0.0037   -0.0013   -0.0091    0.0025   -0.0013
 AT.  84 O  X     0.0056   -0.0045   -0.0009   -0.0060   -0.0021    0.0015
            Y    -0.0038    0.0106    0.0037   -0.0129   -0.0048   -0.0129
            Z    -0.0106   -0.0037    0.0013    0.0091    0.0025   -0.0013
 AT.  85 O  X    -0.0001   -0.0037   -0.0054   -0.0082   -0.0015   -0.0019
            Y    -0.0088    0.0158    0.0009    0.0013   -0.0044    0.0090
            Z    -0.0087    0.0058    0.0069    0.0108    0.0042    0.0099
 AT.  86 O  X    -0.0001   -0.0037   -0.0054   -0.0082    0.0015    0.0019
            Y    -0.0088    0.0158    0.0009    0.0013    0.0044   -0.0090
            Z     0.0087   -0.0058   -0.0069   -0.0108    0.0042    0.0099
 AT.  87 O  X    -0.0001    0.0037    0.0054    0.0082    0.0015   -0.0019
            Y     0.0088    0.0158    0.0009    0.0013   -0.0044   -0.0090
            Z     0.0087    0.0058    0.0069    0.0108    0.0042   -0.0099
 AT.  88 O  X    -0.0001    0.0037    0.0054    0.0082   -0.0015    0.0019
            Y     0.0088    0.0158    0.0009    0.0013    0.0044    0.0090
            Z    -0.0087   -0.0058   -0.0069   -0.0108    0.0042   -0.0099
 AT.  89 O  X     0.0001    0.0037   -0.0054   -0.0082   -0.0015   -0.0019
            Y     0.0088   -0.0158    0.0009    0.0013   -0.0044    0.0090
            Z     0.0087   -0.0058    0.0069    0.0108    0.0042    0.0099
 AT.  90 O  X     0.0001    0.0037   -0.0054   -0.0082    0.0015    0.0019
            Y     0.0088   -0.0158    0.0009    0.0013    0.0044   -0.0090
            Z    -0.0087    0.0058   -0.0069   -0.0108    0.0042    0.0099
 AT.  91 O  X     0.0001   -0.0037    0.0054    0.0082    0.0015   -0.0019
            Y    -0.0088   -0.0158    0.0009    0.0013   -0.0044   -0.0090
            Z    -0.0087   -0.0058    0.0069    0.0108    0.0042   -0.0099
 AT.  92 O  X     0.0001   -0.0037    0.0054    0.0082   -0.0015    0.0019
            Y    -0.0088   -0.0158    0.0009    0.0013    0.0044    0.0090
            Z     0.0087    0.0058   -0.0069   -0.0108    0.0042   -0.0099
 AT.  93 O  X    -0.0078    0.0106   -0.0130    0.0011   -0.0095    0.0003
            Y    -0.0129    0.0099    0.0031    0.0013    0.0055    0.0123
            Z     0.0026    0.0082    0.0003    0.0155   -0.0196    0.0039
 AT.  94 O  X    -0.0078    0.0106   -0.0130    0.0011    0.0095   -0.0003
            Y    -0.0129    0.0099    0.0031    0.0013   -0.0055   -0.0123
            Z    -0.0026   -0.0082   -0.0003   -0.0155   -0.0196    0.0039
 AT.  95 O  X    -0.0078   -0.0106    0.0130   -0.0011    0.0095    0.0003
            Y     0.0129    0.0099    0.0031    0.0013    0.0055   -0.0123
            Z    -0.0026    0.0082    0.0003    0.0155   -0.0196   -0.0039
 AT.  96 O  X    -0.0078   -0.0106    0.0130   -0.0011   -0.0095   -0.0003
            Y     0.0129    0.0099    0.0031    0.0013   -0.0055    0.0123
            Z     0.0026   -0.0082   -0.0003   -0.0155   -0.0196   -0.0039
 AT.  97 O  X     0.0078   -0.0106   -0.0130    0.0011   -0.0095    0.0003
            Y     0.0129   -0.0099    0.0031    0.0013    0.0055    0.0123
            Z    -0.0026   -0.0082    0.0003    0.0155   -0.0196    0.0039
 AT.  98 O  X     0.0078   -0.0106   -0.0130    0.0011    0.0095   -0.0003
            Y     0.0129   -0.0099    0.0031    0.0013   -0.0055   -0.0123
            Z     0.0026    0.0082   -0.0003   -0.0155   -0.0196    0.0039
 AT.  99 O  X     0.0078    0.0106    0.0130   -0.0011    0.0095    0.0003
            Y    -0.0129   -0.0099    0.0031    0.0013    0.0055   -0.0123
            Z     0.0026   -0.0082    0.0003    0.0155   -0.0196   -0.0039
 AT. 100 O  X     0.0078    0.0106    0.0130   -0.0011   -0.0095   -0.0003
            Y    -0.0129   -0.0099    0.0031    0.0013   -0.0055    0.0123
            Z    -0.0026    0.0082   -0.0003   -0.0155   -0.0196   -0.0039
 AT. 101 O  X     0.0087    0.0039   -0.0029    0.0093   -0.0098    0.0073
            Y    -0.0137    0.0138   -0.0004    0.0012    0.0143    0.0133
            Z    -0.0119    0.0062    0.0023    0.0125    0.0043    0.0075
 AT. 102 O  X     0.0087    0.0039   -0.0029    0.0093    0.0098   -0.0073
            Y    -0.0137    0.0138   -0.0004    0.0012   -0.0143   -0.0133
            Z     0.0119   -0.0062   -0.0023   -0.0125    0.0043    0.0075
 AT. 103 O  X     0.0087   -0.0039    0.0029   -0.0093    0.0098    0.0073
            Y     0.0137    0.0138   -0.0004    0.0012    0.0143   -0.0133
            Z     0.0119    0.0062    0.0023    0.0125    0.0043   -0.0075
 AT. 104 O  X     0.0087   -0.0039    0.0029   -0.0093   -0.0098   -0.0073
            Y     0.0137    0.0138   -0.0004    0.0012   -0.0143    0.0133
            Z    -0.0119   -0.0062   -0.0023   -0.0125    0.0043   -0.0075
 AT. 105 O  X    -0.0087   -0.0039   -0.0029    0.0093   -0.0098    0.0073
            Y     0.0137   -0.0138   -0.0004    0.0012    0.0143    0.0133
            Z     0.0119   -0.0062    0.0023    0.0125    0.0043    0.0075
 AT. 106 O  X    -0.0087   -0.0039   -0.0029    0.0093    0.0098   -0.0073
            Y     0.0137   -0.0138   -0.0004    0.0012   -0.0143   -0.0133
            Z    -0.0119    0.0062   -0.0023   -0.0125    0.0043    0.0075
 AT. 107 O  X    -0.0087    0.0039    0.0029   -0.0093    0.0098    0.0073
            Y    -0.0137   -0.0138   -0.0004    0.0012    0.0143   -0.0133
            Z    -0.0119   -0.0062    0.0023    0.0125    0.0043   -0.0075
 AT. 108 O  X    -0.0087    0.0039    0.0029   -0.0093   -0.0098   -0.0073
            Y    -0.0137   -0.0138   -0.0004    0.0012   -0.0143    0.0133
            Z     0.0119    0.0062   -0.0023   -0.0125    0.0043   -0.0075
 AT. 109 O  X    -0.0004    0.0001   -0.0095    0.0003   -0.0055    0.0022
            Y    -0.0143    0.0193   -0.0007    0.0033   -0.0060    0.0032
            Z     0.0015    0.0036    0.0038    0.0157   -0.0011    0.0185
 AT. 110 O  X    -0.0004    0.0001   -0.0095    0.0003    0.0055   -0.0022
            Y    -0.0143    0.0193   -0.0007    0.0033    0.0060   -0.0032
            Z    -0.0015   -0.0036   -0.0038   -0.0157   -0.0011    0.0185
 AT. 111 O  X    -0.0004   -0.0001    0.0095   -0.0003    0.0055    0.0022
            Y     0.0143    0.0193   -0.0007    0.0033   -0.0060   -0.0032
            Z    -0.0015    0.0036    0.0038    0.0157   -0.0011   -0.0185
 AT. 112 O  X    -0.0004   -0.0001    0.0095   -0.0003   -0.0055   -0.0022
            Y     0.0143    0.0193   -0.0007    0.0033    0.0060    0.0032
            Z     0.0015   -0.0036   -0.0038   -0.0157   -0.0011   -0.0185
 AT. 113 O  X     0.0004   -0.0001   -0.0095    0.0003   -0.0055    0.0022
            Y     0.0143   -0.0193   -0.0007    0.0033   -0.0060    0.0032
            Z    -0.0015   -0.0036    0.0038    0.0157   -0.0011    0.0185
 AT. 114 O  X     0.0004   -0.0001   -0.0095    0.0003    0.0055   -0.0022
            Y     0.0143   -0.0193   -0.0007    0.0033    0.0060   -0.0032
            Z     0.0015    0.0036   -0.0038   -0.0157   -0.0011    0.0185
 AT. 115 O  X     0.0004    0.0001    0.0095   -0.0003    0.0055    0.0022
            Y    -0.0143   -0.0193   -0.0007    0.0033   -0.0060   -0.0032
            Z     0.0015   -0.0036    0.0038    0.0157   -0.0011   -0.0185
 AT. 116 O  X     0.0004    0.0001    0.0095   -0.0003   -0.0055   -0.0022
            Y    -0.0143   -0.0193   -0.0007    0.0033    0.0060    0.0032
            Z    -0.0015    0.0036   -0.0038   -0.0157   -0.0011   -0.0185
 AT. 117 O  X     0.0033    0.0164    0.0044    0.0222   -0.0009    0.0065
            Y    -0.0026    0.0136   -0.0061    0.0019   -0.0029    0.0123
            Z    -0.0047   -0.0179   -0.0032   -0.0231   -0.0144   -0.0031
 AT. 118 O  X     0.0033    0.0164    0.0044    0.0222    0.0009   -0.0065
            Y    -0.0026    0.0136   -0.0061    0.0019    0.0029   -0.0123
            Z     0.0047    0.0179    0.0032    0.0231   -0.0144   -0.0031
 AT. 119 O  X     0.0033   -0.0164   -0.0044   -0.0222    0.0009    0.0065
            Y     0.0026    0.0136   -0.0061    0.0019   -0.0029   -0.0123
            Z     0.0047   -0.0179   -0.0032   -0.0231   -0.0144    0.0031
 AT. 120 O  X     0.0033   -0.0164   -0.0044   -0.0222   -0.0009   -0.0065
            Y     0.0026    0.0136   -0.0061    0.0019    0.0029    0.0123
            Z    -0.0047    0.0179    0.0032    0.0231   -0.0144    0.0031
 AT. 121 O  X    -0.0033   -0.0164    0.0044    0.0222   -0.0009    0.0065
            Y     0.0026   -0.0136   -0.0061    0.0019   -0.0029    0.0123
            Z     0.0047    0.0179   -0.0032   -0.0231   -0.0144   -0.0031
 AT. 122 O  X    -0.0033   -0.0164    0.0044    0.0222    0.0009   -0.0065
            Y     0.0026   -0.0136   -0.0061    0.0019    0.0029   -0.0123
            Z    -0.0047   -0.0179    0.0032    0.0231   -0.0144   -0.0031
 AT. 123 O  X    -0.0033    0.0164   -0.0044   -0.0222    0.0009    0.0065
            Y    -0.0026   -0.0136   -0.0061    0.0019   -0.0029   -0.0123
            Z    -0.0047    0.0179   -0.0032   -0.0231   -0.0144    0.0031
 AT. 124 O  X    -0.0033    0.0164   -0.0044   -0.0222   -0.0009   -0.0065
            Y    -0.0026   -0.0136   -0.0061    0.0019    0.0029    0.0123
            Z     0.0047   -0.0179    0.0032    0.0231   -0.0144    0.0031

 FREQ(CM**-1)    185.09    185.18    190.74    191.26    191.79    192.41

 AT.   1 SI X     0.0022    0.0022   -0.0065    0.0013   -0.0007   -0.0038
            Y    -0.0042   -0.0100    0.0015   -0.0064   -0.0092   -0.0017
            Z     0.0080    0.0014   -0.0091    0.0050    0.0095   -0.0079
 AT.   2 SI X    -0.0022   -0.0022    0.0065   -0.0013   -0.0007   -0.0038
            Y     0.0042    0.0100   -0.0015    0.0064   -0.0092   -0.0017
            Z     0.0080    0.0014   -0.0091    0.0050   -0.0095    0.0079
 AT.   3 SI X    -0.0022   -0.0022    0.0065    0.0013   -0.0007    0.0038
            Y    -0.0042   -0.0100    0.0015    0.0064    0.0092   -0.0017
            Z     0.0080    0.0014   -0.0091   -0.0050   -0.0095   -0.0079
 AT.   4 SI X     0.0022    0.0022   -0.0065   -0.0013   -0.0007    0.0038
            Y     0.0042    0.0100   -0.0015   -0.0064    0.0092   -0.0017
            Z     0.0080    0.0014   -0.0091   -0.0050    0.0095    0.0079
 AT.   5 SI X    -0.0022    0.0022   -0.0065   -0.0013    0.0007   -0.0038
            Y     0.0042   -0.0100    0.0015    0.0064    0.0092   -0.0017
            Z    -0.0080    0.0014   -0.0091   -0.0050   -0.0095   -0.0079
 AT.   6 SI X     0.0022   -0.0022    0.0065    0.0013    0.0007   -0.0038
            Y    -0.0042    0.0100   -0.0015   -0.0064    0.0092   -0.0017
            Z    -0.0080    0.0014   -0.0091   -0.0050    0.0095    0.0079
 AT.   7 SI X     0.0022   -0.0022    0.0065   -0.0013    0.0007    0.0038
            Y     0.0042   -0.0100    0.0015   -0.0064   -0.0092   -0.0017
            Z    -0.0080    0.0014   -0.0091    0.0050    0.0095   -0.0079
 AT.   8 SI X    -0.0022    0.0022   -0.0065    0.0013    0.0007    0.0038
            Y    -0.0042    0.0100   -0.0015    0.0064   -0.0092   -0.0017
            Z    -0.0080    0.0014   -0.0091    0.0050   -0.0095    0.0079
 AT.   9 SI X    -0.0033    0.0079    0.0037   -0.0030    0.0044    0.0049
            Y    -0.0014    0.0160   -0.0001   -0.0026    0.0094    0.0116
            Z    -0.0105   -0.0001    0.0101   -0.0123   -0.0012    0.0087
 AT.  10 SI X     0.0033   -0.0079   -0.0037    0.0030    0.0044    0.0049
            Y     0.0014   -0.0160    0.0001    0.0026    0.0094    0.0116
            Z    -0.0105   -0.0001    0.0101   -0.0123    0.0012   -0.0087
 AT.  11 SI X     0.0033   -0.0079   -0.0037   -0.0030    0.0044   -0.0049
            Y    -0.0014    0.0160   -0.0001    0.0026   -0.0094    0.0116
            Z    -0.0105   -0.0001    0.0101    0.0123    0.0012    0.0087
 AT.  12 SI X    -0.0033    0.0079    0.0037    0.0030    0.0044   -0.0049
            Y     0.0014   -0.0160    0.0001   -0.0026   -0.0094    0.0116
            Z    -0.0105   -0.0001    0.0101    0.0123   -0.0012   -0.0087
 AT.  13 SI X     0.0033    0.0079    0.0037    0.0030   -0.0044    0.0049
            Y     0.0014    0.0160   -0.0001    0.0026   -0.0094    0.0116
            Z     0.0105   -0.0001    0.0101    0.0123    0.0012    0.0087
 AT.  14 SI X    -0.0033   -0.0079   -0.0037   -0.0030   -0.0044    0.0049
            Y    -0.0014   -0.0160    0.0001   -0.0026   -0.0094    0.0116
            Z     0.0105   -0.0001    0.0101    0.0123   -0.0012   -0.0087
 AT.  15 SI X    -0.0033   -0.0079   -0.0037    0.0030   -0.0044   -0.0049
            Y     0.0014    0.0160   -0.0001   -0.0026    0.0094    0.0116
            Z     0.0105   -0.0001    0.0101   -0.0123   -0.0012    0.0087
 AT.  16 SI X     0.0033    0.0079    0.0037   -0.0030   -0.0044   -0.0049
            Y    -0.0014   -0.0160    0.0001    0.0026    0.0094    0.0116
            Z     0.0105   -0.0001    0.0101   -0.0123    0.0012   -0.0087
 AT.  17 SI X     0.0092   -0.0002   -0.0020    0.0000    0.0029    0.0000
            Y     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0147
            Z    -0.0116   -0.0114    0.0044    0.0000   -0.0016    0.0000
 AT.  18 SI X    -0.0092    0.0002    0.0020    0.0000    0.0029    0.0000
            Y     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0147
            Z    -0.0116   -0.0114    0.0044    0.0000    0.0016    0.0000
 AT.  19 SI X    -0.0092   -0.0002   -0.0020    0.0000   -0.0029    0.0000
            Y     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0147
            Z     0.0116   -0.0114    0.0044    0.0000    0.0016    0.0000
 AT.  20 SI X     0.0092    0.0002    0.0020    0.0000   -0.0029    0.0000
            Y     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0147
            Z     0.0116   -0.0114    0.0044    0.0000   -0.0016    0.0000
 AT.  21 CA X     0.0030   -0.0151    0.0147    0.0155    0.0002    0.0071
            Y     0.0082   -0.0004    0.0004   -0.0134   -0.0089   -0.0008
            Z     0.0004    0.0119   -0.0049   -0.0179   -0.0087   -0.0009
 AT.  22 CA X    -0.0030    0.0151   -0.0147   -0.0155    0.0002    0.0071
            Y    -0.0082    0.0004   -0.0004    0.0134   -0.0089   -0.0008
            Z     0.0004    0.0119   -0.0049   -0.0179    0.0087    0.0009
 AT.  23 CA X    -0.0030    0.0151   -0.0147    0.0155    0.0002   -0.0071
            Y     0.0082   -0.0004    0.0004    0.0134    0.0089   -0.0008
            Z     0.0004    0.0119   -0.0049    0.0179    0.0087   -0.0009
 AT.  24 CA X     0.0030   -0.0151    0.0147   -0.0155    0.0002   -0.0071
            Y    -0.0082    0.0004   -0.0004   -0.0134    0.0089   -0.0008
            Z     0.0004    0.0119   -0.0049    0.0179   -0.0087    0.0009
 AT.  25 CA X    -0.0030   -0.0151    0.0147   -0.0155   -0.0002    0.0071
            Y    -0.0082   -0.0004    0.0004    0.0134    0.0089   -0.0008
            Z    -0.0004    0.0119   -0.0049    0.0179    0.0087   -0.0009
 AT.  26 CA X     0.0030    0.0151   -0.0147    0.0155   -0.0002    0.0071
            Y     0.0082    0.0004   -0.0004   -0.0134    0.0089   -0.0008
            Z    -0.0004    0.0119   -0.0049    0.0179   -0.0087    0.0009
 AT.  27 CA X     0.0030    0.0151   -0.0147   -0.0155   -0.0002   -0.0071
            Y    -0.0082   -0.0004    0.0004   -0.0134   -0.0089   -0.0008
            Z    -0.0004    0.0119   -0.0049   -0.0179   -0.0087   -0.0009
 AT.  28 CA X    -0.0030   -0.0151    0.0147    0.0155   -0.0002   -0.0071
            Y     0.0082    0.0004   -0.0004    0.0134   -0.0089   -0.0008
            Z    -0.0004    0.0119   -0.0049   -0.0179    0.0087    0.0009
 AT.  29 CA X     0.0000   -0.0111   -0.0141    0.0000    0.0000   -0.0035
            Y     0.0000    0.0133   -0.0009    0.0000    0.0000   -0.0125
            Z     0.0000   -0.0076   -0.0021    0.0000    0.0000   -0.0087
 AT.  30 CA X     0.0000    0.0111    0.0141    0.0000    0.0000   -0.0035
            Y     0.0000   -0.0133    0.0009    0.0000    0.0000   -0.0125
            Z     0.0000   -0.0076   -0.0021    0.0000    0.0000    0.0087
 AT.  31 CA X     0.0000    0.0111    0.0141    0.0000    0.0000    0.0035
            Y     0.0000    0.0133   -0.0009    0.0000    0.0000   -0.0125
            Z     0.0000   -0.0076   -0.0021    0.0000    0.0000   -0.0087
 AT.  32 CA X     0.0000   -0.0111   -0.0141    0.0000    0.0000    0.0035
            Y     0.0000   -0.0133    0.0009    0.0000    0.0000   -0.0125
            Z     0.0000   -0.0076   -0.0021    0.0000    0.0000    0.0087
 AT.  33 CA X     0.0067    0.0078    0.0178    0.0130   -0.0057    0.0041
            Y    -0.0007   -0.0102    0.0003    0.0164    0.0003    0.0049
            Z     0.0135   -0.0053    0.0075    0.0124   -0.0002   -0.0008
 AT.  34 CA X    -0.0067   -0.0078   -0.0178   -0.0130   -0.0057    0.0041
            Y     0.0007    0.0102   -0.0003   -0.0164    0.0003    0.0049
            Z     0.0135   -0.0053    0.0075    0.0124    0.0002    0.0008
 AT.  35 CA X    -0.0067   -0.0078   -0.0178    0.0130   -0.0057   -0.0041
            Y    -0.0007   -0.0102    0.0003   -0.0164   -0.0003    0.0049
            Z     0.0135   -0.0053    0.0075   -0.0124    0.0002   -0.0008
 AT.  36 CA X     0.0067    0.0078    0.0178   -0.0130   -0.0057   -0.0041
            Y     0.0007    0.0102   -0.0003    0.0164   -0.0003    0.0049
            Z     0.0135   -0.0053    0.0075   -0.0124   -0.0002    0.0008
 AT.  37 CA X    -0.0067    0.0078    0.0178   -0.0130    0.0057    0.0041
            Y     0.0007   -0.0102    0.0003   -0.0164   -0.0003    0.0049
            Z    -0.0135   -0.0053    0.0075   -0.0124    0.0002   -0.0008
 AT.  38 CA X     0.0067   -0.0078   -0.0178    0.0130    0.0057    0.0041
            Y    -0.0007    0.0102   -0.0003    0.0164   -0.0003    0.0049
            Z    -0.0135   -0.0053    0.0075   -0.0124   -0.0002    0.0008
 AT.  39 CA X     0.0067   -0.0078   -0.0178   -0.0130    0.0057   -0.0041
            Y     0.0007   -0.0102    0.0003    0.0164    0.0003    0.0049
            Z    -0.0135   -0.0053    0.0075    0.0124   -0.0002   -0.0008
 AT.  40 CA X    -0.0067    0.0078    0.0178    0.0130    0.0057   -0.0041
            Y    -0.0007    0.0102   -0.0003   -0.0164    0.0003    0.0049
            Z    -0.0135   -0.0053    0.0075    0.0124    0.0002    0.0008
 AT.  41 CA X    -0.0064    0.0047    0.0120    0.0089   -0.0037    0.0056
            Y     0.0247    0.0078   -0.0087    0.0057    0.0108    0.0040
            Z    -0.0047    0.0027    0.0013    0.0001    0.0126    0.0109
 AT.  42 CA X     0.0064   -0.0047   -0.0120   -0.0089   -0.0037    0.0056
            Y    -0.0247   -0.0078    0.0087   -0.0057    0.0108    0.0040
            Z    -0.0047    0.0027    0.0013    0.0001   -0.0126   -0.0109
 AT.  43 CA X     0.0064   -0.0047   -0.0120    0.0089   -0.0037   -0.0056
            Y     0.0247    0.0078   -0.0087   -0.0057   -0.0108    0.0040
            Z    -0.0047    0.0027    0.0013   -0.0001   -0.0126    0.0109
 AT.  44 CA X    -0.0064    0.0047    0.0120   -0.0089   -0.0037   -0.0056
            Y    -0.0247   -0.0078    0.0087    0.0057   -0.0108    0.0040
            Z    -0.0047    0.0027    0.0013   -0.0001    0.0126   -0.0109
 AT.  45 CA X     0.0064    0.0047    0.0120   -0.0089    0.0037    0.0056
            Y    -0.0247    0.0078   -0.0087   -0.0057   -0.0108    0.0040
            Z     0.0047    0.0027    0.0013   -0.0001   -0.0126    0.0109
 AT.  46 CA X    -0.0064   -0.0047   -0.0120    0.0089    0.0037    0.0056
            Y     0.0247   -0.0078    0.0087    0.0057   -0.0108    0.0040
            Z     0.0047    0.0027    0.0013   -0.0001    0.0126   -0.0109
 AT.  47 CA X    -0.0064   -0.0047   -0.0120   -0.0089    0.0037   -0.0056
            Y    -0.0247    0.0078   -0.0087    0.0057    0.0108    0.0040
            Z     0.0047    0.0027    0.0013    0.0001    0.0126    0.0109
 AT.  48 CA X     0.0064    0.0047    0.0120    0.0089    0.0037   -0.0056
            Y     0.0247   -0.0078    0.0087   -0.0057    0.0108    0.0040
            Z     0.0047    0.0027    0.0013    0.0001   -0.0126   -0.0109
 AT.  49 CA X    -0.0074   -0.0137   -0.0184    0.0000   -0.0058    0.0000
            Y     0.0000    0.0000    0.0000   -0.0038    0.0000   -0.0159
            Z    -0.0109    0.0037   -0.0167    0.0000   -0.0217    0.0000
 AT.  50 CA X     0.0074    0.0137    0.0184    0.0000   -0.0058    0.0000
            Y     0.0000    0.0000    0.0000    0.0038    0.0000   -0.0159
            Z    -0.0109    0.0037   -0.0167    0.0000    0.0217    0.0000
 AT.  51 CA X     0.0074   -0.0137   -0.0184    0.0000    0.0058    0.0000
            Y     0.0000    0.0000    0.0000    0.0038    0.0000   -0.0159
            Z     0.0109    0.0037   -0.0167    0.0000    0.0217    0.0000
 AT.  52 CA X    -0.0074    0.0137    0.0184    0.0000    0.0058    0.0000
            Y     0.0000    0.0000    0.0000   -0.0038    0.0000   -0.0159
            Z     0.0109    0.0037   -0.0167    0.0000   -0.0217    0.0000
 AT.  53 O  X    -0.0032   -0.0056   -0.0040    0.0054   -0.0020   -0.0048
            Y    -0.0009   -0.0063   -0.0002   -0.0067   -0.0085   -0.0017
            Z     0.0139   -0.0080   -0.0045    0.0007   -0.0031   -0.0071
 AT.  54 O  X     0.0032    0.0056    0.0040   -0.0054   -0.0020   -0.0048
            Y     0.0009    0.0063    0.0002    0.0067   -0.0085   -0.0017
            Z     0.0139   -0.0080   -0.0045    0.0007    0.0031    0.0071
 AT.  55 O  X     0.0032    0.0056    0.0040    0.0054   -0.0020    0.0048
            Y    -0.0009   -0.0063   -0.0002    0.0067    0.0085   -0.0017
            Z     0.0139   -0.0080   -0.0045   -0.0007    0.0031   -0.0071
 AT.  56 O  X    -0.0032   -0.0056   -0.0040   -0.0054   -0.0020    0.0048
            Y     0.0009    0.0063    0.0002   -0.0067    0.0085   -0.0017
            Z     0.0139   -0.0080   -0.0045   -0.0007   -0.0031    0.0071
 AT.  57 O  X     0.0032   -0.0056   -0.0040   -0.0054    0.0020   -0.0048
            Y     0.0009   -0.0063   -0.0002    0.0067    0.0085   -0.0017
            Z    -0.0139   -0.0080   -0.0045   -0.0007    0.0031   -0.0071
 AT.  58 O  X    -0.0032    0.0056    0.0040    0.0054    0.0020   -0.0048
            Y    -0.0009    0.0063    0.0002   -0.0067    0.0085   -0.0017
            Z    -0.0139   -0.0080   -0.0045   -0.0007   -0.0031    0.0071
 AT.  59 O  X    -0.0032    0.0056    0.0040   -0.0054    0.0020    0.0048
            Y     0.0009   -0.0063   -0.0002   -0.0067   -0.0085   -0.0017
            Z    -0.0139   -0.0080   -0.0045    0.0007   -0.0031   -0.0071
 AT.  60 O  X     0.0032   -0.0056   -0.0040    0.0054    0.0020    0.0048
            Y    -0.0009    0.0063    0.0002    0.0067   -0.0085   -0.0017
            Z    -0.0139   -0.0080   -0.0045    0.0007    0.0031    0.0071
 AT.  61 O  X     0.0006    0.0096    0.0006    0.0044    0.0020    0.0072
            Y     0.0074   -0.0130    0.0035   -0.0048   -0.0139   -0.0013
            Z     0.0006    0.0071   -0.0052    0.0052    0.0132   -0.0002
 AT.  62 O  X    -0.0006   -0.0096   -0.0006   -0.0044    0.0020    0.0072
            Y    -0.0074    0.0130   -0.0035    0.0048   -0.0139   -0.0013
            Z     0.0006    0.0071   -0.0052    0.0052   -0.0132    0.0002
 AT.  63 O  X    -0.0006   -0.0096   -0.0006    0.0044    0.0020   -0.0072
            Y     0.0074   -0.0130    0.0035    0.0048    0.0139   -0.0013
            Z     0.0006    0.0071   -0.0052   -0.0052   -0.0132   -0.0002
 AT.  64 O  X     0.0006    0.0096    0.0006   -0.0044    0.0020   -0.0072
            Y    -0.0074    0.0130   -0.0035   -0.0048    0.0139   -0.0013
            Z     0.0006    0.0071   -0.0052   -0.0052    0.0132    0.0002
 AT.  65 O  X    -0.0006    0.0096    0.0006   -0.0044   -0.0020    0.0072
            Y    -0.0074   -0.0130    0.0035    0.0048    0.0139   -0.0013
            Z    -0.0006    0.0071   -0.0052   -0.0052   -0.0132   -0.0002
 AT.  66 O  X     0.0006   -0.0096   -0.0006    0.0044   -0.0020    0.0072
            Y     0.0074    0.0130   -0.0035   -0.0048    0.0139   -0.0013
            Z    -0.0006    0.0071   -0.0052   -0.0052    0.0132    0.0002
 AT.  67 O  X     0.0006   -0.0096   -0.0006   -0.0044   -0.0020   -0.0072
            Y    -0.0074   -0.0130    0.0035   -0.0048   -0.0139   -0.0013
            Z    -0.0006    0.0071   -0.0052    0.0052    0.0132   -0.0002
 AT.  68 O  X    -0.0006    0.0096    0.0006    0.0044   -0.0020   -0.0072
            Y     0.0074    0.0130   -0.0035    0.0048   -0.0139   -0.0013
            Z    -0.0006    0.0071   -0.0052    0.0052   -0.0132    0.0002
 AT.  69 O  X     0.0051   -0.0025   -0.0081   -0.0058    0.0003   -0.0083
            Y    -0.0116   -0.0023    0.0000   -0.0016    0.0012   -0.0008
            Z     0.0023    0.0080   -0.0082    0.0094    0.0130   -0.0049
 AT.  70 O  X    -0.0051    0.0025    0.0081    0.0058    0.0003   -0.0083
            Y     0.0116    0.0023    0.0000    0.0016    0.0012   -0.0008
            Z     0.0023    0.0080   -0.0082    0.0094   -0.0130    0.0049
 AT.  71 O  X    -0.0051    0.0025    0.0081   -0.0058    0.0003    0.0083
            Y    -0.0116   -0.0023    0.0000    0.0016   -0.0012   -0.0008
            Z     0.0023    0.0080   -0.0082   -0.0094   -0.0130   -0.0049
 AT.  72 O  X     0.0051   -0.0025   -0.0081    0.0058    0.0003    0.0083
            Y     0.0116    0.0023    0.0000   -0.0016   -0.0012   -0.0008
            Z     0.0023    0.0080   -0.0082   -0.0094    0.0130    0.0049
 AT.  73 O  X    -0.0051   -0.0025   -0.0081    0.0058   -0.0003   -0.0083
            Y     0.0116   -0.0023    0.0000    0.0016   -0.0012   -0.0008
            Z    -0.0023    0.0080   -0.0082   -0.0094   -0.0130   -0.0049
 AT.  74 O  X     0.0051    0.0025    0.0081   -0.0058   -0.0003   -0.0083
            Y    -0.0116    0.0023    0.0000   -0.0016   -0.0012   -0.0008
            Z    -0.0023    0.0080   -0.0082   -0.0094    0.0130    0.0049
 AT.  75 O  X     0.0051    0.0025    0.0081    0.0058   -0.0003    0.0083
            Y     0.0116   -0.0023    0.0000   -0.0016    0.0012   -0.0008
            Z    -0.0023    0.0080   -0.0082    0.0094    0.0130   -0.0049
 AT.  76 O  X    -0.0051   -0.0025   -0.0081   -0.0058   -0.0003    0.0083
            Y    -0.0116    0.0023    0.0000    0.0016    0.0012   -0.0008
            Z    -0.0023    0.0080   -0.0082    0.0094   -0.0130    0.0049
 AT.  77 O  X     0.0019    0.0016   -0.0058    0.0017   -0.0004   -0.0032
            Y    -0.0067   -0.0080   -0.0001    0.0005   -0.0054   -0.0021
            Z     0.0083   -0.0021   -0.0062   -0.0031    0.0037   -0.0120
 AT.  78 O  X    -0.0019   -0.0016    0.0058   -0.0017   -0.0004   -0.0032
            Y     0.0067    0.0080    0.0001   -0.0005   -0.0054   -0.0021
            Z     0.0083   -0.0021   -0.0062   -0.0031   -0.0037    0.0120
 AT.  79 O  X    -0.0019   -0.0016    0.0058    0.0017   -0.0004    0.0032
            Y    -0.0067   -0.0080   -0.0001   -0.0005    0.0054   -0.0021
            Z     0.0083   -0.0021   -0.0062    0.0031   -0.0037   -0.0120
 AT.  80 O  X     0.0019    0.0016   -0.0058   -0.0017   -0.0004    0.0032
            Y     0.0067    0.0080    0.0001    0.0005    0.0054   -0.0021
            Z     0.0083   -0.0021   -0.0062    0.0031    0.0037    0.0120
 AT.  81 O  X    -0.0019    0.0016   -0.0058   -0.0017    0.0004   -0.0032
            Y     0.0067   -0.0080   -0.0001   -0.0005    0.0054   -0.0021
            Z    -0.0083   -0.0021   -0.0062    0.0031   -0.0037   -0.0120
 AT.  82 O  X     0.0019   -0.0016    0.0058    0.0017    0.0004   -0.0032
            Y    -0.0067    0.0080    0.0001    0.0005    0.0054   -0.0021
            Z    -0.0083   -0.0021   -0.0062    0.0031    0.0037    0.0120
 AT.  83 O  X     0.0019   -0.0016    0.0058   -0.0017    0.0004    0.0032
            Y     0.0067   -0.0080   -0.0001    0.0005   -0.0054   -0.0021
            Z    -0.0083   -0.0021   -0.0062   -0.0031    0.0037   -0.0120
 AT.  84 O  X    -0.0019    0.0016   -0.0058    0.0017    0.0004    0.0032
            Y    -0.0067    0.0080    0.0001   -0.0005   -0.0054   -0.0021
            Z    -0.0083   -0.0021   -0.0062   -0.0031   -0.0037    0.0120
 AT.  85 O  X     0.0031    0.0065    0.0001   -0.0029    0.0028    0.0012
            Y    -0.0067    0.0215   -0.0041   -0.0057    0.0248    0.0207
            Z    -0.0031   -0.0048    0.0109   -0.0090   -0.0111    0.0007
 AT.  86 O  X    -0.0031   -0.0065   -0.0001    0.0029    0.0028    0.0012
            Y     0.0067   -0.0215    0.0041    0.0057    0.0248    0.0207
            Z    -0.0031   -0.0048    0.0109   -0.0090    0.0111   -0.0007
 AT.  87 O  X    -0.0031   -0.0065   -0.0001   -0.0029    0.0028   -0.0012
            Y    -0.0067    0.0215   -0.0041    0.0057   -0.0248    0.0207
            Z    -0.0031   -0.0048    0.0109    0.0090    0.0111    0.0007
 AT.  88 O  X     0.0031    0.0065    0.0001    0.0029    0.0028   -0.0012
            Y     0.0067   -0.0215    0.0041   -0.0057   -0.0248    0.0207
            Z    -0.0031   -0.0048    0.0109    0.0090   -0.0111   -0.0007
 AT.  89 O  X    -0.0031    0.0065    0.0001    0.0029   -0.0028    0.0012
            Y     0.0067    0.0215   -0.0041    0.0057   -0.0248    0.0207
            Z     0.0031   -0.0048    0.0109    0.0090    0.0111    0.0007
 AT.  90 O  X     0.0031   -0.0065   -0.0001   -0.0029   -0.0028    0.0012
            Y    -0.0067   -0.0215    0.0041   -0.0057   -0.0248    0.0207
            Z     0.0031   -0.0048    0.0109    0.0090   -0.0111   -0.0007
 AT.  91 O  X     0.0031   -0.0065   -0.0001    0.0029   -0.0028   -0.0012
            Y     0.0067    0.0215   -0.0041   -0.0057    0.0248    0.0207
            Z     0.0031   -0.0048    0.0109   -0.0090   -0.0111    0.0007
 AT.  92 O  X    -0.0031    0.0065    0.0001   -0.0029   -0.0028   -0.0012
            Y    -0.0067   -0.0215    0.0041    0.0057    0.0248    0.0207
            Z     0.0031   -0.0048    0.0109   -0.0090    0.0111   -0.0007
 AT.  93 O  X    -0.0157    0.0147    0.0117   -0.0029    0.0104    0.0177
            Y     0.0059    0.0106   -0.0024   -0.0021    0.0046    0.0044
            Z    -0.0164    0.0102    0.0057   -0.0121    0.0224    0.0225
 AT.  94 O  X     0.0157   -0.0147   -0.0117    0.0029    0.0104    0.0177
            Y    -0.0059   -0.0106    0.0024    0.0021    0.0046    0.0044
            Z    -0.0164    0.0102    0.0057   -0.0121   -0.0224   -0.0225
 AT.  95 O  X     0.0157   -0.0147   -0.0117   -0.0029    0.0104   -0.0177
            Y     0.0059    0.0106   -0.0024    0.0021   -0.0046    0.0044
            Z    -0.0164    0.0102    0.0057    0.0121   -0.0224    0.0225
 AT.  96 O  X    -0.0157    0.0147    0.0117    0.0029    0.0104   -0.0177
            Y    -0.0059   -0.0106    0.0024   -0.0021   -0.0046    0.0044
            Z    -0.0164    0.0102    0.0057    0.0121    0.0224   -0.0225
 AT.  97 O  X     0.0157    0.0147    0.0117    0.0029   -0.0104    0.0177
            Y    -0.0059    0.0106   -0.0024    0.0021   -0.0046    0.0044
            Z     0.0164    0.0102    0.0057    0.0121   -0.0224    0.0225
 AT.  98 O  X    -0.0157   -0.0147   -0.0117   -0.0029   -0.0104    0.0177
            Y     0.0059   -0.0106    0.0024   -0.0021   -0.0046    0.0044
            Z     0.0164    0.0102    0.0057    0.0121    0.0224   -0.0225
 AT.  99 O  X    -0.0157   -0.0147   -0.0117    0.0029   -0.0104   -0.0177
            Y    -0.0059    0.0106   -0.0024   -0.0021    0.0046    0.0044
            Z     0.0164    0.0102    0.0057   -0.0121    0.0224    0.0225
 AT. 100 O  X     0.0157    0.0147    0.0117   -0.0029   -0.0104   -0.0177
            Y     0.0059   -0.0106    0.0024    0.0021    0.0046    0.0044
            Z     0.0164    0.0102    0.0057   -0.0121   -0.0224   -0.0225
 AT. 101 O  X     0.0045    0.0034    0.0017   -0.0061    0.0054   -0.0046
            Y     0.0078    0.0028    0.0077   -0.0008   -0.0114   -0.0127
            Z    -0.0066   -0.0063    0.0140   -0.0082   -0.0150   -0.0045
 AT. 102 O  X    -0.0045   -0.0034   -0.0017    0.0061    0.0054   -0.0046
            Y    -0.0078   -0.0028   -0.0077    0.0008   -0.0114   -0.0127
            Z    -0.0066   -0.0063    0.0140   -0.0082    0.0150    0.0045
 AT. 103 O  X    -0.0045   -0.0034   -0.0017   -0.0061    0.0054    0.0046
            Y     0.0078    0.0028    0.0077    0.0008    0.0114   -0.0127
            Z    -0.0066   -0.0063    0.0140    0.0082    0.0150   -0.0045
 AT. 104 O  X     0.0045    0.0034    0.0017    0.0061    0.0054    0.0046
            Y    -0.0078   -0.0028   -0.0077   -0.0008    0.0114   -0.0127
            Z    -0.0066   -0.0063    0.0140    0.0082   -0.0150    0.0045
 AT. 105 O  X    -0.0045    0.0034    0.0017    0.0061   -0.0054   -0.0046
            Y    -0.0078    0.0028    0.0077    0.0008    0.0114   -0.0127
            Z     0.0066   -0.0063    0.0140    0.0082    0.0150   -0.0045
 AT. 106 O  X     0.0045   -0.0034   -0.0017   -0.0061   -0.0054   -0.0046
            Y     0.0078   -0.0028   -0.0077   -0.0008    0.0114   -0.0127
            Z     0.0066   -0.0063    0.0140    0.0082   -0.0150    0.0045
 AT. 107 O  X     0.0045   -0.0034   -0.0017    0.0061   -0.0054    0.0046
            Y    -0.0078    0.0028    0.0077   -0.0008   -0.0114   -0.0127
            Z     0.0066   -0.0063    0.0140   -0.0082   -0.0150   -0.0045
 AT. 108 O  X    -0.0045    0.0034    0.0017   -0.0061   -0.0054    0.0046
            Y     0.0078   -0.0028   -0.0077    0.0008   -0.0114   -0.0127
            Z     0.0066   -0.0063    0.0140   -0.0082    0.0150    0.0045
 AT. 109 O  X    -0.0026    0.0091    0.0035   -0.0029    0.0047    0.0047
            Y    -0.0132    0.0085    0.0081   -0.0008    0.0106    0.0137
            Z    -0.0023   -0.0048    0.0135   -0.0018   -0.0024    0.0084
 AT. 110 O  X     0.0026   -0.0091   -0.0035    0.0029    0.0047    0.0047
            Y     0.0132   -0.0085   -0.0081    0.0008    0.0106    0.0137
            Z    -0.0023   -0.0048    0.0135   -0.0018    0.0024   -0.0084
 AT. 111 O  X     0.0026   -0.0091   -0.0035   -0.0029    0.0047   -0.0047
            Y    -0.0132    0.0085    0.0081    0.0008   -0.0106    0.0137
            Z    -0.0023   -0.0048    0.0135    0.0018    0.0024    0.0084
 AT. 112 O  X    -0.0026    0.0091    0.0035    0.0029    0.0047   -0.0047
            Y     0.0132   -0.0085   -0.0081   -0.0008   -0.0106    0.0137
            Z    -0.0023   -0.0048    0.0135    0.0018   -0.0024   -0.0084
 AT. 113 O  X     0.0026    0.0091    0.0035    0.0029   -0.0047    0.0047
            Y     0.0132    0.0085    0.0081    0.0008   -0.0106    0.0137
            Z     0.0023   -0.0048    0.0135    0.0018    0.0024    0.0084
 AT. 114 O  X    -0.0026   -0.0091   -0.0035   -0.0029   -0.0047    0.0047
            Y    -0.0132   -0.0085   -0.0081   -0.0008   -0.0106    0.0137
            Z     0.0023   -0.0048    0.0135    0.0018   -0.0024   -0.0084
 AT. 115 O  X    -0.0026   -0.0091   -0.0035    0.0029   -0.0047   -0.0047
            Y     0.0132    0.0085    0.0081   -0.0008    0.0106    0.0137
            Z     0.0023   -0.0048    0.0135   -0.0018   -0.0024    0.0084
 AT. 116 O  X     0.0026    0.0091    0.0035   -0.0029   -0.0047   -0.0047
            Y    -0.0132   -0.0085   -0.0081    0.0008    0.0106    0.0137
            Z     0.0023   -0.0048    0.0135   -0.0018    0.0024   -0.0084
 AT. 117 O  X     0.0149    0.0000    0.0055   -0.0108   -0.0025   -0.0202
            Y    -0.0036    0.0003    0.0091   -0.0006    0.0011   -0.0096
            Z    -0.0127   -0.0101   -0.0123    0.0097    0.0019    0.0159
 AT. 118 O  X    -0.0149    0.0000   -0.0055    0.0108   -0.0025   -0.0202
            Y     0.0036   -0.0003   -0.0091    0.0006    0.0011   -0.0096
            Z    -0.0127   -0.0101   -0.0123    0.0097   -0.0019   -0.0159
 AT. 119 O  X    -0.0149    0.0000   -0.0055   -0.0108   -0.0025    0.0202
            Y    -0.0036    0.0003    0.0091    0.0006   -0.0011   -0.0096
            Z    -0.0127   -0.0101   -0.0123   -0.0097   -0.0019    0.0159
 AT. 120 O  X     0.0149    0.0000    0.0055    0.0108   -0.0025    0.0202
            Y     0.0036   -0.0003   -0.0091   -0.0006   -0.0011   -0.0096
            Z    -0.0127   -0.0101   -0.0123   -0.0097    0.0019   -0.0159
 AT. 121 O  X    -0.0149    0.0000    0.0055    0.0108    0.0025   -0.0202
            Y     0.0036    0.0003    0.0091    0.0006   -0.0011   -0.0096
            Z     0.0127   -0.0101   -0.0123   -0.0097   -0.0019    0.0159
 AT. 122 O  X     0.0149    0.0000   -0.0055   -0.0108    0.0025   -0.0202
            Y    -0.0036   -0.0003   -0.0091   -0.0006   -0.0011   -0.0096
            Z     0.0127   -0.0101   -0.0123   -0.0097    0.0019   -0.0159
 AT. 123 O  X     0.0149    0.0000   -0.0055    0.0108    0.0025    0.0202
            Y     0.0036    0.0003    0.0091   -0.0006    0.0011   -0.0096
            Z     0.0127   -0.0101   -0.0123    0.0097    0.0019    0.0159
 AT. 124 O  X    -0.0149    0.0000    0.0055   -0.0108    0.0025    0.0202
            Y    -0.0036   -0.0003   -0.0091    0.0006    0.0011   -0.0096
            Z     0.0127   -0.0101   -0.0123    0.0097   -0.0019   -0.0159

 FREQ(CM**-1)    192.93    194.53    194.74    195.66    199.77    201.37

 AT.   1 SI X     0.0017    0.0027    0.0031    0.0030    0.0044   -0.0009
            Y    -0.0047    0.0007    0.0059    0.0116    0.0117   -0.0082
            Z    -0.0056    0.0012    0.0062    0.0032    0.0024   -0.0055
 AT.   2 SI X     0.0017   -0.0027    0.0031   -0.0030   -0.0044   -0.0009
            Y    -0.0047   -0.0007    0.0059   -0.0116   -0.0117   -0.0082
            Z     0.0056    0.0012   -0.0062    0.0032    0.0024    0.0055
 AT.   3 SI X     0.0017    0.0027    0.0031    0.0030   -0.0044   -0.0009
            Y     0.0047   -0.0007   -0.0059   -0.0116    0.0117    0.0082
            Z     0.0056   -0.0012   -0.0062   -0.0032    0.0024    0.0055
 AT.   4 SI X     0.0017   -0.0027    0.0031   -0.0030    0.0044   -0.0009
            Y     0.0047    0.0007   -0.0059    0.0116   -0.0117    0.0082
            Z    -0.0056   -0.0012    0.0062   -0.0032    0.0024   -0.0055
 AT.   5 SI X     0.0017    0.0027    0.0031    0.0030   -0.0044    0.0009
            Y    -0.0047    0.0007    0.0059    0.0116   -0.0117    0.0082
            Z    -0.0056    0.0012    0.0062    0.0032   -0.0024    0.0055
 AT.   6 SI X     0.0017   -0.0027    0.0031   -0.0030    0.0044    0.0009
            Y    -0.0047   -0.0007    0.0059   -0.0116    0.0117    0.0082
            Z     0.0056    0.0012   -0.0062    0.0032   -0.0024   -0.0055
 AT.   7 SI X     0.0017    0.0027    0.0031    0.0030    0.0044    0.0009
            Y     0.0047   -0.0007   -0.0059   -0.0116   -0.0117   -0.0082
            Z     0.0056   -0.0012   -0.0062   -0.0032   -0.0024   -0.0055
 AT.   8 SI X     0.0017   -0.0027    0.0031   -0.0030   -0.0044    0.0009
            Y     0.0047    0.0007   -0.0059    0.0116    0.0117   -0.0082
            Z    -0.0056   -0.0012    0.0062   -0.0032   -0.0024    0.0055
 AT.   9 SI X     0.0020    0.0002   -0.0002    0.0013   -0.0044    0.0041
            Y     0.0033   -0.0097   -0.0028    0.0068    0.0028   -0.0022
            Z    -0.0042   -0.0045    0.0014    0.0079    0.0066    0.0086
 AT.  10 SI X     0.0020   -0.0002   -0.0002   -0.0013    0.0044    0.0041
            Y     0.0033    0.0097   -0.0028   -0.0068   -0.0028   -0.0022
            Z     0.0042   -0.0045   -0.0014    0.0079    0.0066   -0.0086
 AT.  11 SI X     0.0020    0.0002   -0.0002    0.0013    0.0044    0.0041
            Y    -0.0033    0.0097    0.0028   -0.0068    0.0028    0.0022
            Z     0.0042    0.0045   -0.0014   -0.0079    0.0066   -0.0086
 AT.  12 SI X     0.0020   -0.0002   -0.0002   -0.0013   -0.0044    0.0041
            Y    -0.0033   -0.0097    0.0028    0.0068   -0.0028    0.0022
            Z    -0.0042    0.0045    0.0014   -0.0079    0.0066    0.0086
 AT.  13 SI X     0.0020    0.0002   -0.0002    0.0013    0.0044   -0.0041
            Y     0.0033   -0.0097   -0.0028    0.0068   -0.0028    0.0022
            Z    -0.0042   -0.0045    0.0014    0.0079   -0.0066   -0.0086
 AT.  14 SI X     0.0020   -0.0002   -0.0002   -0.0013   -0.0044   -0.0041
            Y     0.0033    0.0097   -0.0028   -0.0068    0.0028    0.0022
            Z     0.0042   -0.0045   -0.0014    0.0079   -0.0066    0.0086
 AT.  15 SI X     0.0020    0.0002   -0.0002    0.0013   -0.0044   -0.0041
            Y    -0.0033    0.0097    0.0028   -0.0068   -0.0028   -0.0022
            Z     0.0042    0.0045   -0.0014   -0.0079   -0.0066    0.0086
 AT.  16 SI X     0.0020   -0.0002   -0.0002   -0.0013    0.0044   -0.0041
            Y    -0.0033   -0.0097    0.0028    0.0068    0.0028   -0.0022
            Z    -0.0042    0.0045    0.0014   -0.0079   -0.0066   -0.0086
 AT.  17 SI X    -0.0033    0.0000    0.0037    0.0000    0.0035   -0.0012
            Y     0.0000   -0.0043    0.0000    0.0020    0.0000    0.0000
            Z    -0.0104    0.0000    0.0007    0.0000    0.0053    0.0049
 AT.  18 SI X    -0.0033    0.0000    0.0037    0.0000   -0.0035   -0.0012
            Y     0.0000    0.0043    0.0000   -0.0020    0.0000    0.0000
            Z     0.0104    0.0000   -0.0007    0.0000    0.0053   -0.0049
 AT.  19 SI X    -0.0033    0.0000    0.0037    0.0000   -0.0035    0.0012
            Y     0.0000   -0.0043    0.0000    0.0020    0.0000    0.0000
            Z    -0.0104    0.0000    0.0007    0.0000   -0.0053   -0.0049
 AT.  20 SI X    -0.0033    0.0000    0.0037    0.0000    0.0035    0.0012
            Y     0.0000    0.0043    0.0000   -0.0020    0.0000    0.0000
            Z     0.0104    0.0000   -0.0007    0.0000   -0.0053    0.0049
 AT.  21 CA X     0.0002   -0.0174   -0.0194   -0.0111    0.0035   -0.0022
            Y     0.0120    0.0216    0.0211    0.0052   -0.0156    0.0054
            Z    -0.0100   -0.0029    0.0090    0.0179   -0.0154    0.0235
 AT.  22 CA X     0.0002    0.0174   -0.0194    0.0111   -0.0035   -0.0022
            Y     0.0120   -0.0216    0.0211   -0.0052    0.0156    0.0054
            Z     0.0100   -0.0029   -0.0090    0.0179   -0.0154   -0.0235
 AT.  23 CA X     0.0002   -0.0174   -0.0194   -0.0111   -0.0035   -0.0022
            Y    -0.0120   -0.0216   -0.0211   -0.0052   -0.0156   -0.0054
            Z     0.0100    0.0029   -0.0090   -0.0179   -0.0154   -0.0235
 AT.  24 CA X     0.0002    0.0174   -0.0194    0.0111    0.0035   -0.0022
            Y    -0.0120    0.0216   -0.0211    0.0052    0.0156   -0.0054
            Z    -0.0100    0.0029    0.0090   -0.0179   -0.0154    0.0235
 AT.  25 CA X     0.0002   -0.0174   -0.0194   -0.0111   -0.0035    0.0022
            Y     0.0120    0.0216    0.0211    0.0052    0.0156   -0.0054
            Z    -0.0100   -0.0029    0.0090    0.0179    0.0154   -0.0235
 AT.  26 CA X     0.0002    0.0174   -0.0194    0.0111    0.0035    0.0022
            Y     0.0120   -0.0216    0.0211   -0.0052   -0.0156   -0.0054
            Z     0.0100   -0.0029   -0.0090    0.0179    0.0154    0.0235
 AT.  27 CA X     0.0002   -0.0174   -0.0194   -0.0111    0.0035    0.0022
            Y    -0.0120   -0.0216   -0.0211   -0.0052    0.0156    0.0054
            Z     0.0100    0.0029   -0.0090   -0.0179    0.0154    0.0235
 AT.  28 CA X     0.0002    0.0174   -0.0194    0.0111   -0.0035    0.0022
            Y    -0.0120    0.0216   -0.0211    0.0052   -0.0156    0.0054
            Z    -0.0100    0.0029    0.0090   -0.0179    0.0154   -0.0235
 AT.  29 CA X    -0.0115    0.0164    0.0277    0.0210    0.0000    0.0000
            Y     0.0016   -0.0161   -0.0125    0.0027    0.0000    0.0000
            Z     0.0045   -0.0144   -0.0199   -0.0122    0.0000    0.0000
 AT.  30 CA X    -0.0115   -0.0164    0.0277   -0.0210    0.0000    0.0000
            Y     0.0016    0.0161   -0.0125   -0.0027    0.0000    0.0000
            Z    -0.0045   -0.0144    0.0199   -0.0122    0.0000    0.0000
 AT.  31 CA X    -0.0115    0.0164    0.0277    0.0210    0.0000    0.0000
            Y    -0.0016    0.0161    0.0125   -0.0027    0.0000    0.0000
            Z    -0.0045    0.0144    0.0199    0.0122    0.0000    0.0000
 AT.  32 CA X    -0.0115   -0.0164    0.0277   -0.0210    0.0000    0.0000
            Y    -0.0016   -0.0161    0.0125    0.0027    0.0000    0.0000
            Z     0.0045    0.0144   -0.0199    0.0122    0.0000    0.0000
 AT.  33 CA X     0.0156    0.0048   -0.0018   -0.0012    0.0072   -0.0036
            Y    -0.0086   -0.0086   -0.0063    0.0013    0.0098    0.0036
            Z     0.0169    0.0048   -0.0008   -0.0035    0.0053    0.0021
 AT.  34 CA X     0.0156   -0.0048   -0.0018    0.0012   -0.0072   -0.0036
            Y    -0.0086    0.0086   -0.0063   -0.0013   -0.0098    0.0036
            Z    -0.0169    0.0048    0.0008   -0.0035    0.0053   -0.0021
 AT.  35 CA X     0.0156    0.0048   -0.0018   -0.0012   -0.0072   -0.0036
            Y     0.0086    0.0086    0.0063   -0.0013    0.0098   -0.0036
            Z    -0.0169   -0.0048    0.0008    0.0035    0.0053   -0.0021
 AT.  36 CA X     0.0156   -0.0048   -0.0018    0.0012    0.0072   -0.0036
            Y     0.0086   -0.0086    0.0063    0.0013   -0.0098   -0.0036
            Z     0.0169   -0.0048   -0.0008    0.0035    0.0053    0.0021
 AT.  37 CA X     0.0156    0.0048   -0.0018   -0.0012   -0.0072    0.0036
            Y    -0.0086   -0.0086   -0.0063    0.0013   -0.0098   -0.0036
            Z     0.0169    0.0048   -0.0008   -0.0035   -0.0053   -0.0021
 AT.  38 CA X     0.0156   -0.0048   -0.0018    0.0012    0.0072    0.0036
            Y    -0.0086    0.0086   -0.0063   -0.0013    0.0098   -0.0036
            Z    -0.0169    0.0048    0.0008   -0.0035   -0.0053    0.0021
 AT.  39 CA X     0.0156    0.0048   -0.0018   -0.0012    0.0072    0.0036
            Y     0.0086    0.0086    0.0063   -0.0013   -0.0098    0.0036
            Z    -0.0169   -0.0048    0.0008    0.0035   -0.0053    0.0021
 AT.  40 CA X     0.0156   -0.0048   -0.0018    0.0012   -0.0072    0.0036
            Y     0.0086   -0.0086    0.0063    0.0013    0.0098    0.0036
            Z     0.0169   -0.0048   -0.0008    0.0035   -0.0053   -0.0021
 AT.  41 CA X    -0.0144    0.0025    0.0016   -0.0064    0.0000   -0.0050
            Y     0.0201    0.0094    0.0089    0.0096    0.0045   -0.0034
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 AT.  42 CA X    -0.0144   -0.0025    0.0016    0.0064    0.0000   -0.0050
            Y     0.0201   -0.0094    0.0089   -0.0096   -0.0045   -0.0034
            Z     0.0042    0.0096   -0.0039   -0.0146    0.0017    0.0112
 AT.  43 CA X    -0.0144    0.0025    0.0016   -0.0064    0.0000   -0.0050
            Y    -0.0201   -0.0094   -0.0089   -0.0096    0.0045    0.0034
            Z     0.0042   -0.0096   -0.0039    0.0146    0.0017    0.0112
 AT.  44 CA X    -0.0144   -0.0025    0.0016    0.0064    0.0000   -0.0050
            Y    -0.0201    0.0094   -0.0089    0.0096   -0.0045    0.0034
            Z    -0.0042   -0.0096    0.0039    0.0146    0.0017   -0.0112
 AT.  45 CA X    -0.0144    0.0025    0.0016   -0.0064    0.0000    0.0050
            Y     0.0201    0.0094    0.0089    0.0096   -0.0045    0.0034
            Z    -0.0042    0.0096    0.0039   -0.0146   -0.0017    0.0112
 AT.  46 CA X    -0.0144   -0.0025    0.0016    0.0064    0.0000    0.0050
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            Z     0.0042    0.0096   -0.0039   -0.0146   -0.0017   -0.0112
 AT.  47 CA X    -0.0144    0.0025    0.0016   -0.0064    0.0000    0.0050
            Y    -0.0201   -0.0094   -0.0089   -0.0096   -0.0045   -0.0034
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 AT.  49 CA X     0.0002    0.0000   -0.0005    0.0000   -0.0087   -0.0091
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 AT.  50 CA X     0.0002    0.0000   -0.0005    0.0000    0.0087   -0.0091
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 AT.  51 CA X     0.0002    0.0000   -0.0005    0.0000    0.0087    0.0091
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 AT.  52 CA X     0.0002    0.0000   -0.0005    0.0000   -0.0087    0.0091
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 AT.  53 O  X    -0.0043   -0.0050   -0.0014    0.0076    0.0131   -0.0081
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            Y    -0.0015   -0.0034    0.0071   -0.0095   -0.0066   -0.0048
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            Y     0.0015   -0.0034   -0.0071   -0.0095    0.0066    0.0048
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            Y     0.0015    0.0034   -0.0071    0.0095   -0.0066    0.0048
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            Y    -0.0015    0.0034    0.0071    0.0095   -0.0066    0.0048
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            Y    -0.0034   -0.0002    0.0030    0.0096    0.0032    0.0009
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 AT.  63 O  X     0.0032    0.0083    0.0025   -0.0065   -0.0007   -0.0044
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            Y    -0.0034   -0.0002    0.0030    0.0096   -0.0032   -0.0009
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            Y    -0.0034    0.0002    0.0030   -0.0096    0.0032   -0.0009
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 AT.  67 O  X     0.0032    0.0083    0.0025   -0.0065    0.0007    0.0044
            Y     0.0034    0.0002   -0.0030   -0.0096   -0.0032    0.0009
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 AT.  68 O  X     0.0032   -0.0083    0.0025    0.0065   -0.0007    0.0044
            Y     0.0034   -0.0002   -0.0030    0.0096    0.0032    0.0009
            Z    -0.0044   -0.0044    0.0061    0.0024   -0.0064    0.0106
 AT.  69 O  X     0.0042    0.0003   -0.0003   -0.0016   -0.0019    0.0111
            Y    -0.0028   -0.0008    0.0046    0.0082    0.0167   -0.0158
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 AT.  70 O  X     0.0042   -0.0003   -0.0003    0.0016    0.0019    0.0111
            Y    -0.0028    0.0008    0.0046   -0.0082   -0.0167   -0.0158
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 AT.  71 O  X     0.0042    0.0003   -0.0003   -0.0016    0.0019    0.0111
            Y     0.0028    0.0008   -0.0046   -0.0082    0.0167    0.0158
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 AT.  72 O  X     0.0042   -0.0003   -0.0003    0.0016   -0.0019    0.0111
            Y     0.0028   -0.0008   -0.0046    0.0082   -0.0167    0.0158
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 AT.  73 O  X     0.0042    0.0003   -0.0003   -0.0016    0.0019   -0.0111
            Y    -0.0028   -0.0008    0.0046    0.0082   -0.0167    0.0158
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 AT.  74 O  X     0.0042   -0.0003   -0.0003    0.0016   -0.0019   -0.0111
            Y    -0.0028    0.0008    0.0046   -0.0082    0.0167    0.0158
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            Y     0.0028    0.0008   -0.0046   -0.0082   -0.0167   -0.0158
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 AT.  76 O  X     0.0042   -0.0003   -0.0003    0.0016    0.0019   -0.0111
            Y     0.0028   -0.0008   -0.0046    0.0082    0.0167   -0.0158
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 AT.  77 O  X     0.0014    0.0029    0.0030    0.0025    0.0049   -0.0014
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 AT.  78 O  X     0.0014   -0.0029    0.0030   -0.0025   -0.0049   -0.0014
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 AT.  79 O  X     0.0014    0.0029    0.0030    0.0025   -0.0049   -0.0014
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 AT.  80 O  X     0.0014   -0.0029    0.0030   -0.0025    0.0049   -0.0014
            Y     0.0102   -0.0119    0.0033    0.0150   -0.0177    0.0100
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 AT.  81 O  X     0.0014    0.0029    0.0030    0.0025   -0.0049    0.0014
            Y    -0.0102   -0.0119   -0.0033    0.0150   -0.0177    0.0100
            Z     0.0002   -0.0030   -0.0022   -0.0022   -0.0020   -0.0114
 AT.  82 O  X     0.0014   -0.0029    0.0030   -0.0025    0.0049    0.0014
            Y    -0.0102    0.0119   -0.0033   -0.0150    0.0177    0.0100
            Z    -0.0002   -0.0030    0.0022   -0.0022   -0.0020    0.0114
 AT.  83 O  X     0.0014    0.0029    0.0030    0.0025    0.0049    0.0014
            Y     0.0102    0.0119    0.0033   -0.0150   -0.0177   -0.0100
            Z    -0.0002    0.0030    0.0022    0.0022   -0.0020    0.0114
 AT.  84 O  X     0.0014   -0.0029    0.0030   -0.0025   -0.0049    0.0014
            Y     0.0102   -0.0119    0.0033    0.0150    0.0177   -0.0100
            Z     0.0002    0.0030   -0.0022    0.0022   -0.0020   -0.0114
 AT.  85 O  X     0.0036    0.0018   -0.0003   -0.0004   -0.0122    0.0057
            Y     0.0086   -0.0055   -0.0053   -0.0017   -0.0093    0.0021
            Z    -0.0061   -0.0056    0.0024    0.0106    0.0093    0.0063
 AT.  86 O  X     0.0036   -0.0018   -0.0003    0.0004    0.0122    0.0057
            Y     0.0086    0.0055   -0.0053    0.0017    0.0093    0.0021
            Z     0.0061   -0.0056   -0.0024    0.0106    0.0093   -0.0063
 AT.  87 O  X     0.0036    0.0018   -0.0003   -0.0004    0.0122    0.0057
            Y    -0.0086    0.0055    0.0053    0.0017   -0.0093   -0.0021
            Z     0.0061    0.0056   -0.0024   -0.0106    0.0093   -0.0063
 AT.  88 O  X     0.0036   -0.0018   -0.0003    0.0004   -0.0122    0.0057
            Y    -0.0086   -0.0055    0.0053   -0.0017    0.0093   -0.0021
            Z    -0.0061    0.0056    0.0024   -0.0106    0.0093    0.0063
 AT.  89 O  X     0.0036    0.0018   -0.0003   -0.0004    0.0122   -0.0057
            Y     0.0086   -0.0055   -0.0053   -0.0017    0.0093   -0.0021
            Z    -0.0061   -0.0056    0.0024    0.0106   -0.0093   -0.0063
 AT.  90 O  X     0.0036   -0.0018   -0.0003    0.0004   -0.0122   -0.0057
            Y     0.0086    0.0055   -0.0053    0.0017   -0.0093   -0.0021
            Z     0.0061   -0.0056   -0.0024    0.0106   -0.0093    0.0063
 AT.  91 O  X     0.0036    0.0018   -0.0003   -0.0004   -0.0122   -0.0057
            Y    -0.0086    0.0055    0.0053    0.0017    0.0093    0.0021
            Z     0.0061    0.0056   -0.0024   -0.0106   -0.0093    0.0063
 AT.  92 O  X     0.0036   -0.0018   -0.0003    0.0004    0.0122   -0.0057
            Y    -0.0086   -0.0055    0.0053   -0.0017   -0.0093    0.0021
            Z    -0.0061    0.0056    0.0024   -0.0106   -0.0093   -0.0063
 AT.  93 O  X    -0.0050   -0.0055   -0.0039    0.0013    0.0008    0.0055
            Y     0.0062   -0.0069   -0.0006    0.0081    0.0028   -0.0026
            Z     0.0005   -0.0013   -0.0034   -0.0041   -0.0042    0.0133
 AT.  94 O  X    -0.0050    0.0055   -0.0039   -0.0013   -0.0008    0.0055
            Y     0.0062    0.0069   -0.0006   -0.0081   -0.0028   -0.0026
            Z    -0.0005   -0.0013    0.0034   -0.0041   -0.0042   -0.0133
 AT.  95 O  X    -0.0050   -0.0055   -0.0039    0.0013   -0.0008    0.0055
            Y    -0.0062    0.0069    0.0006   -0.0081    0.0028    0.0026
            Z    -0.0005    0.0013    0.0034    0.0041   -0.0042   -0.0133
 AT.  96 O  X    -0.0050    0.0055   -0.0039   -0.0013    0.0008    0.0055
            Y    -0.0062   -0.0069    0.0006    0.0081   -0.0028    0.0026
            Z     0.0005    0.0013   -0.0034    0.0041   -0.0042    0.0133
 AT.  97 O  X    -0.0050   -0.0055   -0.0039    0.0013   -0.0008   -0.0055
            Y     0.0062   -0.0069   -0.0006    0.0081   -0.0028    0.0026
            Z     0.0005   -0.0013   -0.0034   -0.0041    0.0042   -0.0133
 AT.  98 O  X    -0.0050    0.0055   -0.0039   -0.0013    0.0008   -0.0055
            Y     0.0062    0.0069   -0.0006   -0.0081    0.0028    0.0026
            Z    -0.0005   -0.0013    0.0034   -0.0041    0.0042    0.0133
 AT.  99 O  X    -0.0050   -0.0055   -0.0039    0.0013    0.0008   -0.0055
            Y    -0.0062    0.0069    0.0006   -0.0081   -0.0028   -0.0026
            Z    -0.0005    0.0013    0.0034    0.0041    0.0042    0.0133
 AT. 100 O  X    -0.0050    0.0055   -0.0039   -0.0013   -0.0008   -0.0055
            Y    -0.0062   -0.0069    0.0006    0.0081    0.0028   -0.0026
            Z     0.0005    0.0013   -0.0034    0.0041    0.0042   -0.0133
 AT. 101 O  X     0.0028   -0.0008    0.0033    0.0039   -0.0028    0.0045
            Y    -0.0041   -0.0078    0.0012    0.0072    0.0150   -0.0063
            Z    -0.0092   -0.0046    0.0021    0.0093    0.0153    0.0012
 AT. 102 O  X     0.0028    0.0008    0.0033   -0.0039    0.0028    0.0045
            Y    -0.0041    0.0078    0.0012   -0.0072   -0.0150   -0.0063
            Z     0.0092   -0.0046   -0.0021    0.0093    0.0153   -0.0012
 AT. 103 O  X     0.0028   -0.0008    0.0033    0.0039    0.0028    0.0045
            Y     0.0041    0.0078   -0.0012   -0.0072    0.0150    0.0063
            Z     0.0092    0.0046   -0.0021   -0.0093    0.0153   -0.0012
 AT. 104 O  X     0.0028    0.0008    0.0033   -0.0039   -0.0028    0.0045
            Y     0.0041   -0.0078   -0.0012    0.0072   -0.0150    0.0063
            Z    -0.0092    0.0046    0.0021   -0.0093    0.0153    0.0012
 AT. 105 O  X     0.0028   -0.0008    0.0033    0.0039    0.0028   -0.0045
            Y    -0.0041   -0.0078    0.0012    0.0072   -0.0150    0.0063
            Z    -0.0092   -0.0046    0.0021    0.0093   -0.0153   -0.0012
 AT. 106 O  X     0.0028    0.0008    0.0033   -0.0039   -0.0028   -0.0045
            Y    -0.0041    0.0078    0.0012   -0.0072    0.0150    0.0063
            Z     0.0092   -0.0046   -0.0021    0.0093   -0.0153    0.0012
 AT. 107 O  X     0.0028   -0.0008    0.0033    0.0039   -0.0028   -0.0045
            Y     0.0041    0.0078   -0.0012   -0.0072   -0.0150   -0.0063
            Z     0.0092    0.0046   -0.0021   -0.0093   -0.0153    0.0012
 AT. 108 O  X     0.0028    0.0008    0.0033   -0.0039    0.0028   -0.0045
            Y     0.0041   -0.0078   -0.0012    0.0072    0.0150   -0.0063
            Z    -0.0092    0.0046    0.0021   -0.0093   -0.0153   -0.0012
 AT. 109 O  X     0.0025    0.0001   -0.0002    0.0011   -0.0054    0.0036
            Y    -0.0067   -0.0155   -0.0090    0.0053    0.0100    0.0026
            Z     0.0052   -0.0064   -0.0028    0.0051    0.0165   -0.0034
 AT. 110 O  X     0.0025   -0.0001   -0.0002   -0.0011    0.0054    0.0036
            Y    -0.0067    0.0155   -0.0090   -0.0053   -0.0100    0.0026
            Z    -0.0052   -0.0064    0.0028    0.0051    0.0165    0.0034
 AT. 111 O  X     0.0025    0.0001   -0.0002    0.0011    0.0054    0.0036
            Y     0.0067    0.0155    0.0090   -0.0053    0.0100   -0.0026
            Z    -0.0052    0.0064    0.0028   -0.0051    0.0165    0.0034
 AT. 112 O  X     0.0025   -0.0001   -0.0002   -0.0011   -0.0054    0.0036
            Y     0.0067   -0.0155    0.0090    0.0053   -0.0100   -0.0026
            Z     0.0052    0.0064   -0.0028   -0.0051    0.0165   -0.0034
 AT. 113 O  X     0.0025    0.0001   -0.0002    0.0011    0.0054   -0.0036
            Y    -0.0067   -0.0155   -0.0090    0.0053   -0.0100   -0.0026
            Z     0.0052   -0.0064   -0.0028    0.0051   -0.0165    0.0034
 AT. 114 O  X     0.0025   -0.0001   -0.0002   -0.0011   -0.0054   -0.0036
            Y    -0.0067    0.0155   -0.0090   -0.0053    0.0100   -0.0026
            Z    -0.0052   -0.0064    0.0028    0.0051   -0.0165   -0.0034
 AT. 115 O  X     0.0025    0.0001   -0.0002    0.0011   -0.0054   -0.0036
            Y     0.0067    0.0155    0.0090   -0.0053   -0.0100    0.0026
            Z    -0.0052    0.0064    0.0028   -0.0051   -0.0165   -0.0034
 AT. 116 O  X     0.0025   -0.0001   -0.0002   -0.0011    0.0054   -0.0036
            Y     0.0067   -0.0155    0.0090    0.0053    0.0100    0.0026
            Z     0.0052    0.0064   -0.0028   -0.0051   -0.0165    0.0034
 AT. 117 O  X    -0.0010   -0.0068    0.0038    0.0127    0.0081   -0.0035
            Y    -0.0047   -0.0022    0.0010   -0.0026    0.0047    0.0084
            Z    -0.0068    0.0049   -0.0006   -0.0085   -0.0039   -0.0033
 AT. 118 O  X    -0.0010    0.0068    0.0038   -0.0127   -0.0081   -0.0035
            Y    -0.0047    0.0022    0.0010    0.0026   -0.0047    0.0084
            Z     0.0068    0.0049    0.0006   -0.0085   -0.0039    0.0033
 AT. 119 O  X    -0.0010   -0.0068    0.0038    0.0127   -0.0081   -0.0035
            Y     0.0047    0.0022   -0.0010    0.0026    0.0047   -0.0084
            Z     0.0068   -0.0049    0.0006    0.0085   -0.0039    0.0033
 AT. 120 O  X    -0.0010    0.0068    0.0038   -0.0127    0.0081   -0.0035
            Y     0.0047   -0.0022   -0.0010   -0.0026   -0.0047   -0.0084
            Z    -0.0068   -0.0049   -0.0006    0.0085   -0.0039   -0.0033
 AT. 121 O  X    -0.0010   -0.0068    0.0038    0.0127   -0.0081    0.0035
            Y    -0.0047   -0.0022    0.0010   -0.0026   -0.0047   -0.0084
            Z    -0.0068    0.0049   -0.0006   -0.0085    0.0039    0.0033
 AT. 122 O  X    -0.0010    0.0068    0.0038   -0.0127    0.0081    0.0035
            Y    -0.0047    0.0022    0.0010    0.0026    0.0047   -0.0084
            Z     0.0068    0.0049    0.0006   -0.0085    0.0039   -0.0033
 AT. 123 O  X    -0.0010   -0.0068    0.0038    0.0127    0.0081    0.0035
            Y     0.0047    0.0022   -0.0010    0.0026   -0.0047    0.0084
            Z     0.0068   -0.0049    0.0006    0.0085    0.0039   -0.0033
 AT. 124 O  X    -0.0010    0.0068    0.0038   -0.0127   -0.0081    0.0035
            Y     0.0047   -0.0022   -0.0010   -0.0026    0.0047    0.0084
            Z    -0.0068   -0.0049   -0.0006    0.0085    0.0039    0.0033

 FREQ(CM**-1)    201.91    201.93    202.97    204.70    205.00    208.33

 AT.   1 SI X     0.0046    0.0041    0.0033    0.0022    0.0046   -0.0051
            Y    -0.0029    0.0056   -0.0094    0.0004   -0.0056    0.0052
            Z     0.0069   -0.0068   -0.0043   -0.0060    0.0026    0.0067
 AT.   2 SI X    -0.0046   -0.0041   -0.0033    0.0022    0.0046   -0.0051
            Y     0.0029   -0.0056    0.0094    0.0004   -0.0056    0.0052
            Z     0.0069   -0.0068   -0.0043    0.0060   -0.0026   -0.0067
 AT.   3 SI X    -0.0046   -0.0041    0.0033   -0.0022   -0.0046   -0.0051
            Y    -0.0029    0.0056    0.0094    0.0004   -0.0056   -0.0052
            Z     0.0069   -0.0068    0.0043   -0.0060    0.0026   -0.0067
 AT.   4 SI X     0.0046    0.0041   -0.0033   -0.0022   -0.0046   -0.0051
            Y     0.0029   -0.0056   -0.0094    0.0004   -0.0056   -0.0052
            Z     0.0069   -0.0068    0.0043    0.0060   -0.0026    0.0067
 AT.   5 SI X     0.0046   -0.0041   -0.0033   -0.0022    0.0046    0.0051
            Y    -0.0029   -0.0056    0.0094   -0.0004   -0.0056   -0.0052
            Z     0.0069    0.0068    0.0043    0.0060    0.0026   -0.0067
 AT.   6 SI X    -0.0046    0.0041    0.0033   -0.0022    0.0046    0.0051
            Y     0.0029    0.0056   -0.0094   -0.0004   -0.0056   -0.0052
            Z     0.0069    0.0068    0.0043   -0.0060   -0.0026    0.0067
 AT.   7 SI X    -0.0046    0.0041   -0.0033    0.0022   -0.0046    0.0051
            Y    -0.0029   -0.0056   -0.0094   -0.0004   -0.0056    0.0052
            Z     0.0069    0.0068   -0.0043    0.0060    0.0026    0.0067
 AT.   8 SI X     0.0046   -0.0041    0.0033    0.0022   -0.0046    0.0051
            Y     0.0029    0.0056    0.0094   -0.0004   -0.0056    0.0052
            Z     0.0069    0.0068   -0.0043   -0.0060   -0.0026   -0.0067
 AT.   9 SI X    -0.0007    0.0070    0.0055    0.0040    0.0106    0.0000
            Y     0.0008    0.0063    0.0110    0.0168    0.0001    0.0084
            Z     0.0077    0.0056    0.0031    0.0020   -0.0064    0.0030
 AT.  10 SI X     0.0007   -0.0070   -0.0055    0.0040    0.0106    0.0000
            Y    -0.0008   -0.0063   -0.0110    0.0168    0.0001    0.0084
            Z     0.0077    0.0056    0.0031   -0.0020    0.0064   -0.0030
 AT.  11 SI X     0.0007   -0.0070    0.0055   -0.0040   -0.0106    0.0000
            Y     0.0008    0.0063   -0.0110    0.0168    0.0001   -0.0084
            Z     0.0077    0.0056   -0.0031    0.0020   -0.0064   -0.0030
 AT.  12 SI X    -0.0007    0.0070   -0.0055   -0.0040   -0.0106    0.0000
            Y    -0.0008   -0.0063    0.0110    0.0168    0.0001   -0.0084
            Z     0.0077    0.0056   -0.0031   -0.0020    0.0064    0.0030
 AT.  13 SI X    -0.0007   -0.0070   -0.0055   -0.0040    0.0106    0.0000
            Y     0.0008   -0.0063   -0.0110   -0.0168    0.0001   -0.0084
            Z     0.0077   -0.0056   -0.0031   -0.0020   -0.0064   -0.0030
 AT.  14 SI X     0.0007    0.0070    0.0055   -0.0040    0.0106    0.0000
            Y    -0.0008    0.0063    0.0110   -0.0168    0.0001   -0.0084
            Z     0.0077   -0.0056   -0.0031    0.0020    0.0064    0.0030
 AT.  15 SI X     0.0007    0.0070   -0.0055    0.0040   -0.0106    0.0000
            Y     0.0008   -0.0063    0.0110   -0.0168    0.0001    0.0084
            Z     0.0077   -0.0056    0.0031   -0.0020   -0.0064    0.0030
 AT.  16 SI X    -0.0007   -0.0070    0.0055    0.0040   -0.0106    0.0000
            Y    -0.0008    0.0063   -0.0110   -0.0168    0.0001    0.0084
            Z     0.0077   -0.0056    0.0031    0.0020    0.0064   -0.0030
 AT.  17 SI X     0.0039   -0.0126    0.0000    0.0000    0.0000    0.0046
            Y     0.0000    0.0000   -0.0164    0.0078   -0.0054    0.0000
            Z    -0.0011   -0.0024    0.0000    0.0000    0.0000   -0.0167
 AT.  18 SI X    -0.0039    0.0126    0.0000    0.0000    0.0000    0.0046
            Y     0.0000    0.0000    0.0164    0.0078   -0.0054    0.0000
            Z    -0.0011   -0.0024    0.0000    0.0000    0.0000    0.0167
 AT.  19 SI X     0.0039    0.0126    0.0000    0.0000    0.0000   -0.0046
            Y     0.0000    0.0000    0.0164   -0.0078   -0.0054    0.0000
            Z    -0.0011    0.0024    0.0000    0.0000    0.0000    0.0167
 AT.  20 SI X    -0.0039   -0.0126    0.0000    0.0000    0.0000   -0.0046
            Y     0.0000    0.0000   -0.0164   -0.0078   -0.0054    0.0000
            Z    -0.0011    0.0024    0.0000    0.0000    0.0000   -0.0167
 AT.  21 CA X    -0.0038   -0.0140   -0.0016   -0.0095   -0.0180   -0.0090
            Y    -0.0020    0.0077   -0.0075    0.0056    0.0044    0.0115
            Z    -0.0179   -0.0030    0.0029   -0.0168    0.0125    0.0037
 AT.  22 CA X     0.0038    0.0140    0.0016   -0.0095   -0.0180   -0.0090
            Y     0.0020   -0.0077    0.0075    0.0056    0.0044    0.0115
            Z    -0.0179   -0.0030    0.0029    0.0168   -0.0125   -0.0037
 AT.  23 CA X     0.0038    0.0140   -0.0016    0.0095    0.0180   -0.0090
            Y    -0.0020    0.0077    0.0075    0.0056    0.0044   -0.0115
            Z    -0.0179   -0.0030   -0.0029   -0.0168    0.0125   -0.0037
 AT.  24 CA X    -0.0038   -0.0140    0.0016    0.0095    0.0180   -0.0090
            Y     0.0020   -0.0077   -0.0075    0.0056    0.0044   -0.0115
            Z    -0.0179   -0.0030   -0.0029    0.0168   -0.0125    0.0037
 AT.  25 CA X    -0.0038    0.0140    0.0016    0.0095   -0.0180    0.0090
            Y    -0.0020   -0.0077    0.0075   -0.0056    0.0044   -0.0115
            Z    -0.0179    0.0030   -0.0029    0.0168    0.0125   -0.0037
 AT.  26 CA X     0.0038   -0.0140   -0.0016    0.0095   -0.0180    0.0090
            Y     0.0020    0.0077   -0.0075   -0.0056    0.0044   -0.0115
            Z    -0.0179    0.0030   -0.0029   -0.0168   -0.0125    0.0037
 AT.  27 CA X     0.0038   -0.0140    0.0016   -0.0095    0.0180    0.0090
            Y    -0.0020   -0.0077   -0.0075   -0.0056    0.0044    0.0115
            Z    -0.0179    0.0030    0.0029    0.0168    0.0125    0.0037
 AT.  28 CA X    -0.0038    0.0140   -0.0016   -0.0095    0.0180    0.0090
            Y     0.0020    0.0077    0.0075   -0.0056    0.0044    0.0115
            Z    -0.0179    0.0030    0.0029   -0.0168   -0.0125   -0.0037
 AT.  29 CA X     0.0044    0.0000    0.0000    0.0000    0.0029    0.0000
            Y     0.0212    0.0000    0.0000    0.0000   -0.0025    0.0000
            Z     0.0048    0.0000    0.0000    0.0000   -0.0035    0.0000
 AT.  30 CA X    -0.0044    0.0000    0.0000    0.0000    0.0029    0.0000
            Y    -0.0212    0.0000    0.0000    0.0000   -0.0025    0.0000
            Z     0.0048    0.0000    0.0000    0.0000    0.0035    0.0000
 AT.  31 CA X    -0.0044    0.0000    0.0000    0.0000   -0.0029    0.0000
            Y     0.0212    0.0000    0.0000    0.0000   -0.0025    0.0000
            Z     0.0048    0.0000    0.0000    0.0000   -0.0035    0.0000
 AT.  32 CA X     0.0044    0.0000    0.0000    0.0000   -0.0029    0.0000
            Y    -0.0212    0.0000    0.0000    0.0000   -0.0025    0.0000
            Z     0.0048    0.0000    0.0000    0.0000    0.0035    0.0000
 AT.  33 CA X    -0.0002    0.0186   -0.0036    0.0134   -0.0061   -0.0018
            Y    -0.0128   -0.0152    0.0022   -0.0066    0.0096   -0.0218
            Z     0.0076    0.0055   -0.0039    0.0069   -0.0077    0.0020
 AT.  34 CA X     0.0002   -0.0186    0.0036    0.0134   -0.0061   -0.0018
            Y     0.0128    0.0152   -0.0022   -0.0066    0.0096   -0.0218
            Z     0.0076    0.0055   -0.0039   -0.0069    0.0077   -0.0020
 AT.  35 CA X     0.0002   -0.0186   -0.0036   -0.0134    0.0061   -0.0018
            Y    -0.0128   -0.0152   -0.0022   -0.0066    0.0096    0.0218
            Z     0.0076    0.0055    0.0039    0.0069   -0.0077   -0.0020
 AT.  36 CA X    -0.0002    0.0186    0.0036   -0.0134    0.0061   -0.0018
            Y     0.0128    0.0152    0.0022   -0.0066    0.0096    0.0218
            Z     0.0076    0.0055    0.0039   -0.0069    0.0077    0.0020
 AT.  37 CA X    -0.0002   -0.0186    0.0036   -0.0134   -0.0061    0.0018
            Y    -0.0128    0.0152   -0.0022    0.0066    0.0096    0.0218
            Z     0.0076   -0.0055    0.0039   -0.0069   -0.0077   -0.0020
 AT.  38 CA X     0.0002    0.0186   -0.0036   -0.0134   -0.0061    0.0018
            Y     0.0128   -0.0152    0.0022    0.0066    0.0096    0.0218
            Z     0.0076   -0.0055    0.0039    0.0069    0.0077    0.0020
 AT.  39 CA X     0.0002    0.0186    0.0036    0.0134    0.0061    0.0018
            Y    -0.0128    0.0152    0.0022    0.0066    0.0096   -0.0218
            Z     0.0076   -0.0055   -0.0039   -0.0069   -0.0077    0.0020
 AT.  40 CA X    -0.0002   -0.0186   -0.0036    0.0134    0.0061    0.0018
            Y     0.0128   -0.0152   -0.0022    0.0066    0.0096   -0.0218
            Z     0.0076   -0.0055   -0.0039    0.0069    0.0077   -0.0020
 AT.  41 CA X    -0.0086   -0.0160   -0.0139   -0.0095   -0.0197    0.0098
            Y     0.0036    0.0096    0.0146    0.0009    0.0082   -0.0086
            Z    -0.0181   -0.0008   -0.0034   -0.0084   -0.0004   -0.0046
 AT.  42 CA X     0.0086    0.0160    0.0139   -0.0095   -0.0197    0.0098
            Y    -0.0036   -0.0096   -0.0146    0.0009    0.0082   -0.0086
            Z    -0.0181   -0.0008   -0.0034    0.0084    0.0004    0.0046
 AT.  43 CA X     0.0086    0.0160   -0.0139    0.0095    0.0197    0.0098
            Y     0.0036    0.0096   -0.0146    0.0009    0.0082    0.0086
            Z    -0.0181   -0.0008    0.0034   -0.0084   -0.0004    0.0046
 AT.  44 CA X    -0.0086   -0.0160    0.0139    0.0095    0.0197    0.0098
            Y    -0.0036   -0.0096    0.0146    0.0009    0.0082    0.0086
            Z    -0.0181   -0.0008    0.0034    0.0084    0.0004   -0.0046
 AT.  45 CA X    -0.0086    0.0160    0.0139    0.0095   -0.0197   -0.0098
            Y     0.0036   -0.0096   -0.0146   -0.0009    0.0082    0.0086
            Z    -0.0181    0.0008    0.0034    0.0084   -0.0004    0.0046
 AT.  46 CA X     0.0086   -0.0160   -0.0139    0.0095   -0.0197   -0.0098
            Y    -0.0036    0.0096    0.0146   -0.0009    0.0082    0.0086
            Z    -0.0181    0.0008    0.0034   -0.0084    0.0004   -0.0046
 AT.  47 CA X     0.0086   -0.0160    0.0139   -0.0095    0.0197   -0.0098
            Y     0.0036   -0.0096    0.0146   -0.0009    0.0082   -0.0086
            Z    -0.0181    0.0008   -0.0034    0.0084   -0.0004   -0.0046
 AT.  48 CA X    -0.0086    0.0160   -0.0139   -0.0095    0.0197   -0.0098
            Y    -0.0036    0.0096   -0.0146   -0.0009    0.0082   -0.0086
            Z    -0.0181    0.0008   -0.0034   -0.0084    0.0004    0.0046
 AT.  49 CA X    -0.0078    0.0013    0.0000    0.0000    0.0000   -0.0044
            Y     0.0000    0.0000   -0.0185    0.0025   -0.0052    0.0000
            Z    -0.0062   -0.0021    0.0000    0.0000    0.0000    0.0113
 AT.  50 CA X     0.0078   -0.0013    0.0000    0.0000    0.0000   -0.0044
            Y     0.0000    0.0000    0.0185    0.0025   -0.0052    0.0000
            Z    -0.0062   -0.0021    0.0000    0.0000    0.0000   -0.0113
 AT.  51 CA X    -0.0078   -0.0013    0.0000    0.0000    0.0000    0.0044
            Y     0.0000    0.0000    0.0185   -0.0025   -0.0052    0.0000
            Z    -0.0062    0.0021    0.0000    0.0000    0.0000   -0.0113
 AT.  52 CA X     0.0078    0.0013    0.0000    0.0000    0.0000    0.0044
            Y     0.0000    0.0000   -0.0185   -0.0025   -0.0052    0.0000
            Z    -0.0062    0.0021    0.0000    0.0000    0.0000    0.0113
 AT.  53 O  X     0.0040    0.0055    0.0012    0.0038   -0.0006   -0.0076
            Y    -0.0022    0.0040   -0.0076   -0.0002   -0.0025    0.0045
            Z     0.0046   -0.0113   -0.0039   -0.0138    0.0012    0.0018
 AT.  54 O  X    -0.0040   -0.0055   -0.0012    0.0038   -0.0006   -0.0076
            Y     0.0022   -0.0040    0.0076   -0.0002   -0.0025    0.0045
            Z     0.0046   -0.0113   -0.0039    0.0138   -0.0012   -0.0018
 AT.  55 O  X    -0.0040   -0.0055    0.0012   -0.0038    0.0006   -0.0076
            Y    -0.0022    0.0040    0.0076   -0.0002   -0.0025   -0.0045
            Z     0.0046   -0.0113    0.0039   -0.0138    0.0012   -0.0018
 AT.  56 O  X     0.0040    0.0055   -0.0012   -0.0038    0.0006   -0.0076
            Y     0.0022   -0.0040   -0.0076   -0.0002   -0.0025   -0.0045
            Z     0.0046   -0.0113    0.0039    0.0138   -0.0012    0.0018
 AT.  57 O  X     0.0040   -0.0055   -0.0012   -0.0038   -0.0006    0.0076
            Y    -0.0022   -0.0040    0.0076    0.0002   -0.0025   -0.0045
            Z     0.0046    0.0113    0.0039    0.0138    0.0012   -0.0018
 AT.  58 O  X    -0.0040    0.0055    0.0012   -0.0038   -0.0006    0.0076
            Y     0.0022    0.0040   -0.0076    0.0002   -0.0025   -0.0045
            Z     0.0046    0.0113    0.0039   -0.0138   -0.0012    0.0018
 AT.  59 O  X    -0.0040    0.0055   -0.0012    0.0038    0.0006    0.0076
            Y    -0.0022   -0.0040   -0.0076    0.0002   -0.0025    0.0045
            Z     0.0046    0.0113   -0.0039    0.0138    0.0012    0.0018
 AT.  60 O  X     0.0040   -0.0055    0.0012    0.0038    0.0006    0.0076
            Y     0.0022    0.0040    0.0076    0.0002   -0.0025    0.0045
            Z     0.0046    0.0113   -0.0039   -0.0138   -0.0012   -0.0018
 AT.  61 O  X    -0.0094    0.0021    0.0024    0.0002    0.0032   -0.0092
            Y    -0.0022   -0.0054   -0.0079   -0.0106   -0.0060    0.0014
            Z    -0.0017   -0.0019   -0.0043   -0.0011    0.0024    0.0060
 AT.  62 O  X     0.0094   -0.0021   -0.0024    0.0002    0.0032   -0.0092
            Y     0.0022    0.0054    0.0079   -0.0106   -0.0060    0.0014
            Z    -0.0017   -0.0019   -0.0043    0.0011   -0.0024   -0.0060
 AT.  63 O  X     0.0094   -0.0021    0.0024   -0.0002   -0.0032   -0.0092
            Y    -0.0022   -0.0054    0.0079   -0.0106   -0.0060   -0.0014
            Z    -0.0017   -0.0019    0.0043   -0.0011    0.0024   -0.0060
 AT.  64 O  X    -0.0094    0.0021   -0.0024   -0.0002   -0.0032   -0.0092
            Y     0.0022    0.0054   -0.0079   -0.0106   -0.0060   -0.0014
            Z    -0.0017   -0.0019    0.0043    0.0011   -0.0024    0.0060
 AT.  65 O  X    -0.0094   -0.0021   -0.0024   -0.0002    0.0032    0.0092
            Y    -0.0022    0.0054    0.0079    0.0106   -0.0060   -0.0014
            Z    -0.0017    0.0019    0.0043    0.0011    0.0024   -0.0060
 AT.  66 O  X     0.0094    0.0021    0.0024   -0.0002    0.0032    0.0092
            Y     0.0022   -0.0054   -0.0079    0.0106   -0.0060   -0.0014
            Z    -0.0017    0.0019    0.0043   -0.0011   -0.0024    0.0060
 AT.  67 O  X     0.0094    0.0021   -0.0024    0.0002   -0.0032    0.0092
            Y    -0.0022    0.0054   -0.0079    0.0106   -0.0060    0.0014
            Z    -0.0017    0.0019   -0.0043    0.0011    0.0024    0.0060
 AT.  68 O  X    -0.0094   -0.0021    0.0024    0.0002   -0.0032    0.0092
            Y     0.0022   -0.0054    0.0079    0.0106   -0.0060    0.0014
            Z    -0.0017    0.0019   -0.0043   -0.0011   -0.0024   -0.0060
 AT.  69 O  X     0.0148    0.0005    0.0060   -0.0031    0.0007    0.0002
            Y    -0.0036    0.0086   -0.0071    0.0085   -0.0026    0.0052
            Z     0.0006   -0.0028   -0.0041    0.0021    0.0070    0.0040
 AT.  70 O  X    -0.0148   -0.0005   -0.0060   -0.0031    0.0007    0.0002
            Y     0.0036   -0.0086    0.0071    0.0085   -0.0026    0.0052
            Z     0.0006   -0.0028   -0.0041   -0.0021   -0.0070   -0.0040
 AT.  71 O  X    -0.0148   -0.0005    0.0060    0.0031   -0.0007    0.0002
            Y    -0.0036    0.0086    0.0071    0.0085   -0.0026   -0.0052
            Z     0.0006   -0.0028    0.0041    0.0021    0.0070   -0.0040
 AT.  72 O  X     0.0148    0.0005   -0.0060    0.0031   -0.0007    0.0002
            Y     0.0036   -0.0086   -0.0071    0.0085   -0.0026   -0.0052
            Z     0.0006   -0.0028    0.0041   -0.0021   -0.0070    0.0040
 AT.  73 O  X     0.0148   -0.0005   -0.0060    0.0031    0.0007   -0.0002
            Y    -0.0036   -0.0086    0.0071   -0.0085   -0.0026   -0.0052
            Z     0.0006    0.0028    0.0041   -0.0021    0.0070   -0.0040
 AT.  74 O  X    -0.0148    0.0005    0.0060    0.0031    0.0007   -0.0002
            Y     0.0036    0.0086   -0.0071   -0.0085   -0.0026   -0.0052
            Z     0.0006    0.0028    0.0041    0.0021   -0.0070    0.0040
 AT.  75 O  X    -0.0148    0.0005   -0.0060   -0.0031   -0.0007   -0.0002
            Y    -0.0036   -0.0086   -0.0071   -0.0085   -0.0026    0.0052
            Z     0.0006    0.0028   -0.0041   -0.0021    0.0070    0.0040
 AT.  76 O  X     0.0148   -0.0005    0.0060   -0.0031   -0.0007   -0.0002
            Y     0.0036    0.0086    0.0071   -0.0085   -0.0026    0.0052
            Z     0.0006    0.0028   -0.0041    0.0021   -0.0070   -0.0040
 AT.  77 O  X     0.0041    0.0039    0.0031    0.0017    0.0035   -0.0055
            Y     0.0004    0.0045   -0.0037    0.0034   -0.0056    0.0007
            Z     0.0191   -0.0078   -0.0002   -0.0060    0.0011    0.0106
 AT.  78 O  X    -0.0041   -0.0039   -0.0031    0.0017    0.0035   -0.0055
            Y    -0.0004   -0.0045    0.0037    0.0034   -0.0056    0.0007
            Z     0.0191   -0.0078   -0.0002    0.0060   -0.0011   -0.0106
 AT.  79 O  X    -0.0041   -0.0039    0.0031   -0.0017   -0.0035   -0.0055
            Y     0.0004    0.0045    0.0037    0.0034   -0.0056   -0.0007
            Z     0.0191   -0.0078    0.0002   -0.0060    0.0011   -0.0106
 AT.  80 O  X     0.0041    0.0039   -0.0031   -0.0017   -0.0035   -0.0055
            Y    -0.0004   -0.0045   -0.0037    0.0034   -0.0056   -0.0007
            Z     0.0191   -0.0078    0.0002    0.0060   -0.0011    0.0106
 AT.  81 O  X     0.0041   -0.0039   -0.0031   -0.0017    0.0035    0.0055
            Y     0.0004   -0.0045    0.0037   -0.0034   -0.0056   -0.0007
            Z     0.0191    0.0078    0.0002    0.0060    0.0011   -0.0106
 AT.  82 O  X    -0.0041    0.0039    0.0031   -0.0017    0.0035    0.0055
            Y    -0.0004    0.0045   -0.0037   -0.0034   -0.0056   -0.0007
            Z     0.0191    0.0078    0.0002   -0.0060   -0.0011    0.0106
 AT.  83 O  X    -0.0041    0.0039   -0.0031    0.0017   -0.0035    0.0055
            Y     0.0004   -0.0045   -0.0037   -0.0034   -0.0056    0.0007
            Z     0.0191    0.0078   -0.0002    0.0060    0.0011    0.0106
 AT.  84 O  X     0.0041   -0.0039    0.0031    0.0017   -0.0035    0.0055
            Y    -0.0004    0.0045    0.0037   -0.0034   -0.0056    0.0007
            Z     0.0191    0.0078   -0.0002   -0.0060   -0.0011   -0.0106
 AT.  85 O  X    -0.0071    0.0025    0.0059   -0.0007    0.0175   -0.0012
            Y     0.0039    0.0109    0.0201    0.0219    0.0030    0.0183
            Z     0.0021   -0.0007   -0.0036   -0.0038   -0.0043   -0.0041
 AT.  86 O  X     0.0071   -0.0025   -0.0059   -0.0007    0.0175   -0.0012
            Y    -0.0039   -0.0109   -0.0201    0.0219    0.0030    0.0183
            Z     0.0021   -0.0007   -0.0036    0.0038    0.0043    0.0041
 AT.  87 O  X     0.0071   -0.0025    0.0059    0.0007   -0.0175   -0.0012
            Y     0.0039    0.0109   -0.0201    0.0219    0.0030   -0.0183
            Z     0.0021   -0.0007    0.0036   -0.0038   -0.0043    0.0041
 AT.  88 O  X    -0.0071    0.0025   -0.0059    0.0007   -0.0175   -0.0012
            Y    -0.0039   -0.0109    0.0201    0.0219    0.0030   -0.0183
            Z     0.0021   -0.0007    0.0036    0.0038    0.0043   -0.0041
 AT.  89 O  X    -0.0071   -0.0025   -0.0059    0.0007    0.0175    0.0012
            Y     0.0039   -0.0109   -0.0201   -0.0219    0.0030   -0.0183
            Z     0.0021    0.0007    0.0036    0.0038   -0.0043    0.0041
 AT.  90 O  X     0.0071    0.0025    0.0059    0.0007    0.0175    0.0012
            Y    -0.0039    0.0109    0.0201   -0.0219    0.0030   -0.0183
            Z     0.0021    0.0007    0.0036   -0.0038    0.0043   -0.0041
 AT.  91 O  X     0.0071    0.0025   -0.0059   -0.0007   -0.0175    0.0012
            Y     0.0039   -0.0109    0.0201   -0.0219    0.0030    0.0183
            Z     0.0021    0.0007   -0.0036    0.0038   -0.0043   -0.0041
 AT.  92 O  X    -0.0071   -0.0025    0.0059   -0.0007   -0.0175    0.0012
            Y    -0.0039    0.0109   -0.0201   -0.0219    0.0030    0.0183
            Z     0.0021    0.0007   -0.0036   -0.0038    0.0043    0.0041
 AT.  93 O  X    -0.0025    0.0102    0.0092    0.0092    0.0049    0.0017
            Y     0.0017    0.0035    0.0075    0.0122    0.0014    0.0054
            Z     0.0077    0.0110    0.0142    0.0101    0.0016    0.0093
 AT.  94 O  X     0.0025   -0.0102   -0.0092    0.0092    0.0049    0.0017
            Y    -0.0017   -0.0035   -0.0075    0.0122    0.0014    0.0054
            Z     0.0077    0.0110    0.0142   -0.0101   -0.0016   -0.0093
 AT.  95 O  X     0.0025   -0.0102    0.0092   -0.0092   -0.0049    0.0017
            Y     0.0017    0.0035   -0.0075    0.0122    0.0014   -0.0054
            Z     0.0077    0.0110   -0.0142    0.0101    0.0016   -0.0093
 AT.  96 O  X    -0.0025    0.0102   -0.0092   -0.0092   -0.0049    0.0017
            Y    -0.0017   -0.0035    0.0075    0.0122    0.0014   -0.0054
            Z     0.0077    0.0110   -0.0142   -0.0101   -0.0016    0.0093
 AT.  97 O  X    -0.0025   -0.0102   -0.0092   -0.0092    0.0049   -0.0017
            Y     0.0017   -0.0035   -0.0075   -0.0122    0.0014   -0.0054
            Z     0.0077   -0.0110   -0.0142   -0.0101    0.0016   -0.0093
 AT.  98 O  X     0.0025    0.0102    0.0092   -0.0092    0.0049   -0.0017
            Y    -0.0017    0.0035    0.0075   -0.0122    0.0014   -0.0054
            Z     0.0077   -0.0110   -0.0142    0.0101   -0.0016    0.0093
 AT.  99 O  X     0.0025    0.0102   -0.0092    0.0092   -0.0049   -0.0017
            Y     0.0017   -0.0035    0.0075   -0.0122    0.0014    0.0054
            Z     0.0077   -0.0110    0.0142   -0.0101    0.0016    0.0093
 AT. 100 O  X    -0.0025   -0.0102    0.0092    0.0092   -0.0049   -0.0017
            Y    -0.0017    0.0035   -0.0075   -0.0122    0.0014    0.0054
            Z     0.0077   -0.0110    0.0142    0.0101   -0.0016   -0.0093
 AT. 101 O  X     0.0075   -0.0010   -0.0065   -0.0006   -0.0004    0.0089
            Y    -0.0005   -0.0077   -0.0121    0.0046   -0.0055    0.0030
            Z     0.0025   -0.0012   -0.0072   -0.0036   -0.0029   -0.0061
 AT. 102 O  X    -0.0075    0.0010    0.0065   -0.0006   -0.0004    0.0089
            Y     0.0005    0.0077    0.0121    0.0046   -0.0055    0.0030
            Z     0.0025   -0.0012   -0.0072    0.0036    0.0029    0.0061
 AT. 103 O  X    -0.0075    0.0010   -0.0065    0.0006    0.0004    0.0089
            Y    -0.0005   -0.0077    0.0121    0.0046   -0.0055   -0.0030
            Z     0.0025   -0.0012    0.0072   -0.0036   -0.0029    0.0061
 AT. 104 O  X     0.0075   -0.0010    0.0065    0.0006    0.0004    0.0089
            Y     0.0005    0.0077   -0.0121    0.0046   -0.0055   -0.0030
            Z     0.0025   -0.0012    0.0072    0.0036    0.0029   -0.0061
 AT. 105 O  X     0.0075    0.0010    0.0065    0.0006   -0.0004   -0.0089
            Y    -0.0005    0.0077    0.0121   -0.0046   -0.0055   -0.0030
            Z     0.0025    0.0012    0.0072    0.0036   -0.0029    0.0061
 AT. 106 O  X    -0.0075   -0.0010   -0.0065    0.0006   -0.0004   -0.0089
            Y     0.0005   -0.0077   -0.0121   -0.0046   -0.0055   -0.0030
            Z     0.0025    0.0012    0.0072   -0.0036    0.0029   -0.0061
 AT. 107 O  X    -0.0075   -0.0010    0.0065   -0.0006    0.0004   -0.0089
            Y    -0.0005    0.0077   -0.0121   -0.0046   -0.0055    0.0030
            Z     0.0025    0.0012   -0.0072    0.0036   -0.0029   -0.0061
 AT. 108 O  X     0.0075    0.0010   -0.0065   -0.0006    0.0004   -0.0089
            Y     0.0005   -0.0077    0.0121   -0.0046   -0.0055    0.0030
            Z     0.0025    0.0012   -0.0072   -0.0036    0.0029    0.0061
 AT. 109 O  X    -0.0007    0.0069    0.0049    0.0045    0.0104    0.0017
            Y     0.0004    0.0025    0.0067    0.0118   -0.0056   -0.0018
            Z     0.0159    0.0078   -0.0042    0.0101   -0.0212    0.0090
 AT. 110 O  X     0.0007   -0.0069   -0.0049    0.0045    0.0104    0.0017
            Y    -0.0004   -0.0025   -0.0067    0.0118   -0.0056   -0.0018
            Z     0.0159    0.0078   -0.0042   -0.0101    0.0212   -0.0090
 AT. 111 O  X     0.0007   -0.0069    0.0049   -0.0045   -0.0104    0.0017
            Y     0.0004    0.0025   -0.0067    0.0118   -0.0056    0.0018
            Z     0.0159    0.0078    0.0042    0.0101   -0.0212   -0.0090
 AT. 112 O  X    -0.0007    0.0069   -0.0049   -0.0045   -0.0104    0.0017
            Y    -0.0004   -0.0025    0.0067    0.0118   -0.0056    0.0018
            Z     0.0159    0.0078    0.0042   -0.0101    0.0212    0.0090
 AT. 113 O  X    -0.0007   -0.0069   -0.0049   -0.0045    0.0104   -0.0017
            Y     0.0004   -0.0025   -0.0067   -0.0118   -0.0056    0.0018
            Z     0.0159   -0.0078    0.0042   -0.0101   -0.0212   -0.0090
 AT. 114 O  X     0.0007    0.0069    0.0049   -0.0045    0.0104   -0.0017
            Y    -0.0004    0.0025    0.0067   -0.0118   -0.0056    0.0018
            Z     0.0159   -0.0078    0.0042    0.0101    0.0212    0.0090
 AT. 115 O  X     0.0007    0.0069   -0.0049    0.0045   -0.0104   -0.0017
            Y     0.0004   -0.0025    0.0067   -0.0118   -0.0056   -0.0018
            Z     0.0159   -0.0078   -0.0042   -0.0101   -0.0212    0.0090
 AT. 116 O  X    -0.0007   -0.0069    0.0049    0.0045   -0.0104   -0.0017
            Y    -0.0004    0.0025   -0.0067   -0.0118   -0.0056   -0.0018
            Z     0.0159   -0.0078   -0.0042    0.0101    0.0212   -0.0090
 AT. 117 O  X     0.0006   -0.0126   -0.0190   -0.0101   -0.0033    0.0093
            Y     0.0048   -0.0010   -0.0127    0.0044   -0.0080   -0.0007
            Z    -0.0026   -0.0010    0.0161    0.0120    0.0064   -0.0188
 AT. 118 O  X    -0.0006    0.0126    0.0190   -0.0101   -0.0033    0.0093
            Y    -0.0048    0.0010    0.0127    0.0044   -0.0080   -0.0007
            Z    -0.0026   -0.0010    0.0161   -0.0120   -0.0064    0.0188
 AT. 119 O  X    -0.0006    0.0126   -0.0190    0.0101    0.0033    0.0093
            Y     0.0048   -0.0010    0.0127    0.0044   -0.0080    0.0007
            Z    -0.0026   -0.0010   -0.0161    0.0120    0.0064    0.0188
 AT. 120 O  X     0.0006   -0.0126    0.0190    0.0101    0.0033    0.0093
            Y    -0.0048    0.0010   -0.0127    0.0044   -0.0080    0.0007
            Z    -0.0026   -0.0010   -0.0161   -0.0120   -0.0064   -0.0188
 AT. 121 O  X     0.0006    0.0126    0.0190    0.0101   -0.0033   -0.0093
            Y     0.0048    0.0010    0.0127   -0.0044   -0.0080    0.0007
            Z    -0.0026    0.0010   -0.0161   -0.0120    0.0064    0.0188
 AT. 122 O  X    -0.0006   -0.0126   -0.0190    0.0101   -0.0033   -0.0093
            Y    -0.0048   -0.0010   -0.0127   -0.0044   -0.0080    0.0007
            Z    -0.0026    0.0010   -0.0161    0.0120   -0.0064   -0.0188
 AT. 123 O  X    -0.0006   -0.0126    0.0190   -0.0101    0.0033   -0.0093
            Y     0.0048    0.0010   -0.0127   -0.0044   -0.0080   -0.0007
            Z    -0.0026    0.0010    0.0161   -0.0120    0.0064   -0.0188
 AT. 124 O  X     0.0006    0.0126   -0.0190   -0.0101    0.0033   -0.0093
            Y    -0.0048   -0.0010    0.0127   -0.0044   -0.0080   -0.0007
            Z    -0.0026    0.0010    0.0161    0.0120   -0.0064    0.0188

 FREQ(CM**-1)    209.62    210.30    210.37    211.89    212.94    213.14

 AT.   1 SI X     0.0062    0.0041   -0.0017   -0.0060    0.0023   -0.0045
            Y     0.0046    0.0000    0.0138   -0.0013    0.0103    0.0027
            Z    -0.0045   -0.0100    0.0001    0.0028    0.0014   -0.0057
 AT.   2 SI X     0.0062   -0.0041    0.0017    0.0060    0.0023   -0.0045
            Y     0.0046    0.0000   -0.0138    0.0013    0.0103    0.0027
            Z     0.0045   -0.0100    0.0001    0.0028   -0.0014    0.0057
 AT.   3 SI X     0.0062    0.0041    0.0017   -0.0060   -0.0023    0.0045
            Y    -0.0046    0.0000    0.0138    0.0013    0.0103    0.0027
            Z     0.0045    0.0100    0.0001   -0.0028    0.0014   -0.0057
 AT.   4 SI X     0.0062   -0.0041   -0.0017    0.0060   -0.0023    0.0045
            Y    -0.0046    0.0000   -0.0138   -0.0013    0.0103    0.0027
            Z    -0.0045    0.0100    0.0001   -0.0028   -0.0014    0.0057
 AT.   5 SI X     0.0062   -0.0041   -0.0017   -0.0060   -0.0023   -0.0045
            Y     0.0046    0.0000    0.0138   -0.0013   -0.0103    0.0027
            Z    -0.0045    0.0100    0.0001    0.0028   -0.0014   -0.0057
 AT.   6 SI X     0.0062    0.0041    0.0017    0.0060   -0.0023   -0.0045
            Y     0.0046    0.0000   -0.0138    0.0013   -0.0103    0.0027
            Z     0.0045    0.0100    0.0001    0.0028    0.0014    0.0057
 AT.   7 SI X     0.0062   -0.0041    0.0017   -0.0060    0.0023    0.0045
            Y    -0.0046    0.0000    0.0138    0.0013   -0.0103    0.0027
            Z     0.0045   -0.0100    0.0001   -0.0028   -0.0014   -0.0057
 AT.   8 SI X     0.0062    0.0041   -0.0017    0.0060    0.0023    0.0045
            Y    -0.0046    0.0000   -0.0138   -0.0013   -0.0103    0.0027
            Z    -0.0045   -0.0100    0.0001   -0.0028    0.0014    0.0057
 AT.   9 SI X     0.0027   -0.0106   -0.0020    0.0008   -0.0053    0.0003
            Y     0.0042    0.0026    0.0075   -0.0073    0.0012   -0.0064
            Z     0.0039    0.0039   -0.0009   -0.0027    0.0108   -0.0028
 AT.  10 SI X     0.0027    0.0106    0.0020   -0.0008   -0.0053    0.0003
            Y     0.0042   -0.0026   -0.0075    0.0073    0.0012   -0.0064
            Z    -0.0039    0.0039   -0.0009   -0.0027   -0.0108    0.0028
 AT.  11 SI X     0.0027   -0.0106    0.0020    0.0008    0.0053   -0.0003
            Y    -0.0042   -0.0026    0.0075    0.0073    0.0012   -0.0064
            Z    -0.0039   -0.0039   -0.0009    0.0027    0.0108   -0.0028
 AT.  12 SI X     0.0027    0.0106   -0.0020   -0.0008    0.0053   -0.0003
            Y    -0.0042    0.0026   -0.0075   -0.0073    0.0012   -0.0064
            Z     0.0039   -0.0039   -0.0009    0.0027   -0.0108    0.0028
 AT.  13 SI X     0.0027    0.0106   -0.0020    0.0008    0.0053    0.0003
            Y     0.0042   -0.0026    0.0075   -0.0073   -0.0012   -0.0064
            Z     0.0039   -0.0039   -0.0009   -0.0027   -0.0108   -0.0028
 AT.  14 SI X     0.0027   -0.0106    0.0020   -0.0008    0.0053    0.0003
            Y     0.0042    0.0026   -0.0075    0.0073   -0.0012   -0.0064
            Z    -0.0039   -0.0039   -0.0009   -0.0027    0.0108    0.0028
 AT.  15 SI X     0.0027    0.0106    0.0020    0.0008   -0.0053   -0.0003
            Y    -0.0042    0.0026    0.0075    0.0073   -0.0012   -0.0064
            Z    -0.0039    0.0039   -0.0009    0.0027   -0.0108   -0.0028
 AT.  16 SI X     0.0027   -0.0106   -0.0020   -0.0008   -0.0053   -0.0003
            Y    -0.0042   -0.0026   -0.0075   -0.0073   -0.0012   -0.0064
            Z     0.0039    0.0039   -0.0009    0.0027    0.0108    0.0028
 AT.  17 SI X    -0.0070    0.0000    0.0018    0.0000    0.0000    0.0000
            Y     0.0000   -0.0035    0.0000   -0.0032    0.0007    0.0073
            Z     0.0018    0.0000   -0.0023    0.0000    0.0000    0.0000
 AT.  18 SI X    -0.0070    0.0000   -0.0018    0.0000    0.0000    0.0000
            Y     0.0000    0.0035    0.0000    0.0032    0.0007    0.0073
            Z    -0.0018    0.0000   -0.0023    0.0000    0.0000    0.0000
 AT.  19 SI X    -0.0070    0.0000    0.0018    0.0000    0.0000    0.0000
            Y     0.0000    0.0035    0.0000   -0.0032   -0.0007    0.0073
            Z     0.0018    0.0000   -0.0023    0.0000    0.0000    0.0000
 AT.  20 SI X    -0.0070    0.0000   -0.0018    0.0000    0.0000    0.0000
            Y     0.0000   -0.0035    0.0000    0.0032   -0.0007    0.0073
            Z    -0.0018    0.0000   -0.0023    0.0000    0.0000    0.0000
 AT.  21 CA X    -0.0217    0.0139   -0.0054    0.0188    0.0108    0.0028
            Y    -0.0059   -0.0050   -0.0057    0.0023   -0.0169    0.0062
            Z    -0.0149    0.0219   -0.0124    0.0192   -0.0035    0.0157
 AT.  22 CA X    -0.0217   -0.0139    0.0054   -0.0188    0.0108    0.0028
            Y    -0.0059    0.0050    0.0057   -0.0023   -0.0169    0.0062
            Z     0.0149    0.0219   -0.0124    0.0192    0.0035   -0.0157
 AT.  23 CA X    -0.0217    0.0139    0.0054    0.0188   -0.0108   -0.0028
            Y     0.0059    0.0050   -0.0057   -0.0023   -0.0169    0.0062
            Z     0.0149   -0.0219   -0.0124   -0.0192   -0.0035    0.0157
 AT.  24 CA X    -0.0217   -0.0139   -0.0054   -0.0188   -0.0108   -0.0028
            Y     0.0059   -0.0050    0.0057    0.0023   -0.0169    0.0062
            Z    -0.0149   -0.0219   -0.0124   -0.0192    0.0035   -0.0157
 AT.  25 CA X    -0.0217   -0.0139   -0.0054    0.0188   -0.0108    0.0028
            Y    -0.0059    0.0050   -0.0057    0.0023    0.0169    0.0062
            Z    -0.0149   -0.0219   -0.0124    0.0192    0.0035    0.0157
 AT.  26 CA X    -0.0217    0.0139    0.0054   -0.0188   -0.0108    0.0028
            Y    -0.0059   -0.0050    0.0057   -0.0023    0.0169    0.0062
            Z     0.0149   -0.0219   -0.0124    0.0192   -0.0035   -0.0157
 AT.  27 CA X    -0.0217   -0.0139    0.0054    0.0188    0.0108   -0.0028
            Y     0.0059   -0.0050   -0.0057   -0.0023    0.0169    0.0062
            Z     0.0149    0.0219   -0.0124   -0.0192    0.0035    0.0157
 AT.  28 CA X    -0.0217    0.0139   -0.0054   -0.0188    0.0108   -0.0028
            Y     0.0059    0.0050    0.0057    0.0023    0.0169    0.0062
            Z    -0.0149    0.0219   -0.0124   -0.0192   -0.0035   -0.0157
 AT.  29 CA X     0.0098    0.0000   -0.0131   -0.0130    0.0000    0.0004
            Y    -0.0117    0.0000   -0.0213    0.0110    0.0000   -0.0192
            Z     0.0092    0.0000    0.0214   -0.0086    0.0000   -0.0106
 AT.  30 CA X     0.0098    0.0000    0.0131    0.0130    0.0000    0.0004
            Y    -0.0117    0.0000    0.0213   -0.0110    0.0000   -0.0192
            Z    -0.0092    0.0000    0.0214   -0.0086    0.0000    0.0106
 AT.  31 CA X     0.0098    0.0000    0.0131   -0.0130    0.0000   -0.0004
            Y     0.0117    0.0000   -0.0213   -0.0110    0.0000   -0.0192
            Z    -0.0092    0.0000    0.0214    0.0086    0.0000   -0.0106
 AT.  32 CA X     0.0098    0.0000   -0.0131    0.0130    0.0000   -0.0004
            Y     0.0117    0.0000    0.0213    0.0110    0.0000   -0.0192
            Z     0.0092    0.0000    0.0214    0.0086    0.0000    0.0106
 AT.  33 CA X     0.0121    0.0038   -0.0005   -0.0050    0.0015    0.0011
            Y    -0.0021    0.0012   -0.0187   -0.0004    0.0076    0.0156
            Z    -0.0019   -0.0054   -0.0085   -0.0013    0.0076   -0.0057
 AT.  34 CA X     0.0121   -0.0038    0.0005    0.0050    0.0015    0.0011
            Y    -0.0021   -0.0012    0.0187    0.0004    0.0076    0.0156
            Z     0.0019   -0.0054   -0.0085   -0.0013   -0.0076    0.0057
 AT.  35 CA X     0.0121    0.0038    0.0005   -0.0050   -0.0015   -0.0011
            Y     0.0021   -0.0012   -0.0187    0.0004    0.0076    0.0156
            Z     0.0019    0.0054   -0.0085    0.0013    0.0076   -0.0057
 AT.  36 CA X     0.0121   -0.0038   -0.0005    0.0050   -0.0015   -0.0011
            Y     0.0021    0.0012    0.0187   -0.0004    0.0076    0.0156
            Z    -0.0019    0.0054   -0.0085    0.0013   -0.0076    0.0057
 AT.  37 CA X     0.0121   -0.0038   -0.0005   -0.0050   -0.0015    0.0011
            Y    -0.0021   -0.0012   -0.0187   -0.0004   -0.0076    0.0156
            Z    -0.0019    0.0054   -0.0085   -0.0013   -0.0076   -0.0057
 AT.  38 CA X     0.0121    0.0038    0.0005    0.0050   -0.0015    0.0011
            Y    -0.0021    0.0012    0.0187    0.0004   -0.0076    0.0156
            Z     0.0019    0.0054   -0.0085   -0.0013    0.0076    0.0057
 AT.  39 CA X     0.0121   -0.0038    0.0005   -0.0050    0.0015   -0.0011
            Y     0.0021    0.0012   -0.0187    0.0004   -0.0076    0.0156
            Z     0.0019   -0.0054   -0.0085    0.0013   -0.0076   -0.0057
 AT.  40 CA X     0.0121    0.0038   -0.0005    0.0050    0.0015   -0.0011
            Y     0.0021   -0.0012    0.0187   -0.0004   -0.0076    0.0156
            Z    -0.0019   -0.0054   -0.0085    0.0013    0.0076    0.0057
 AT.  41 CA X    -0.0055    0.0119    0.0020    0.0036   -0.0051    0.0110
            Y    -0.0113   -0.0006    0.0009    0.0150    0.0034   -0.0122
            Z    -0.0008   -0.0057    0.0078    0.0033   -0.0031    0.0099
 AT.  42 CA X    -0.0055   -0.0119   -0.0020   -0.0036   -0.0051    0.0110
            Y    -0.0113    0.0006   -0.0009   -0.0150    0.0034   -0.0122
            Z     0.0008   -0.0057    0.0078    0.0033    0.0031   -0.0099
 AT.  43 CA X    -0.0055    0.0119   -0.0020    0.0036    0.0051   -0.0110
            Y     0.0113    0.0006    0.0009   -0.0150    0.0034   -0.0122
            Z     0.0008    0.0057    0.0078   -0.0033   -0.0031    0.0099
 AT.  44 CA X    -0.0055   -0.0119    0.0020   -0.0036    0.0051   -0.0110
            Y     0.0113   -0.0006   -0.0009    0.0150    0.0034   -0.0122
            Z    -0.0008    0.0057    0.0078   -0.0033    0.0031   -0.0099
 AT.  45 CA X    -0.0055   -0.0119    0.0020    0.0036    0.0051    0.0110
            Y    -0.0113    0.0006    0.0009    0.0150   -0.0034   -0.0122
            Z    -0.0008    0.0057    0.0078    0.0033    0.0031    0.0099
 AT.  46 CA X    -0.0055    0.0119   -0.0020   -0.0036    0.0051    0.0110
            Y    -0.0113   -0.0006   -0.0009   -0.0150   -0.0034   -0.0122
            Z     0.0008    0.0057    0.0078    0.0033   -0.0031   -0.0099
 AT.  47 CA X    -0.0055   -0.0119   -0.0020    0.0036   -0.0051   -0.0110
            Y     0.0113   -0.0006    0.0009   -0.0150   -0.0034   -0.0122
            Z     0.0008   -0.0057    0.0078   -0.0033    0.0031    0.0099
 AT.  48 CA X    -0.0055    0.0119    0.0020   -0.0036   -0.0051   -0.0110
            Y     0.0113    0.0006   -0.0009    0.0150   -0.0034   -0.0122
            Z    -0.0008   -0.0057    0.0078   -0.0033   -0.0031   -0.0099
 AT.  49 CA X    -0.0024    0.0000   -0.0004    0.0000    0.0000    0.0000
            Y     0.0000   -0.0116    0.0000   -0.0016   -0.0019    0.0050
            Z    -0.0049    0.0000    0.0082    0.0000    0.0000    0.0000
 AT.  50 CA X    -0.0024    0.0000    0.0004    0.0000    0.0000    0.0000
            Y     0.0000    0.0116    0.0000    0.0016   -0.0019    0.0050
            Z     0.0049    0.0000    0.0082    0.0000    0.0000    0.0000
 AT.  51 CA X    -0.0024    0.0000   -0.0004    0.0000    0.0000    0.0000
            Y     0.0000    0.0116    0.0000   -0.0016    0.0019    0.0050
            Z    -0.0049    0.0000    0.0082    0.0000    0.0000    0.0000
 AT.  52 CA X    -0.0024    0.0000    0.0004    0.0000    0.0000    0.0000
            Y     0.0000   -0.0116    0.0000    0.0016    0.0019    0.0050
            Z     0.0049    0.0000    0.0082    0.0000    0.0000    0.0000
 AT.  53 O  X     0.0122    0.0045    0.0069   -0.0090    0.0125   -0.0065
            Y     0.0002    0.0001    0.0086    0.0013    0.0046    0.0030
            Z     0.0032    0.0060    0.0004   -0.0041   -0.0062    0.0001
 AT.  54 O  X     0.0122   -0.0045   -0.0069    0.0090    0.0125   -0.0065
            Y     0.0002   -0.0001   -0.0086   -0.0013    0.0046    0.0030
            Z    -0.0032    0.0060    0.0004   -0.0041    0.0062   -0.0001
 AT.  55 O  X     0.0122    0.0045   -0.0069   -0.0090   -0.0125    0.0065
            Y    -0.0002   -0.0001    0.0086   -0.0013    0.0046    0.0030
            Z    -0.0032   -0.0060    0.0004    0.0041   -0.0062    0.0001
 AT.  56 O  X     0.0122   -0.0045    0.0069    0.0090   -0.0125    0.0065
            Y    -0.0002    0.0001   -0.0086    0.0013    0.0046    0.0030
            Z     0.0032   -0.0060    0.0004    0.0041    0.0062   -0.0001
 AT.  57 O  X     0.0122   -0.0045    0.0069   -0.0090   -0.0125   -0.0065
            Y     0.0002   -0.0001    0.0086    0.0013   -0.0046    0.0030
            Z     0.0032   -0.0060    0.0004   -0.0041    0.0062    0.0001
 AT.  58 O  X     0.0122    0.0045   -0.0069    0.0090   -0.0125   -0.0065
            Y     0.0002    0.0001   -0.0086   -0.0013   -0.0046    0.0030
            Z    -0.0032   -0.0060    0.0004   -0.0041   -0.0062   -0.0001
 AT.  59 O  X     0.0122   -0.0045   -0.0069   -0.0090    0.0125    0.0065
            Y    -0.0002    0.0001    0.0086   -0.0013   -0.0046    0.0030
            Z    -0.0032    0.0060    0.0004    0.0041    0.0062    0.0001
 AT.  60 O  X     0.0122    0.0045    0.0069    0.0090    0.0125    0.0065
            Y    -0.0002   -0.0001   -0.0086    0.0013   -0.0046    0.0030
            Z     0.0032    0.0060    0.0004    0.0041   -0.0062   -0.0001
 AT.  61 O  X     0.0003    0.0073   -0.0024    0.0021   -0.0057    0.0077
            Y     0.0027    0.0100    0.0087   -0.0005    0.0004    0.0032
            Z    -0.0061   -0.0122    0.0018    0.0059    0.0046    0.0017
 AT.  62 O  X     0.0003   -0.0073    0.0024   -0.0021   -0.0057    0.0077
            Y     0.0027   -0.0100   -0.0087    0.0005    0.0004    0.0032
            Z     0.0061   -0.0122    0.0018    0.0059   -0.0046   -0.0017
 AT.  63 O  X     0.0003    0.0073    0.0024    0.0021    0.0057   -0.0077
            Y    -0.0027   -0.0100    0.0087    0.0005    0.0004    0.0032
            Z     0.0061    0.0122    0.0018   -0.0059    0.0046    0.0017
 AT.  64 O  X     0.0003   -0.0073   -0.0024   -0.0021    0.0057   -0.0077
            Y    -0.0027    0.0100   -0.0087   -0.0005    0.0004    0.0032
            Z    -0.0061    0.0122    0.0018   -0.0059   -0.0046   -0.0017
 AT.  65 O  X     0.0003   -0.0073   -0.0024    0.0021    0.0057    0.0077
            Y     0.0027   -0.0100    0.0087   -0.0005   -0.0004    0.0032
            Z    -0.0061    0.0122    0.0018    0.0059   -0.0046    0.0017
 AT.  66 O  X     0.0003    0.0073    0.0024   -0.0021    0.0057    0.0077
            Y     0.0027    0.0100   -0.0087    0.0005   -0.0004    0.0032
            Z     0.0061    0.0122    0.0018    0.0059    0.0046   -0.0017
 AT.  67 O  X     0.0003   -0.0073    0.0024    0.0021   -0.0057   -0.0077
            Y    -0.0027    0.0100    0.0087    0.0005   -0.0004    0.0032
            Z     0.0061   -0.0122    0.0018   -0.0059   -0.0046    0.0017
 AT.  68 O  X     0.0003    0.0073   -0.0024   -0.0021   -0.0057   -0.0077
            Y    -0.0027   -0.0100   -0.0087   -0.0005   -0.0004    0.0032
            Z    -0.0061   -0.0122    0.0018   -0.0059    0.0046   -0.0017
 AT.  69 O  X     0.0031    0.0057   -0.0053   -0.0082   -0.0021   -0.0131
            Y    -0.0085   -0.0114    0.0096    0.0095    0.0174    0.0045
            Z    -0.0075   -0.0151   -0.0005    0.0073    0.0059    0.0012
 AT.  70 O  X     0.0031   -0.0057    0.0053    0.0082   -0.0021   -0.0131
            Y    -0.0085    0.0114   -0.0096   -0.0095    0.0174    0.0045
            Z     0.0075   -0.0151   -0.0005    0.0073   -0.0059   -0.0012
 AT.  71 O  X     0.0031    0.0057    0.0053   -0.0082    0.0021    0.0131
            Y     0.0085    0.0114    0.0096   -0.0095    0.0174    0.0045
            Z     0.0075    0.0151   -0.0005   -0.0073    0.0059    0.0012
 AT.  72 O  X     0.0031   -0.0057   -0.0053    0.0082    0.0021    0.0131
            Y     0.0085   -0.0114   -0.0096    0.0095    0.0174    0.0045
            Z    -0.0075    0.0151   -0.0005   -0.0073   -0.0059   -0.0012
 AT.  73 O  X     0.0031   -0.0057   -0.0053   -0.0082    0.0021   -0.0131
            Y    -0.0085    0.0114    0.0096    0.0095   -0.0174    0.0045
            Z    -0.0075    0.0151   -0.0005    0.0073   -0.0059    0.0012
 AT.  74 O  X     0.0031    0.0057    0.0053    0.0082    0.0021   -0.0131
            Y    -0.0085   -0.0114   -0.0096   -0.0095   -0.0174    0.0045
            Z     0.0075    0.0151   -0.0005    0.0073    0.0059   -0.0012
 AT.  75 O  X     0.0031   -0.0057    0.0053   -0.0082   -0.0021    0.0131
            Y     0.0085   -0.0114    0.0096   -0.0095   -0.0174    0.0045
            Z     0.0075   -0.0151   -0.0005   -0.0073   -0.0059    0.0012
 AT.  76 O  X     0.0031    0.0057   -0.0053    0.0082   -0.0021    0.0131
            Y     0.0085    0.0114   -0.0096    0.0095   -0.0174    0.0045
            Z    -0.0075   -0.0151   -0.0005   -0.0073    0.0059   -0.0012
 AT.  77 O  X     0.0061    0.0047   -0.0014   -0.0058    0.0027   -0.0042
            Y     0.0053   -0.0001    0.0150   -0.0009    0.0182   -0.0043
            Z     0.0045    0.0001   -0.0021   -0.0095    0.0034   -0.0130
 AT.  78 O  X     0.0061   -0.0047    0.0014    0.0058    0.0027   -0.0042
            Y     0.0053    0.0001   -0.0150    0.0009    0.0182   -0.0043
            Z    -0.0045    0.0001   -0.0021   -0.0095   -0.0034    0.0130
 AT.  79 O  X     0.0061    0.0047    0.0014   -0.0058   -0.0027    0.0042
            Y    -0.0053    0.0001    0.0150    0.0009    0.0182   -0.0043
            Z    -0.0045   -0.0001   -0.0021    0.0095    0.0034   -0.0130
 AT.  80 O  X     0.0061   -0.0047   -0.0014    0.0058   -0.0027    0.0042
            Y    -0.0053   -0.0001   -0.0150   -0.0009    0.0182   -0.0043
            Z     0.0045   -0.0001   -0.0021    0.0095   -0.0034    0.0130
 AT.  81 O  X     0.0061   -0.0047   -0.0014   -0.0058   -0.0027   -0.0042
            Y     0.0053    0.0001    0.0150   -0.0009   -0.0182   -0.0043
            Z     0.0045   -0.0001   -0.0021   -0.0095   -0.0034   -0.0130
 AT.  82 O  X     0.0061    0.0047    0.0014    0.0058   -0.0027   -0.0042
            Y     0.0053   -0.0001   -0.0150    0.0009   -0.0182   -0.0043
            Z    -0.0045   -0.0001   -0.0021   -0.0095    0.0034    0.0130
 AT.  83 O  X     0.0061   -0.0047    0.0014   -0.0058    0.0027    0.0042
            Y    -0.0053   -0.0001    0.0150    0.0009   -0.0182   -0.0043
            Z    -0.0045    0.0001   -0.0021    0.0095   -0.0034   -0.0130
 AT.  84 O  X     0.0061    0.0047   -0.0014    0.0058    0.0027    0.0042
            Y    -0.0053    0.0001   -0.0150   -0.0009   -0.0182   -0.0043
            Z     0.0045    0.0001   -0.0021    0.0095    0.0034    0.0130
 AT.  85 O  X    -0.0084   -0.0127   -0.0035    0.0121   -0.0149    0.0028
            Y    -0.0001   -0.0078    0.0083   -0.0053   -0.0087   -0.0165
            Z     0.0004    0.0085   -0.0029    0.0018    0.0105    0.0059
 AT.  86 O  X    -0.0084    0.0127    0.0035   -0.0121   -0.0149    0.0028
            Y    -0.0001    0.0078   -0.0083    0.0053   -0.0087   -0.0165
            Z    -0.0004    0.0085   -0.0029    0.0018   -0.0105   -0.0059
 AT.  87 O  X    -0.0084   -0.0127    0.0035    0.0121    0.0149   -0.0028
            Y     0.0001    0.0078    0.0083    0.0053   -0.0087   -0.0165
            Z    -0.0004   -0.0085   -0.0029   -0.0018    0.0105    0.0059
 AT.  88 O  X    -0.0084    0.0127   -0.0035   -0.0121    0.0149   -0.0028
            Y     0.0001   -0.0078   -0.0083   -0.0053   -0.0087   -0.0165
            Z     0.0004   -0.0085   -0.0029   -0.0018   -0.0105   -0.0059
 AT.  89 O  X    -0.0084    0.0127   -0.0035    0.0121    0.0149    0.0028
            Y    -0.0001    0.0078    0.0083   -0.0053    0.0087   -0.0165
            Z     0.0004   -0.0085   -0.0029    0.0018   -0.0105    0.0059
 AT.  90 O  X    -0.0084   -0.0127    0.0035   -0.0121    0.0149    0.0028
            Y    -0.0001   -0.0078   -0.0083    0.0053    0.0087   -0.0165
            Z    -0.0004   -0.0085   -0.0029    0.0018    0.0105   -0.0059
 AT.  91 O  X    -0.0084    0.0127    0.0035    0.0121   -0.0149   -0.0028
            Y     0.0001   -0.0078    0.0083    0.0053    0.0087   -0.0165
            Z    -0.0004    0.0085   -0.0029   -0.0018   -0.0105    0.0059
 AT.  92 O  X    -0.0084   -0.0127   -0.0035   -0.0121   -0.0149   -0.0028
            Y     0.0001    0.0078   -0.0083   -0.0053    0.0087   -0.0165
            Z     0.0004    0.0085   -0.0029   -0.0018    0.0105   -0.0059
 AT.  93 O  X     0.0142   -0.0062    0.0009   -0.0089   -0.0022    0.0016
            Y    -0.0011    0.0018    0.0059   -0.0024    0.0015   -0.0060
            Z     0.0042   -0.0115   -0.0038   -0.0035   -0.0018   -0.0073
 AT.  94 O  X     0.0142    0.0062   -0.0009    0.0089   -0.0022    0.0016
            Y    -0.0011   -0.0018   -0.0059    0.0024    0.0015   -0.0060
            Z    -0.0042   -0.0115   -0.0038   -0.0035    0.0018    0.0073
 AT.  95 O  X     0.0142   -0.0062   -0.0009   -0.0089    0.0022   -0.0016
            Y     0.0011   -0.0018    0.0059    0.0024    0.0015   -0.0060
            Z    -0.0042    0.0115   -0.0038    0.0035   -0.0018   -0.0073
 AT.  96 O  X     0.0142    0.0062    0.0009    0.0089    0.0022   -0.0016
            Y     0.0011    0.0018   -0.0059   -0.0024    0.0015   -0.0060
            Z     0.0042    0.0115   -0.0038    0.0035    0.0018    0.0073
 AT.  97 O  X     0.0142    0.0062    0.0009   -0.0089    0.0022    0.0016
            Y    -0.0011   -0.0018    0.0059   -0.0024   -0.0015   -0.0060
            Z     0.0042    0.0115   -0.0038   -0.0035    0.0018   -0.0073
 AT.  98 O  X     0.0142   -0.0062   -0.0009    0.0089    0.0022    0.0016
            Y    -0.0011    0.0018   -0.0059    0.0024   -0.0015   -0.0060
            Z    -0.0042    0.0115   -0.0038   -0.0035   -0.0018    0.0073
 AT.  99 O  X     0.0142    0.0062   -0.0009   -0.0089   -0.0022   -0.0016
            Y     0.0011    0.0018    0.0059    0.0024   -0.0015   -0.0060
            Z    -0.0042   -0.0115   -0.0038    0.0035    0.0018   -0.0073
 AT. 100 O  X     0.0142   -0.0062    0.0009    0.0089   -0.0022   -0.0016
            Y     0.0011   -0.0018   -0.0059   -0.0024   -0.0015   -0.0060
            Z     0.0042   -0.0115   -0.0038    0.0035   -0.0018    0.0073
 AT. 101 O  X    -0.0039   -0.0059   -0.0021   -0.0001    0.0046    0.0038
            Y     0.0015    0.0044    0.0066   -0.0035    0.0033    0.0060
            Z     0.0049    0.0016    0.0007   -0.0005    0.0091    0.0059
 AT. 102 O  X    -0.0039    0.0059    0.0021    0.0001    0.0046    0.0038
            Y     0.0015   -0.0044   -0.0066    0.0035    0.0033    0.0060
            Z    -0.0049    0.0016    0.0007   -0.0005   -0.0091   -0.0059
 AT. 103 O  X    -0.0039   -0.0059    0.0021   -0.0001   -0.0046   -0.0038
            Y    -0.0015   -0.0044    0.0066    0.0035    0.0033    0.0060
            Z    -0.0049   -0.0016    0.0007    0.0005    0.0091    0.0059
 AT. 104 O  X    -0.0039    0.0059   -0.0021    0.0001   -0.0046   -0.0038
            Y    -0.0015    0.0044   -0.0066   -0.0035    0.0033    0.0060
            Z     0.0049   -0.0016    0.0007    0.0005   -0.0091   -0.0059
 AT. 105 O  X    -0.0039    0.0059   -0.0021   -0.0001   -0.0046    0.0038
            Y     0.0015   -0.0044    0.0066   -0.0035   -0.0033    0.0060
            Z     0.0049   -0.0016    0.0007   -0.0005   -0.0091    0.0059
 AT. 106 O  X    -0.0039   -0.0059    0.0021    0.0001   -0.0046    0.0038
            Y     0.0015    0.0044   -0.0066    0.0035   -0.0033    0.0060
            Z    -0.0049   -0.0016    0.0007   -0.0005    0.0091   -0.0059
 AT. 107 O  X    -0.0039    0.0059    0.0021   -0.0001    0.0046   -0.0038
            Y    -0.0015    0.0044    0.0066    0.0035   -0.0033    0.0060
            Z    -0.0049    0.0016    0.0007    0.0005   -0.0091    0.0059
 AT. 108 O  X    -0.0039   -0.0059   -0.0021    0.0001    0.0046   -0.0038
            Y    -0.0015   -0.0044   -0.0066   -0.0035   -0.0033    0.0060
            Z     0.0049    0.0016    0.0007    0.0005    0.0091   -0.0059
 AT. 109 O  X     0.0021   -0.0110   -0.0016    0.0010   -0.0059    0.0005
            Y     0.0160    0.0055    0.0047   -0.0168    0.0076   -0.0008
            Z     0.0120    0.0087    0.0058   -0.0148    0.0233   -0.0054
 AT. 110 O  X     0.0021    0.0110    0.0016   -0.0010   -0.0059    0.0005
            Y     0.0160   -0.0055   -0.0047    0.0168    0.0076   -0.0008
            Z    -0.0120    0.0087    0.0058   -0.0148   -0.0233    0.0054
 AT. 111 O  X     0.0021   -0.0110    0.0016    0.0010    0.0059   -0.0005
            Y    -0.0160   -0.0055    0.0047    0.0168    0.0076   -0.0008
            Z    -0.0120   -0.0087    0.0058    0.0148    0.0233   -0.0054
 AT. 112 O  X     0.0021    0.0110   -0.0016   -0.0010    0.0059   -0.0005
            Y    -0.0160    0.0055   -0.0047   -0.0168    0.0076   -0.0008
            Z     0.0120   -0.0087    0.0058    0.0148   -0.0233    0.0054
 AT. 113 O  X     0.0021    0.0110   -0.0016    0.0010    0.0059    0.0005
            Y     0.0160   -0.0055    0.0047   -0.0168   -0.0076   -0.0008
            Z     0.0120   -0.0087    0.0058   -0.0148   -0.0233   -0.0054
 AT. 114 O  X     0.0021   -0.0110    0.0016   -0.0010    0.0059    0.0005
            Y     0.0160    0.0055   -0.0047    0.0168   -0.0076   -0.0008
            Z    -0.0120   -0.0087    0.0058   -0.0148    0.0233    0.0054
 AT. 115 O  X     0.0021    0.0110    0.0016    0.0010   -0.0059   -0.0005
            Y    -0.0160    0.0055    0.0047    0.0168   -0.0076   -0.0008
            Z    -0.0120    0.0087    0.0058    0.0148   -0.0233   -0.0054
 AT. 116 O  X     0.0021   -0.0110   -0.0016   -0.0010   -0.0059   -0.0005
            Y    -0.0160   -0.0055   -0.0047   -0.0168   -0.0076   -0.0008
            Z     0.0120    0.0087    0.0058    0.0148    0.0233    0.0054
 AT. 117 O  X    -0.0064   -0.0060    0.0037   -0.0013    0.0144    0.0096
            Y     0.0024   -0.0006   -0.0025   -0.0034   -0.0011    0.0046
            Z    -0.0011    0.0025   -0.0001    0.0020   -0.0133   -0.0070
 AT. 118 O  X    -0.0064    0.0060   -0.0037    0.0013    0.0144    0.0096
            Y     0.0024    0.0006    0.0025    0.0034   -0.0011    0.0046
            Z     0.0011    0.0025   -0.0001    0.0020    0.0133    0.0070
 AT. 119 O  X    -0.0064   -0.0060   -0.0037   -0.0013   -0.0144   -0.0096
            Y    -0.0024    0.0006   -0.0025    0.0034   -0.0011    0.0046
            Z     0.0011   -0.0025   -0.0001   -0.0020   -0.0133   -0.0070
 AT. 120 O  X    -0.0064    0.0060    0.0037    0.0013   -0.0144   -0.0096
            Y    -0.0024   -0.0006    0.0025   -0.0034   -0.0011    0.0046
            Z    -0.0011   -0.0025   -0.0001   -0.0020    0.0133    0.0070
 AT. 121 O  X    -0.0064    0.0060    0.0037   -0.0013   -0.0144    0.0096
            Y     0.0024    0.0006   -0.0025   -0.0034    0.0011    0.0046
            Z    -0.0011   -0.0025   -0.0001    0.0020    0.0133   -0.0070
 AT. 122 O  X    -0.0064   -0.0060   -0.0037    0.0013   -0.0144    0.0096
            Y     0.0024   -0.0006    0.0025    0.0034    0.0011    0.0046
            Z     0.0011   -0.0025   -0.0001    0.0020   -0.0133    0.0070
 AT. 123 O  X    -0.0064    0.0060   -0.0037   -0.0013    0.0144   -0.0096
            Y    -0.0024   -0.0006   -0.0025    0.0034    0.0011    0.0046
            Z     0.0011    0.0025   -0.0001   -0.0020    0.0133   -0.0070
 AT. 124 O  X    -0.0064   -0.0060    0.0037    0.0013    0.0144   -0.0096
            Y    -0.0024    0.0006    0.0025   -0.0034    0.0011    0.0046
            Z    -0.0011    0.0025   -0.0001   -0.0020   -0.0133    0.0070

 FREQ(CM**-1)    216.26    216.52    217.74    219.82    220.50    221.88

 AT.   1 SI X    -0.0004    0.0007    0.0017    0.0019   -0.0028   -0.0061
            Y    -0.0132   -0.0059    0.0056    0.0033   -0.0088   -0.0069
            Z     0.0021   -0.0018   -0.0097    0.0044    0.0008   -0.0024
 AT.   2 SI X    -0.0004    0.0007   -0.0017   -0.0019   -0.0028    0.0061
            Y    -0.0132   -0.0059   -0.0056   -0.0033   -0.0088    0.0069
            Z    -0.0021    0.0018   -0.0097    0.0044   -0.0008   -0.0024
 AT.   3 SI X     0.0004    0.0007    0.0017   -0.0019    0.0028   -0.0061
            Y    -0.0132    0.0059   -0.0056    0.0033   -0.0088    0.0069
            Z     0.0021    0.0018    0.0097    0.0044    0.0008    0.0024
 AT.   4 SI X     0.0004    0.0007   -0.0017    0.0019    0.0028    0.0061
            Y    -0.0132    0.0059    0.0056   -0.0033   -0.0088   -0.0069
            Z    -0.0021   -0.0018    0.0097    0.0044   -0.0008    0.0024
 AT.   5 SI X    -0.0004    0.0007   -0.0017   -0.0019    0.0028    0.0061
            Y    -0.0132   -0.0059   -0.0056   -0.0033    0.0088    0.0069
            Z     0.0021   -0.0018    0.0097   -0.0044   -0.0008    0.0024
 AT.   6 SI X    -0.0004    0.0007    0.0017    0.0019    0.0028   -0.0061
            Y    -0.0132   -0.0059    0.0056    0.0033    0.0088   -0.0069
            Z    -0.0021    0.0018    0.0097   -0.0044    0.0008    0.0024
 AT.   7 SI X     0.0004    0.0007   -0.0017    0.0019   -0.0028    0.0061
            Y    -0.0132    0.0059    0.0056   -0.0033    0.0088   -0.0069
            Z     0.0021    0.0018   -0.0097   -0.0044   -0.0008   -0.0024
 AT.   8 SI X     0.0004    0.0007    0.0017   -0.0019   -0.0028   -0.0061
            Y    -0.0132    0.0059   -0.0056    0.0033    0.0088    0.0069
            Z    -0.0021   -0.0018   -0.0097   -0.0044    0.0008   -0.0024
 AT.   9 SI X    -0.0016   -0.0082   -0.0041    0.0008    0.0013    0.0019
            Y    -0.0006   -0.0036    0.0054   -0.0029   -0.0019    0.0032
            Z    -0.0070   -0.0058    0.0113    0.0055   -0.0049    0.0024
 AT.  10 SI X    -0.0016   -0.0082    0.0041   -0.0008    0.0013   -0.0019
            Y    -0.0006   -0.0036   -0.0054    0.0029   -0.0019   -0.0032
            Z     0.0070    0.0058    0.0113    0.0055    0.0049    0.0024
 AT.  11 SI X     0.0016   -0.0082   -0.0041   -0.0008   -0.0013    0.0019
            Y    -0.0006    0.0036   -0.0054   -0.0029   -0.0019   -0.0032
            Z    -0.0070    0.0058   -0.0113    0.0055   -0.0049   -0.0024
 AT.  12 SI X     0.0016   -0.0082    0.0041    0.0008   -0.0013   -0.0019
            Y    -0.0006    0.0036    0.0054    0.0029   -0.0019    0.0032
            Z     0.0070   -0.0058   -0.0113    0.0055    0.0049   -0.0024
 AT.  13 SI X    -0.0016   -0.0082    0.0041   -0.0008   -0.0013   -0.0019
            Y    -0.0006   -0.0036   -0.0054    0.0029    0.0019   -0.0032
            Z    -0.0070   -0.0058   -0.0113   -0.0055    0.0049   -0.0024
 AT.  14 SI X    -0.0016   -0.0082   -0.0041    0.0008   -0.0013    0.0019
            Y    -0.0006   -0.0036    0.0054   -0.0029    0.0019    0.0032
            Z     0.0070    0.0058   -0.0113   -0.0055   -0.0049   -0.0024
 AT.  15 SI X     0.0016   -0.0082    0.0041    0.0008    0.0013   -0.0019
            Y    -0.0006    0.0036    0.0054    0.0029    0.0019    0.0032
            Z    -0.0070    0.0058    0.0113   -0.0055    0.0049    0.0024
 AT.  16 SI X     0.0016   -0.0082   -0.0041   -0.0008    0.0013    0.0019
            Y    -0.0006    0.0036   -0.0054   -0.0029    0.0019   -0.0032
            Z     0.0070   -0.0058    0.0113   -0.0055   -0.0049    0.0024
 AT.  17 SI X     0.0000    0.0139    0.0000   -0.0029    0.0000    0.0000
            Y    -0.0006    0.0000   -0.0068    0.0000    0.0037   -0.0014
            Z     0.0000   -0.0016    0.0000    0.0016    0.0000    0.0000
 AT.  18 SI X     0.0000    0.0139    0.0000    0.0029    0.0000    0.0000
            Y    -0.0006    0.0000    0.0068    0.0000    0.0037    0.0014
            Z     0.0000    0.0016    0.0000    0.0016    0.0000    0.0000
 AT.  19 SI X     0.0000    0.0139    0.0000    0.0029    0.0000    0.0000
            Y    -0.0006    0.0000    0.0068    0.0000   -0.0037    0.0014
            Z     0.0000   -0.0016    0.0000   -0.0016    0.0000    0.0000
 AT.  20 SI X     0.0000    0.0139    0.0000   -0.0029    0.0000    0.0000
            Y    -0.0006    0.0000   -0.0068    0.0000   -0.0037   -0.0014
            Z     0.0000    0.0016    0.0000   -0.0016    0.0000    0.0000
 AT.  21 CA X     0.0121    0.0000    0.0002   -0.0108   -0.0009   -0.0046
            Y    -0.0008    0.0054   -0.0067    0.0051   -0.0104    0.0098
            Z     0.0083   -0.0203   -0.0175    0.0124   -0.0111   -0.0026
 AT.  22 CA X     0.0121    0.0000   -0.0002    0.0108   -0.0009    0.0046
            Y    -0.0008    0.0054    0.0067   -0.0051   -0.0104   -0.0098
            Z    -0.0083    0.0203   -0.0175    0.0124    0.0111   -0.0026
 AT.  23 CA X    -0.0121    0.0000    0.0002    0.0108    0.0009   -0.0046
            Y    -0.0008   -0.0054    0.0067    0.0051   -0.0104   -0.0098
            Z     0.0083    0.0203    0.0175    0.0124   -0.0111    0.0026
 AT.  24 CA X    -0.0121    0.0000   -0.0002   -0.0108    0.0009    0.0046
            Y    -0.0008   -0.0054   -0.0067   -0.0051   -0.0104    0.0098
            Z    -0.0083   -0.0203    0.0175    0.0124    0.0111    0.0026
 AT.  25 CA X     0.0121    0.0000   -0.0002    0.0108    0.0009    0.0046
            Y    -0.0008    0.0054    0.0067   -0.0051    0.0104   -0.0098
            Z     0.0083   -0.0203    0.0175   -0.0124    0.0111    0.0026
 AT.  26 CA X     0.0121    0.0000    0.0002   -0.0108    0.0009   -0.0046
            Y    -0.0008    0.0054   -0.0067    0.0051    0.0104    0.0098
            Z    -0.0083    0.0203    0.0175   -0.0124   -0.0111    0.0026
 AT.  27 CA X    -0.0121    0.0000   -0.0002   -0.0108   -0.0009    0.0046
            Y    -0.0008   -0.0054   -0.0067   -0.0051    0.0104    0.0098
            Z     0.0083    0.0203   -0.0175   -0.0124    0.0111   -0.0026
 AT.  28 CA X    -0.0121    0.0000    0.0002    0.0108   -0.0009   -0.0046
            Y    -0.0008   -0.0054    0.0067    0.0051    0.0104   -0.0098
            Z    -0.0083   -0.0203   -0.0175   -0.0124   -0.0111   -0.0026
 AT.  29 CA X    -0.0008    0.0099    0.0000    0.0000    0.0000    0.0000
            Y     0.0291   -0.0047    0.0000    0.0000    0.0000    0.0000
            Z    -0.0125   -0.0022    0.0000    0.0000    0.0000    0.0000
 AT.  30 CA X    -0.0008    0.0099    0.0000    0.0000    0.0000    0.0000
            Y     0.0291   -0.0047    0.0000    0.0000    0.0000    0.0000
            Z     0.0125    0.0022    0.0000    0.0000    0.0000    0.0000
 AT.  31 CA X     0.0008    0.0099    0.0000    0.0000    0.0000    0.0000
            Y     0.0291    0.0047    0.0000    0.0000    0.0000    0.0000
            Z    -0.0125    0.0022    0.0000    0.0000    0.0000    0.0000
 AT.  32 CA X     0.0008    0.0099    0.0000    0.0000    0.0000    0.0000
            Y     0.0291    0.0047    0.0000    0.0000    0.0000    0.0000
            Z     0.0125   -0.0022    0.0000    0.0000    0.0000    0.0000
 AT.  33 CA X     0.0112   -0.0137    0.0019    0.0047    0.0037    0.0056
            Y     0.0126    0.0100   -0.0091   -0.0060    0.0113   -0.0033
            Z     0.0076    0.0078   -0.0029   -0.0100    0.0038    0.0096
 AT.  34 CA X     0.0112   -0.0137   -0.0019   -0.0047    0.0037   -0.0056
            Y     0.0126    0.0100    0.0091    0.0060    0.0113    0.0033
            Z    -0.0076   -0.0078   -0.0029   -0.0100   -0.0038    0.0096
 AT.  35 CA X    -0.0112   -0.0137    0.0019   -0.0047   -0.0037    0.0056
            Y     0.0126   -0.0100    0.0091   -0.0060    0.0113    0.0033
            Z     0.0076   -0.0078    0.0029   -0.0100    0.0038   -0.0096
 AT.  36 CA X    -0.0112   -0.0137   -0.0019    0.0047   -0.0037   -0.0056
            Y     0.0126   -0.0100   -0.0091    0.0060    0.0113   -0.0033
            Z    -0.0076    0.0078    0.0029   -0.0100   -0.0038   -0.0096
 AT.  37 CA X     0.0112   -0.0137   -0.0019   -0.0047   -0.0037   -0.0056
            Y     0.0126    0.0100    0.0091    0.0060   -0.0113    0.0033
            Z     0.0076    0.0078    0.0029    0.0100   -0.0038   -0.0096
 AT.  38 CA X     0.0112   -0.0137    0.0019    0.0047   -0.0037    0.0056
            Y     0.0126    0.0100   -0.0091   -0.0060   -0.0113   -0.0033
            Z    -0.0076   -0.0078    0.0029    0.0100    0.0038   -0.0096
 AT.  39 CA X    -0.0112   -0.0137   -0.0019    0.0047    0.0037   -0.0056
            Y     0.0126   -0.0100   -0.0091    0.0060   -0.0113   -0.0033
            Z     0.0076   -0.0078   -0.0029    0.0100   -0.0038    0.0096
 AT.  40 CA X    -0.0112   -0.0137    0.0019   -0.0047    0.0037    0.0056
            Y     0.0126   -0.0100    0.0091   -0.0060   -0.0113    0.0033
            Z    -0.0076    0.0078   -0.0029    0.0100    0.0038    0.0096
 AT.  41 CA X     0.0066    0.0111    0.0057    0.0027    0.0108    0.0174
            Y     0.0043   -0.0049    0.0025   -0.0003   -0.0199   -0.0086
            Z    -0.0063   -0.0069   -0.0047    0.0227   -0.0151   -0.0212
 AT.  42 CA X     0.0066    0.0111   -0.0057   -0.0027    0.0108   -0.0174
            Y     0.0043   -0.0049   -0.0025    0.0003   -0.0199    0.0086
            Z     0.0063    0.0069   -0.0047    0.0227    0.0151   -0.0212
 AT.  43 CA X    -0.0066    0.0111    0.0057   -0.0027   -0.0108    0.0174
            Y     0.0043    0.0049   -0.0025   -0.0003   -0.0199    0.0086
            Z    -0.0063    0.0069    0.0047    0.0227   -0.0151    0.0212
 AT.  44 CA X    -0.0066    0.0111   -0.0057    0.0027   -0.0108   -0.0174
            Y     0.0043    0.0049    0.0025    0.0003   -0.0199   -0.0086
            Z     0.0063   -0.0069    0.0047    0.0227    0.0151    0.0212
 AT.  45 CA X     0.0066    0.0111   -0.0057   -0.0027   -0.0108   -0.0174
            Y     0.0043   -0.0049   -0.0025    0.0003    0.0199    0.0086
            Z    -0.0063   -0.0069    0.0047   -0.0227    0.0151    0.0212
 AT.  46 CA X     0.0066    0.0111    0.0057    0.0027   -0.0108    0.0174
            Y     0.0043   -0.0049    0.0025   -0.0003    0.0199   -0.0086
            Z     0.0063    0.0069    0.0047   -0.0227   -0.0151    0.0212
 AT.  47 CA X    -0.0066    0.0111   -0.0057    0.0027    0.0108   -0.0174
            Y     0.0043    0.0049    0.0025    0.0003    0.0199   -0.0086
            Z    -0.0063    0.0069   -0.0047   -0.0227    0.0151   -0.0212
 AT.  48 CA X    -0.0066    0.0111    0.0057   -0.0027    0.0108    0.0174
            Y     0.0043    0.0049   -0.0025   -0.0003    0.0199    0.0086
            Z     0.0063   -0.0069   -0.0047   -0.0227   -0.0151   -0.0212
 AT.  49 CA X     0.0000   -0.0010    0.0000   -0.0005    0.0000    0.0000
            Y    -0.0038    0.0000   -0.0116    0.0000    0.0057    0.0071
            Z     0.0000    0.0017    0.0000   -0.0086    0.0000    0.0000
 AT.  50 CA X     0.0000   -0.0010    0.0000    0.0005    0.0000    0.0000
            Y    -0.0038    0.0000    0.0116    0.0000    0.0057   -0.0071
            Z     0.0000   -0.0017    0.0000   -0.0086    0.0000    0.0000
 AT.  51 CA X     0.0000   -0.0010    0.0000    0.0005    0.0000    0.0000
            Y    -0.0038    0.0000    0.0116    0.0000   -0.0057   -0.0071
            Z     0.0000    0.0017    0.0000    0.0086    0.0000    0.0000
 AT.  52 CA X     0.0000   -0.0010    0.0000   -0.0005    0.0000    0.0000
            Y    -0.0038    0.0000   -0.0116    0.0000   -0.0057    0.0071
            Z     0.0000   -0.0017    0.0000    0.0086    0.0000    0.0000
 AT.  53 O  X    -0.0055   -0.0063    0.0082   -0.0024   -0.0047   -0.0109
            Y    -0.0094   -0.0020    0.0031    0.0033   -0.0065   -0.0047
            Z     0.0004    0.0039   -0.0138    0.0087    0.0110    0.0015
 AT.  54 O  X    -0.0055   -0.0063   -0.0082    0.0024   -0.0047    0.0109
            Y    -0.0094   -0.0020   -0.0031   -0.0033   -0.0065    0.0047
            Z    -0.0004   -0.0039   -0.0138    0.0087   -0.0110    0.0015
 AT.  55 O  X     0.0055   -0.0063    0.0082    0.0024    0.0047   -0.0109
            Y    -0.0094    0.0020   -0.0031    0.0033   -0.0065    0.0047
            Z     0.0004   -0.0039    0.0138    0.0087    0.0110   -0.0015
 AT.  56 O  X     0.0055   -0.0063   -0.0082   -0.0024    0.0047    0.0109
            Y    -0.0094    0.0020    0.0031   -0.0033   -0.0065   -0.0047
            Z    -0.0004    0.0039    0.0138    0.0087   -0.0110   -0.0015
 AT.  57 O  X    -0.0055   -0.0063   -0.0082    0.0024    0.0047    0.0109
            Y    -0.0094   -0.0020   -0.0031   -0.0033    0.0065    0.0047
            Z     0.0004    0.0039    0.0138   -0.0087   -0.0110   -0.0015
 AT.  58 O  X    -0.0055   -0.0063    0.0082   -0.0024    0.0047   -0.0109
            Y    -0.0094   -0.0020    0.0031    0.0033    0.0065   -0.0047
            Z    -0.0004   -0.0039    0.0138   -0.0087    0.0110   -0.0015
 AT.  59 O  X     0.0055   -0.0063   -0.0082   -0.0024   -0.0047    0.0109
            Y    -0.0094    0.0020    0.0031   -0.0033    0.0065   -0.0047
            Z     0.0004   -0.0039   -0.0138   -0.0087   -0.0110    0.0015
 AT.  60 O  X     0.0055   -0.0063    0.0082    0.0024   -0.0047   -0.0109
            Y    -0.0094    0.0020   -0.0031    0.0033    0.0065    0.0047
            Z    -0.0004    0.0039   -0.0138   -0.0087    0.0110    0.0015
 AT.  61 O  X     0.0016   -0.0003    0.0061    0.0068   -0.0069   -0.0084
            Y    -0.0079    0.0017   -0.0001    0.0061    0.0050   -0.0021
            Z     0.0009   -0.0049   -0.0053    0.0038   -0.0078   -0.0062
 AT.  62 O  X     0.0016   -0.0003   -0.0061   -0.0068   -0.0069    0.0084
            Y    -0.0079    0.0017    0.0001   -0.0061    0.0050    0.0021
            Z    -0.0009    0.0049   -0.0053    0.0038    0.0078   -0.0062
 AT.  63 O  X    -0.0016   -0.0003    0.0061   -0.0068    0.0069   -0.0084
            Y    -0.0079   -0.0017    0.0001    0.0061    0.0050    0.0021
            Z     0.0009    0.0049    0.0053    0.0038   -0.0078    0.0062
 AT.  64 O  X    -0.0016   -0.0003   -0.0061    0.0068    0.0069    0.0084
            Y    -0.0079   -0.0017   -0.0001   -0.0061    0.0050   -0.0021
            Z    -0.0009   -0.0049    0.0053    0.0038    0.0078    0.0062
 AT.  65 O  X     0.0016   -0.0003   -0.0061   -0.0068    0.0069    0.0084
            Y    -0.0079    0.0017    0.0001   -0.0061   -0.0050    0.0021
            Z     0.0009   -0.0049    0.0053   -0.0038    0.0078    0.0062
 AT.  66 O  X     0.0016   -0.0003    0.0061    0.0068    0.0069   -0.0084
            Y    -0.0079    0.0017   -0.0001    0.0061   -0.0050   -0.0021
            Z    -0.0009    0.0049    0.0053   -0.0038   -0.0078    0.0062
 AT.  67 O  X    -0.0016   -0.0003   -0.0061    0.0068   -0.0069    0.0084
            Y    -0.0079   -0.0017   -0.0001   -0.0061   -0.0050   -0.0021
            Z     0.0009    0.0049   -0.0053   -0.0038    0.0078   -0.0062
 AT.  68 O  X    -0.0016   -0.0003    0.0061   -0.0068   -0.0069   -0.0084
            Y    -0.0079   -0.0017    0.0001    0.0061   -0.0050    0.0021
            Z    -0.0009   -0.0049   -0.0053   -0.0038   -0.0078   -0.0062
 AT.  69 O  X     0.0035    0.0115   -0.0112    0.0063    0.0015   -0.0019
            Y    -0.0105   -0.0081    0.0088   -0.0053   -0.0166   -0.0103
            Z     0.0016   -0.0075   -0.0025   -0.0023   -0.0041   -0.0062
 AT.  70 O  X     0.0035    0.0115    0.0112   -0.0063    0.0015    0.0019
            Y    -0.0105   -0.0081   -0.0088    0.0053   -0.0166    0.0103
            Z    -0.0016    0.0075   -0.0025   -0.0023    0.0041   -0.0062
 AT.  71 O  X    -0.0035    0.0115   -0.0112   -0.0063   -0.0015   -0.0019
            Y    -0.0105    0.0081   -0.0088   -0.0053   -0.0166    0.0103
            Z     0.0016    0.0075    0.0025   -0.0023   -0.0041    0.0062
 AT.  72 O  X    -0.0035    0.0115    0.0112    0.0063   -0.0015    0.0019
            Y    -0.0105    0.0081    0.0088    0.0053   -0.0166   -0.0103
            Z    -0.0016   -0.0075    0.0025   -0.0023    0.0041    0.0062
 AT.  73 O  X     0.0035    0.0115    0.0112   -0.0063   -0.0015    0.0019
            Y    -0.0105   -0.0081   -0.0088    0.0053    0.0166    0.0103
            Z     0.0016   -0.0075    0.0025    0.0023    0.0041    0.0062
 AT.  74 O  X     0.0035    0.0115   -0.0112    0.0063   -0.0015   -0.0019
            Y    -0.0105   -0.0081    0.0088   -0.0053    0.0166   -0.0103
            Z    -0.0016    0.0075    0.0025    0.0023   -0.0041    0.0062
 AT.  75 O  X    -0.0035    0.0115    0.0112    0.0063    0.0015    0.0019
            Y    -0.0105    0.0081    0.0088    0.0053    0.0166   -0.0103
            Z     0.0016    0.0075   -0.0025    0.0023    0.0041   -0.0062
 AT.  76 O  X    -0.0035    0.0115   -0.0112   -0.0063    0.0015   -0.0019
            Y    -0.0105    0.0081   -0.0088   -0.0053    0.0166    0.0103
            Z    -0.0016   -0.0075   -0.0025    0.0023   -0.0041   -0.0062
 AT.  77 O  X    -0.0005    0.0008    0.0020    0.0026   -0.0033   -0.0072
            Y    -0.0114   -0.0107    0.0125   -0.0082   -0.0016   -0.0048
            Z     0.0042    0.0108   -0.0176   -0.0010    0.0129    0.0056
 AT.  78 O  X    -0.0005    0.0008   -0.0020   -0.0026   -0.0033    0.0072
            Y    -0.0114   -0.0107   -0.0125    0.0082   -0.0016    0.0048
            Z    -0.0042   -0.0108   -0.0176   -0.0010   -0.0129    0.0056
 AT.  79 O  X     0.0005    0.0008    0.0020   -0.0026    0.0033   -0.0072
            Y    -0.0114    0.0107   -0.0125   -0.0082   -0.0016    0.0048
            Z     0.0042   -0.0108    0.0176   -0.0010    0.0129   -0.0056
 AT.  80 O  X     0.0005    0.0008   -0.0020    0.0026    0.0033    0.0072
            Y    -0.0114    0.0107    0.0125    0.0082   -0.0016   -0.0048
            Z    -0.0042    0.0108    0.0176   -0.0010   -0.0129   -0.0056
 AT.  81 O  X    -0.0005    0.0008   -0.0020   -0.0026    0.0033    0.0072
            Y    -0.0114   -0.0107   -0.0125    0.0082    0.0016    0.0048
            Z     0.0042    0.0108    0.0176    0.0010   -0.0129   -0.0056
 AT.  82 O  X    -0.0005    0.0008    0.0020    0.0026    0.0033   -0.0072
            Y    -0.0114   -0.0107    0.0125   -0.0082    0.0016   -0.0048
            Z    -0.0042   -0.0108    0.0176    0.0010    0.0129   -0.0056
 AT.  83 O  X     0.0005    0.0008   -0.0020    0.0026   -0.0033    0.0072
            Y    -0.0114    0.0107    0.0125    0.0082    0.0016   -0.0048
            Z     0.0042   -0.0108   -0.0176    0.0010   -0.0129    0.0056
 AT.  84 O  X     0.0005    0.0008    0.0020   -0.0026   -0.0033   -0.0072
            Y    -0.0114    0.0107   -0.0125   -0.0082    0.0016    0.0048
            Z    -0.0042    0.0108   -0.0176    0.0010    0.0129    0.0056
 AT.  85 O  X     0.0000   -0.0095   -0.0136   -0.0032   -0.0025   -0.0001
            Y    -0.0075    0.0041    0.0102   -0.0201   -0.0070    0.0135
            Z    -0.0013   -0.0087    0.0020    0.0122   -0.0012   -0.0058
 AT.  86 O  X     0.0000   -0.0095    0.0136    0.0032   -0.0025    0.0001
            Y    -0.0075    0.0041   -0.0102    0.0201   -0.0070   -0.0135
            Z     0.0013    0.0087    0.0020    0.0122    0.0012   -0.0058
 AT.  87 O  X     0.0000   -0.0095   -0.0136    0.0032    0.0025   -0.0001
            Y    -0.0075   -0.0041   -0.0102   -0.0201   -0.0070   -0.0135
            Z    -0.0013    0.0087   -0.0020    0.0122   -0.0012    0.0058
 AT.  88 O  X     0.0000   -0.0095    0.0136   -0.0032    0.0025    0.0001
            Y    -0.0075   -0.0041    0.0102    0.0201   -0.0070    0.0135
            Z     0.0013   -0.0087   -0.0020    0.0122    0.0012    0.0058
 AT.  89 O  X     0.0000   -0.0095    0.0136    0.0032    0.0025    0.0001
            Y    -0.0075    0.0041   -0.0102    0.0201    0.0070   -0.0135
            Z    -0.0013   -0.0087   -0.0020   -0.0122    0.0012    0.0058
 AT.  90 O  X     0.0000   -0.0095   -0.0136   -0.0032    0.0025   -0.0001
            Y    -0.0075    0.0041    0.0102   -0.0201    0.0070    0.0135
            Z     0.0013    0.0087   -0.0020   -0.0122   -0.0012    0.0058
 AT.  91 O  X     0.0000   -0.0095    0.0136   -0.0032   -0.0025    0.0001
            Y    -0.0075   -0.0041    0.0102    0.0201    0.0070    0.0135
            Z    -0.0013    0.0087    0.0020   -0.0122    0.0012   -0.0058
 AT.  92 O  X     0.0000   -0.0095   -0.0136    0.0032   -0.0025   -0.0001
            Y    -0.0075   -0.0041   -0.0102   -0.0201    0.0070   -0.0135
            Z     0.0013   -0.0087    0.0020   -0.0122   -0.0012   -0.0058
 AT.  93 O  X    -0.0020   -0.0118    0.0019    0.0046    0.0033    0.0097
            Y    -0.0001   -0.0016    0.0029   -0.0030   -0.0021   -0.0006
            Z    -0.0117    0.0007    0.0091   -0.0122   -0.0081    0.0126
 AT.  94 O  X    -0.0020   -0.0118   -0.0019   -0.0046    0.0033   -0.0097
            Y    -0.0001   -0.0016   -0.0029    0.0030   -0.0021    0.0006
            Z     0.0117   -0.0007    0.0091   -0.0122    0.0081    0.0126
 AT.  95 O  X     0.0020   -0.0118    0.0019   -0.0046   -0.0033    0.0097
            Y    -0.0001    0.0016   -0.0029   -0.0030   -0.0021    0.0006
            Z    -0.0117   -0.0007   -0.0091   -0.0122   -0.0081   -0.0126
 AT.  96 O  X     0.0020   -0.0118   -0.0019    0.0046   -0.0033   -0.0097
            Y    -0.0001    0.0016    0.0029    0.0030   -0.0021   -0.0006
            Z     0.0117    0.0007   -0.0091   -0.0122    0.0081   -0.0126
 AT.  97 O  X    -0.0020   -0.0118   -0.0019   -0.0046   -0.0033   -0.0097
            Y    -0.0001   -0.0016   -0.0029    0.0030    0.0021    0.0006
            Z    -0.0117    0.0007   -0.0091    0.0122    0.0081   -0.0126
 AT.  98 O  X    -0.0020   -0.0118    0.0019    0.0046   -0.0033    0.0097
            Y    -0.0001   -0.0016    0.0029   -0.0030    0.0021   -0.0006
            Z     0.0117   -0.0007   -0.0091    0.0122   -0.0081   -0.0126
 AT.  99 O  X     0.0020   -0.0118   -0.0019    0.0046    0.0033   -0.0097
            Y    -0.0001    0.0016    0.0029    0.0030    0.0021   -0.0006
            Z    -0.0117   -0.0007    0.0091    0.0122    0.0081    0.0126
 AT. 100 O  X     0.0020   -0.0118    0.0019   -0.0046    0.0033    0.0097
            Y    -0.0001    0.0016   -0.0029   -0.0030    0.0021    0.0006
            Z     0.0117    0.0007    0.0091    0.0122   -0.0081    0.0126
 AT. 101 O  X    -0.0054    0.0062    0.0022   -0.0036   -0.0009   -0.0020
            Y     0.0015   -0.0014   -0.0018    0.0128    0.0057   -0.0052
            Z    -0.0044   -0.0088    0.0046    0.0155    0.0006   -0.0064
 AT. 102 O  X    -0.0054    0.0062   -0.0022    0.0036   -0.0009    0.0020
            Y     0.0015   -0.0014    0.0018   -0.0128    0.0057    0.0052
            Z     0.0044    0.0088    0.0046    0.0155   -0.0006   -0.0064
 AT. 103 O  X     0.0054    0.0062    0.0022    0.0036    0.0009   -0.0020
            Y     0.0015    0.0014    0.0018    0.0128    0.0057    0.0052
            Z    -0.0044    0.0088   -0.0046    0.0155    0.0006    0.0064
 AT. 104 O  X     0.0054    0.0062   -0.0022   -0.0036    0.0009    0.0020
            Y     0.0015    0.0014   -0.0018   -0.0128    0.0057   -0.0052
            Z     0.0044   -0.0088   -0.0046    0.0155   -0.0006    0.0064
 AT. 105 O  X    -0.0054    0.0062   -0.0022    0.0036    0.0009    0.0020
            Y     0.0015   -0.0014    0.0018   -0.0128   -0.0057    0.0052
            Z    -0.0044   -0.0088   -0.0046   -0.0155   -0.0006    0.0064
 AT. 106 O  X    -0.0054    0.0062    0.0022   -0.0036    0.0009   -0.0020
            Y     0.0015   -0.0014   -0.0018    0.0128   -0.0057   -0.0052
            Z     0.0044    0.0088   -0.0046   -0.0155    0.0006    0.0064
 AT. 107 O  X     0.0054    0.0062   -0.0022   -0.0036   -0.0009    0.0020
            Y     0.0015    0.0014   -0.0018   -0.0128   -0.0057   -0.0052
            Z    -0.0044    0.0088    0.0046   -0.0155   -0.0006   -0.0064
 AT. 108 O  X     0.0054    0.0062    0.0022    0.0036   -0.0009   -0.0020
            Y     0.0015    0.0014    0.0018    0.0128   -0.0057    0.0052
            Z     0.0044   -0.0088    0.0046   -0.0155    0.0006   -0.0064
 AT. 109 O  X    -0.0014   -0.0079   -0.0049    0.0000    0.0014    0.0023
            Y    -0.0017   -0.0018    0.0093    0.0014    0.0098    0.0048
            Z    -0.0051    0.0048    0.0166   -0.0010    0.0057   -0.0028
 AT. 110 O  X    -0.0014   -0.0079    0.0049    0.0000    0.0014   -0.0023
            Y    -0.0017   -0.0018   -0.0093   -0.0014    0.0098   -0.0048
            Z     0.0051   -0.0048    0.0166   -0.0010   -0.0057   -0.0028
 AT. 111 O  X     0.0014   -0.0079   -0.0049    0.0000   -0.0014    0.0023
            Y    -0.0017    0.0018   -0.0093    0.0014    0.0098   -0.0048
            Z    -0.0051   -0.0048   -0.0166   -0.0010    0.0057    0.0028
 AT. 112 O  X     0.0014   -0.0079    0.0049    0.0000   -0.0014   -0.0023
            Y    -0.0017    0.0018    0.0093   -0.0014    0.0098    0.0048
            Z     0.0051    0.0048   -0.0166   -0.0010   -0.0057    0.0028
 AT. 113 O  X    -0.0014   -0.0079    0.0049    0.0000   -0.0014   -0.0023
            Y    -0.0017   -0.0018   -0.0093   -0.0014   -0.0098   -0.0048
            Z    -0.0051    0.0048   -0.0166    0.0010   -0.0057    0.0028
 AT. 114 O  X    -0.0014   -0.0079   -0.0049    0.0000   -0.0014    0.0023
            Y    -0.0017   -0.0018    0.0093    0.0014   -0.0098    0.0048
            Z     0.0051   -0.0048   -0.0166    0.0010    0.0057    0.0028
 AT. 115 O  X     0.0014   -0.0079    0.0049    0.0000    0.0014   -0.0023
            Y    -0.0017    0.0018    0.0093   -0.0014   -0.0098    0.0048
            Z    -0.0051   -0.0048    0.0166    0.0010   -0.0057   -0.0028
 AT. 116 O  X     0.0014   -0.0079   -0.0049    0.0000    0.0014    0.0023
            Y    -0.0017    0.0018   -0.0093    0.0014   -0.0098   -0.0048
            Z     0.0051    0.0048    0.0166    0.0010    0.0057   -0.0028
 AT. 117 O  X    -0.0127    0.0130    0.0128   -0.0019   -0.0047   -0.0118
            Y    -0.0004   -0.0027   -0.0004    0.0078    0.0022    0.0064
            Z     0.0108    0.0016   -0.0181   -0.0067    0.0082    0.0024
 AT. 118 O  X    -0.0127    0.0130   -0.0128    0.0019   -0.0047    0.0118
            Y    -0.0004   -0.0027    0.0004   -0.0078    0.0022   -0.0064
            Z    -0.0108   -0.0016   -0.0181   -0.0067   -0.0082    0.0024
 AT. 119 O  X     0.0127    0.0130    0.0128    0.0019    0.0047   -0.0118
            Y    -0.0004    0.0027    0.0004    0.0078    0.0022   -0.0064
            Z     0.0108   -0.0016    0.0181   -0.0067    0.0082   -0.0024
 AT. 120 O  X     0.0127    0.0130   -0.0128   -0.0019    0.0047    0.0118
            Y    -0.0004    0.0027   -0.0004   -0.0078    0.0022    0.0064
            Z    -0.0108    0.0016    0.0181   -0.0067   -0.0082   -0.0024
 AT. 121 O  X    -0.0127    0.0130   -0.0128    0.0019    0.0047    0.0118
            Y    -0.0004   -0.0027    0.0004   -0.0078   -0.0022   -0.0064
            Z     0.0108    0.0016    0.0181    0.0067   -0.0082   -0.0024
 AT. 122 O  X    -0.0127    0.0130    0.0128   -0.0019    0.0047   -0.0118
            Y    -0.0004   -0.0027   -0.0004    0.0078   -0.0022    0.0064
            Z    -0.0108   -0.0016    0.0181    0.0067    0.0082   -0.0024
 AT. 123 O  X     0.0127    0.0130   -0.0128   -0.0019   -0.0047    0.0118
            Y    -0.0004    0.0027   -0.0004   -0.0078   -0.0022    0.0064
            Z     0.0108   -0.0016   -0.0181    0.0067   -0.0082    0.0024
 AT. 124 O  X     0.0127    0.0130    0.0128    0.0019   -0.0047   -0.0118
            Y    -0.0004    0.0027    0.0004    0.0078   -0.0022   -0.0064
            Z    -0.0108    0.0016   -0.0181    0.0067    0.0082    0.0024

 FREQ(CM**-1)    222.47    222.93    224.71    227.14    227.30    228.92

 AT.   1 SI X     0.0013   -0.0031   -0.0041   -0.0037    0.0012   -0.0001
            Y     0.0041   -0.0031   -0.0015    0.0116    0.0022   -0.0035
            Z     0.0025    0.0025   -0.0100    0.0030    0.0079    0.0036
 AT.   2 SI X     0.0013    0.0031   -0.0041    0.0037   -0.0012    0.0001
            Y     0.0041    0.0031   -0.0015   -0.0116   -0.0022    0.0035
            Z    -0.0025    0.0025    0.0100    0.0030    0.0079    0.0036
 AT.   3 SI X     0.0013    0.0031   -0.0041    0.0037    0.0012    0.0001
            Y    -0.0041   -0.0031    0.0015    0.0116   -0.0022   -0.0035
            Z    -0.0025    0.0025    0.0100    0.0030   -0.0079    0.0036
 AT.   4 SI X     0.0013   -0.0031   -0.0041   -0.0037   -0.0012   -0.0001
            Y    -0.0041    0.0031    0.0015   -0.0116    0.0022    0.0035
            Z     0.0025    0.0025   -0.0100    0.0030   -0.0079    0.0036
 AT.   5 SI X     0.0013   -0.0031    0.0041    0.0037    0.0012   -0.0001
            Y     0.0041   -0.0031    0.0015   -0.0116    0.0022   -0.0035
            Z     0.0025    0.0025    0.0100   -0.0030    0.0079    0.0036
 AT.   6 SI X     0.0013    0.0031    0.0041   -0.0037   -0.0012    0.0001
            Y     0.0041    0.0031    0.0015    0.0116   -0.0022    0.0035
            Z    -0.0025    0.0025   -0.0100   -0.0030    0.0079    0.0036
 AT.   7 SI X     0.0013    0.0031    0.0041   -0.0037    0.0012    0.0001
            Y    -0.0041   -0.0031   -0.0015   -0.0116   -0.0022   -0.0035
            Z    -0.0025    0.0025   -0.0100   -0.0030   -0.0079    0.0036
 AT.   8 SI X     0.0013   -0.0031    0.0041    0.0037   -0.0012   -0.0001
            Y    -0.0041    0.0031   -0.0015    0.0116    0.0022    0.0035
            Z     0.0025    0.0025    0.0100   -0.0030   -0.0079    0.0036
 AT.   9 SI X     0.0040   -0.0057    0.0040   -0.0008    0.0052    0.0003
            Y     0.0039    0.0029   -0.0021   -0.0024    0.0141   -0.0009
            Z    -0.0006   -0.0043    0.0123    0.0067   -0.0046   -0.0082
 AT.  10 SI X     0.0040    0.0057    0.0040    0.0008   -0.0052   -0.0003
            Y     0.0039   -0.0029   -0.0021    0.0024   -0.0141    0.0009
            Z     0.0006   -0.0043   -0.0123    0.0067   -0.0046   -0.0082
 AT.  11 SI X     0.0040    0.0057    0.0040    0.0008    0.0052   -0.0003
            Y    -0.0039    0.0029    0.0021   -0.0024   -0.0141   -0.0009
            Z     0.0006   -0.0043   -0.0123    0.0067    0.0046   -0.0082
 AT.  12 SI X     0.0040   -0.0057    0.0040   -0.0008   -0.0052    0.0003
            Y    -0.0039   -0.0029    0.0021    0.0024    0.0141    0.0009
            Z    -0.0006   -0.0043    0.0123    0.0067    0.0046   -0.0082
 AT.  13 SI X     0.0040   -0.0057   -0.0040    0.0008    0.0052    0.0003
            Y     0.0039    0.0029    0.0021    0.0024    0.0141   -0.0009
            Z    -0.0006   -0.0043   -0.0123   -0.0067   -0.0046   -0.0082
 AT.  14 SI X     0.0040    0.0057   -0.0040   -0.0008   -0.0052   -0.0003
            Y     0.0039   -0.0029    0.0021   -0.0024   -0.0141    0.0009
            Z     0.0006   -0.0043    0.0123   -0.0067   -0.0046   -0.0082
 AT.  15 SI X     0.0040    0.0057   -0.0040   -0.0008    0.0052   -0.0003
            Y    -0.0039    0.0029   -0.0021    0.0024   -0.0141   -0.0009
            Z     0.0006   -0.0043    0.0123   -0.0067    0.0046   -0.0082
 AT.  16 SI X     0.0040   -0.0057   -0.0040    0.0008   -0.0052    0.0003
            Y    -0.0039   -0.0029   -0.0021   -0.0024    0.0141    0.0009
            Z    -0.0006   -0.0043   -0.0123   -0.0067    0.0046   -0.0082
 AT.  17 SI X    -0.0030    0.0051    0.0026    0.0048    0.0000   -0.0059
            Y     0.0000    0.0000    0.0000    0.0000    0.0061    0.0000
            Z    -0.0007   -0.0105    0.0080    0.0008    0.0000    0.0081
 AT.  18 SI X    -0.0030   -0.0051    0.0026   -0.0048    0.0000    0.0059
            Y     0.0000    0.0000    0.0000    0.0000   -0.0061    0.0000
            Z     0.0007   -0.0105   -0.0080    0.0008    0.0000    0.0081
 AT.  19 SI X    -0.0030    0.0051   -0.0026   -0.0048    0.0000   -0.0059
            Y     0.0000    0.0000    0.0000    0.0000    0.0061    0.0000
            Z    -0.0007   -0.0105   -0.0080   -0.0008    0.0000    0.0081
 AT.  20 SI X    -0.0030   -0.0051   -0.0026    0.0048    0.0000    0.0059
            Y     0.0000    0.0000    0.0000    0.0000   -0.0061    0.0000
            Z     0.0007   -0.0105    0.0080   -0.0008    0.0000    0.0081
 AT.  21 CA X    -0.0007    0.0140   -0.0072    0.0093   -0.0016    0.0072
            Y    -0.0001   -0.0066    0.0035    0.0004    0.0065   -0.0120
            Z     0.0056   -0.0114   -0.0215    0.0144    0.0043   -0.0066
 AT.  22 CA X    -0.0007   -0.0140   -0.0072   -0.0093    0.0016   -0.0072
            Y    -0.0001    0.0066    0.0035   -0.0004   -0.0065    0.0120
            Z    -0.0056   -0.0114    0.0215    0.0144    0.0043   -0.0066
 AT.  23 CA X    -0.0007   -0.0140   -0.0072   -0.0093   -0.0016   -0.0072
            Y     0.0001   -0.0066   -0.0035    0.0004   -0.0065   -0.0120
            Z    -0.0056   -0.0114    0.0215    0.0144   -0.0043   -0.0066
 AT.  24 CA X    -0.0007    0.0140   -0.0072    0.0093    0.0016    0.0072
            Y     0.0001    0.0066   -0.0035   -0.0004    0.0065    0.0120
            Z     0.0056   -0.0114   -0.0215    0.0144   -0.0043   -0.0066
 AT.  25 CA X    -0.0007    0.0140    0.0072   -0.0093   -0.0016    0.0072
            Y    -0.0001   -0.0066   -0.0035   -0.0004    0.0065   -0.0120
            Z     0.0056   -0.0114    0.0215   -0.0144    0.0043   -0.0066
 AT.  26 CA X    -0.0007   -0.0140    0.0072    0.0093    0.0016   -0.0072
            Y    -0.0001    0.0066   -0.0035    0.0004   -0.0065    0.0120
            Z    -0.0056   -0.0114   -0.0215   -0.0144    0.0043   -0.0066
 AT.  27 CA X    -0.0007   -0.0140    0.0072    0.0093   -0.0016   -0.0072
            Y     0.0001   -0.0066    0.0035   -0.0004   -0.0065   -0.0120
            Z    -0.0056   -0.0114   -0.0215   -0.0144   -0.0043   -0.0066
 AT.  28 CA X    -0.0007    0.0140    0.0072   -0.0093    0.0016    0.0072
            Y     0.0001    0.0066    0.0035    0.0004    0.0065    0.0120
            Z     0.0056   -0.0114    0.0215   -0.0144   -0.0043   -0.0066
 AT.  29 CA X     0.0097    0.0066    0.0000    0.0000   -0.0047   -0.0173
            Y    -0.0004    0.0102    0.0000    0.0000   -0.0048    0.0217
            Z     0.0046   -0.0054    0.0000    0.0000    0.0149    0.0076
 AT.  30 CA X     0.0097   -0.0066    0.0000    0.0000    0.0047    0.0173
            Y    -0.0004   -0.0102    0.0000    0.0000    0.0048   -0.0217
            Z    -0.0046   -0.0054    0.0000    0.0000    0.0149    0.0076
 AT.  31 CA X     0.0097   -0.0066    0.0000    0.0000   -0.0047    0.0173
            Y     0.0004    0.0102    0.0000    0.0000    0.0048    0.0217
            Z    -0.0046   -0.0054    0.0000    0.0000   -0.0149    0.0076
 AT.  32 CA X     0.0097    0.0066    0.0000    0.0000    0.0047   -0.0173
            Y     0.0004   -0.0102    0.0000    0.0000   -0.0048   -0.0217
            Z     0.0046   -0.0054    0.0000    0.0000   -0.0149    0.0076
 AT.  33 CA X    -0.0091   -0.0062    0.0042   -0.0125    0.0003    0.0097
            Y    -0.0071    0.0014   -0.0001   -0.0072   -0.0146    0.0026
            Z    -0.0018    0.0069    0.0061   -0.0007   -0.0077   -0.0012
 AT.  34 CA X    -0.0091    0.0062    0.0042    0.0125   -0.0003   -0.0097
            Y    -0.0071   -0.0014   -0.0001    0.0072    0.0146   -0.0026
            Z     0.0018    0.0069   -0.0061   -0.0007   -0.0077   -0.0012
 AT.  35 CA X    -0.0091    0.0062    0.0042    0.0125    0.0003   -0.0097
            Y     0.0071    0.0014    0.0001   -0.0072    0.0146    0.0026
            Z     0.0018    0.0069   -0.0061   -0.0007    0.0077   -0.0012
 AT.  36 CA X    -0.0091   -0.0062    0.0042   -0.0125   -0.0003    0.0097
            Y     0.0071   -0.0014    0.0001    0.0072   -0.0146   -0.0026
            Z    -0.0018    0.0069    0.0061   -0.0007    0.0077   -0.0012
 AT.  37 CA X    -0.0091   -0.0062   -0.0042    0.0125    0.0003    0.0097
            Y    -0.0071    0.0014    0.0001    0.0072   -0.0146    0.0026
            Z    -0.0018    0.0069   -0.0061    0.0007   -0.0077   -0.0012
 AT.  38 CA X    -0.0091    0.0062   -0.0042   -0.0125   -0.0003   -0.0097
            Y    -0.0071   -0.0014    0.0001   -0.0072    0.0146   -0.0026
            Z     0.0018    0.0069    0.0061    0.0007   -0.0077   -0.0012
 AT.  39 CA X    -0.0091    0.0062   -0.0042   -0.0125    0.0003   -0.0097
            Y     0.0071    0.0014   -0.0001    0.0072    0.0146    0.0026
            Z     0.0018    0.0069    0.0061    0.0007    0.0077   -0.0012
 AT.  40 CA X    -0.0091   -0.0062   -0.0042    0.0125   -0.0003    0.0097
            Y     0.0071   -0.0014   -0.0001   -0.0072   -0.0146   -0.0026
            Z    -0.0018    0.0069   -0.0061    0.0007    0.0077   -0.0012
 AT.  41 CA X    -0.0061    0.0082   -0.0018    0.0017   -0.0073   -0.0052
            Y    -0.0023   -0.0046   -0.0046    0.0153   -0.0010    0.0159
            Z    -0.0198    0.0158   -0.0092    0.0068   -0.0003    0.0104
 AT.  42 CA X    -0.0061   -0.0082   -0.0018   -0.0017    0.0073    0.0052
            Y    -0.0023    0.0046   -0.0046   -0.0153    0.0010   -0.0159
            Z     0.0198    0.0158    0.0092    0.0068   -0.0003    0.0104
 AT.  43 CA X    -0.0061   -0.0082   -0.0018   -0.0017   -0.0073    0.0052
            Y     0.0023   -0.0046    0.0046    0.0153    0.0010    0.0159
            Z     0.0198    0.0158    0.0092    0.0068    0.0003    0.0104
 AT.  44 CA X    -0.0061    0.0082   -0.0018    0.0017    0.0073   -0.0052
            Y     0.0023    0.0046    0.0046   -0.0153   -0.0010   -0.0159
            Z    -0.0198    0.0158   -0.0092    0.0068    0.0003    0.0104
 AT.  45 CA X    -0.0061    0.0082    0.0018   -0.0017   -0.0073   -0.0052
            Y    -0.0023   -0.0046    0.0046   -0.0153   -0.0010    0.0159
            Z    -0.0198    0.0158    0.0092   -0.0068   -0.0003    0.0104
 AT.  46 CA X    -0.0061   -0.0082    0.0018    0.0017    0.0073    0.0052
            Y    -0.0023    0.0046    0.0046    0.0153    0.0010   -0.0159
            Z     0.0198    0.0158   -0.0092   -0.0068   -0.0003    0.0104
 AT.  47 CA X    -0.0061   -0.0082    0.0018    0.0017   -0.0073    0.0052
            Y     0.0023   -0.0046   -0.0046   -0.0153    0.0010    0.0159
            Z     0.0198    0.0158   -0.0092   -0.0068    0.0003    0.0104
 AT.  48 CA X    -0.0061    0.0082    0.0018   -0.0017    0.0073   -0.0052
            Y     0.0023    0.0046   -0.0046    0.0153   -0.0010   -0.0159
            Z    -0.0198    0.0158    0.0092   -0.0068    0.0003    0.0104
 AT.  49 CA X     0.0024    0.0058   -0.0119    0.0016    0.0000    0.0045
            Y     0.0000    0.0000    0.0000    0.0000    0.0078    0.0000
            Z     0.0101    0.0052   -0.0077    0.0051    0.0000   -0.0087
 AT.  50 CA X     0.0024   -0.0058   -0.0119   -0.0016    0.0000   -0.0045
            Y     0.0000    0.0000    0.0000    0.0000   -0.0078    0.0000
            Z    -0.0101    0.0052    0.0077    0.0051    0.0000   -0.0087
 AT.  51 CA X     0.0024    0.0058    0.0119   -0.0016    0.0000    0.0045
            Y     0.0000    0.0000    0.0000    0.0000    0.0078    0.0000
            Z     0.0101    0.0052    0.0077   -0.0051    0.0000   -0.0087
 AT.  52 CA X     0.0024   -0.0058    0.0119    0.0016    0.0000   -0.0045
            Y     0.0000    0.0000    0.0000    0.0000   -0.0078    0.0000
            Z    -0.0101    0.0052   -0.0077   -0.0051    0.0000   -0.0087
 AT.  53 O  X     0.0081   -0.0038   -0.0031    0.0033    0.0057    0.0030
            Y     0.0016   -0.0030   -0.0012    0.0066   -0.0004   -0.0038
            Z     0.0005   -0.0059   -0.0084   -0.0120   -0.0004   -0.0013
 AT.  54 O  X     0.0081    0.0038   -0.0031   -0.0033   -0.0057   -0.0030
            Y     0.0016    0.0030   -0.0012   -0.0066    0.0004    0.0038
            Z    -0.0005   -0.0059    0.0084   -0.0120   -0.0004   -0.0013
 AT.  55 O  X     0.0081    0.0038   -0.0031   -0.0033    0.0057   -0.0030
            Y    -0.0016   -0.0030    0.0012    0.0066    0.0004   -0.0038
            Z    -0.0005   -0.0059    0.0084   -0.0120    0.0004   -0.0013
 AT.  56 O  X     0.0081   -0.0038   -0.0031    0.0033   -0.0057    0.0030
            Y    -0.0016    0.0030    0.0012   -0.0066   -0.0004    0.0038
            Z     0.0005   -0.0059   -0.0084   -0.0120    0.0004   -0.0013
 AT.  57 O  X     0.0081   -0.0038    0.0031   -0.0033    0.0057    0.0030
            Y     0.0016   -0.0030    0.0012   -0.0066   -0.0004   -0.0038
            Z     0.0005   -0.0059    0.0084    0.0120   -0.0004   -0.0013
 AT.  58 O  X     0.0081    0.0038    0.0031    0.0033   -0.0057   -0.0030
            Y     0.0016    0.0030    0.0012    0.0066    0.0004    0.0038
            Z    -0.0005   -0.0059   -0.0084    0.0120   -0.0004   -0.0013
 AT.  59 O  X     0.0081    0.0038    0.0031    0.0033    0.0057   -0.0030
            Y    -0.0016   -0.0030   -0.0012   -0.0066    0.0004   -0.0038
            Z    -0.0005   -0.0059   -0.0084    0.0120    0.0004   -0.0013
 AT.  60 O  X     0.0081   -0.0038    0.0031   -0.0033   -0.0057    0.0030
            Y    -0.0016    0.0030   -0.0012    0.0066   -0.0004    0.0038
            Z     0.0005   -0.0059    0.0084    0.0120    0.0004   -0.0013
 AT.  61 O  X    -0.0100    0.0016   -0.0016   -0.0027   -0.0038    0.0023
            Y    -0.0017   -0.0073   -0.0019   -0.0059   -0.0086   -0.0037
            Z    -0.0013    0.0071   -0.0095    0.0128    0.0090    0.0045
 AT.  62 O  X    -0.0100   -0.0016   -0.0016    0.0027    0.0038   -0.0023
            Y    -0.0017    0.0073   -0.0019    0.0059    0.0086    0.0037
            Z     0.0013    0.0071    0.0095    0.0128    0.0090    0.0045
 AT.  63 O  X    -0.0100   -0.0016   -0.0016    0.0027   -0.0038   -0.0023
            Y     0.0017   -0.0073    0.0019   -0.0059    0.0086   -0.0037
            Z     0.0013    0.0071    0.0095    0.0128   -0.0090    0.0045
 AT.  64 O  X    -0.0100    0.0016   -0.0016   -0.0027    0.0038    0.0023
            Y     0.0017    0.0073    0.0019    0.0059   -0.0086    0.0037
            Z    -0.0013    0.0071   -0.0095    0.0128   -0.0090    0.0045
 AT.  65 O  X    -0.0100    0.0016    0.0016    0.0027   -0.0038    0.0023
            Y    -0.0017   -0.0073    0.0019    0.0059   -0.0086   -0.0037
            Z    -0.0013    0.0071    0.0095   -0.0128    0.0090    0.0045
 AT.  66 O  X    -0.0100   -0.0016    0.0016   -0.0027    0.0038   -0.0023
            Y    -0.0017    0.0073    0.0019   -0.0059    0.0086    0.0037
            Z     0.0013    0.0071   -0.0095   -0.0128    0.0090    0.0045
 AT.  67 O  X    -0.0100   -0.0016    0.0016   -0.0027   -0.0038   -0.0023
            Y     0.0017   -0.0073   -0.0019    0.0059    0.0086   -0.0037
            Z     0.0013    0.0071   -0.0095   -0.0128   -0.0090    0.0045
 AT.  68 O  X    -0.0100    0.0016    0.0016    0.0027    0.0038    0.0023
            Y     0.0017    0.0073   -0.0019   -0.0059   -0.0086    0.0037
            Z    -0.0013    0.0071    0.0095   -0.0128   -0.0090    0.0045
 AT.  69 O  X     0.0021    0.0018   -0.0132   -0.0069    0.0008    0.0007
            Y     0.0036    0.0009   -0.0004    0.0248    0.0062   -0.0027
            Z     0.0023   -0.0007   -0.0060    0.0091    0.0109    0.0026
 AT.  70 O  X     0.0021   -0.0018   -0.0132    0.0069   -0.0008   -0.0007
            Y     0.0036   -0.0009   -0.0004   -0.0248   -0.0062    0.0027
            Z    -0.0023   -0.0007    0.0060    0.0091    0.0109    0.0026
 AT.  71 O  X     0.0021   -0.0018   -0.0132    0.0069    0.0008   -0.0007
            Y    -0.0036    0.0009    0.0004    0.0248   -0.0062   -0.0027
            Z    -0.0023   -0.0007    0.0060    0.0091   -0.0109    0.0026
 AT.  72 O  X     0.0021    0.0018   -0.0132   -0.0069   -0.0008    0.0007
            Y    -0.0036   -0.0009    0.0004   -0.0248    0.0062    0.0027
            Z     0.0023   -0.0007   -0.0060    0.0091   -0.0109    0.0026
 AT.  73 O  X     0.0021    0.0018    0.0132    0.0069    0.0008    0.0007
            Y     0.0036    0.0009    0.0004   -0.0248    0.0062   -0.0027
            Z     0.0023   -0.0007    0.0060   -0.0091    0.0109    0.0026
 AT.  74 O  X     0.0021   -0.0018    0.0132   -0.0069   -0.0008   -0.0007
            Y     0.0036   -0.0009    0.0004    0.0248   -0.0062    0.0027
            Z    -0.0023   -0.0007   -0.0060   -0.0091    0.0109    0.0026
 AT.  75 O  X     0.0021   -0.0018    0.0132   -0.0069    0.0008   -0.0007
            Y    -0.0036    0.0009   -0.0004   -0.0248   -0.0062   -0.0027
            Z    -0.0023   -0.0007   -0.0060   -0.0091   -0.0109    0.0026
 AT.  76 O  X     0.0021    0.0018    0.0132    0.0069   -0.0008    0.0007
            Y    -0.0036   -0.0009   -0.0004    0.0248    0.0062    0.0027
            Z     0.0023   -0.0007    0.0060   -0.0091   -0.0109    0.0026
 AT.  77 O  X     0.0008   -0.0020   -0.0050   -0.0032    0.0008    0.0004
            Y     0.0134    0.0003    0.0026    0.0080    0.0028    0.0021
            Z     0.0062   -0.0035   -0.0170   -0.0060    0.0068   -0.0005
 AT.  78 O  X     0.0008    0.0020   -0.0050    0.0032   -0.0008   -0.0004
            Y     0.0134   -0.0003    0.0026   -0.0080   -0.0028   -0.0021
            Z    -0.0062   -0.0035    0.0170   -0.0060    0.0068   -0.0005
 AT.  79 O  X     0.0008    0.0020   -0.0050    0.0032    0.0008   -0.0004
            Y    -0.0134    0.0003   -0.0026    0.0080   -0.0028    0.0021
            Z    -0.0062   -0.0035    0.0170   -0.0060   -0.0068   -0.0005
 AT.  80 O  X     0.0008   -0.0020   -0.0050   -0.0032   -0.0008    0.0004
            Y    -0.0134   -0.0003   -0.0026   -0.0080    0.0028   -0.0021
            Z     0.0062   -0.0035   -0.0170   -0.0060   -0.0068   -0.0005
 AT.  81 O  X     0.0008   -0.0020    0.0050    0.0032    0.0008    0.0004
            Y     0.0134    0.0003   -0.0026   -0.0080    0.0028    0.0021
            Z     0.0062   -0.0035    0.0170    0.0060    0.0068   -0.0005
 AT.  82 O  X     0.0008    0.0020    0.0050   -0.0032   -0.0008   -0.0004
            Y     0.0134   -0.0003   -0.0026    0.0080   -0.0028   -0.0021
            Z    -0.0062   -0.0035   -0.0170    0.0060    0.0068   -0.0005
 AT.  83 O  X     0.0008    0.0020    0.0050   -0.0032    0.0008   -0.0004
            Y    -0.0134    0.0003    0.0026   -0.0080   -0.0028    0.0021
            Z    -0.0062   -0.0035   -0.0170    0.0060   -0.0068   -0.0005
 AT.  84 O  X     0.0008   -0.0020    0.0050    0.0032   -0.0008    0.0004
            Y    -0.0134   -0.0003    0.0026    0.0080    0.0028   -0.0021
            Z     0.0062   -0.0035    0.0170    0.0060   -0.0068   -0.0005
 AT.  85 O  X     0.0089   -0.0069   -0.0078    0.0027    0.0125    0.0031
            Y     0.0227    0.0181   -0.0025    0.0027    0.0211   -0.0098
            Z    -0.0097   -0.0125    0.0051    0.0032   -0.0065   -0.0007
 AT.  86 O  X     0.0089    0.0069   -0.0078   -0.0027   -0.0125   -0.0031
            Y     0.0227   -0.0181   -0.0025   -0.0027   -0.0211    0.0098
            Z     0.0097   -0.0125   -0.0051    0.0032   -0.0065   -0.0007
 AT.  87 O  X     0.0089    0.0069   -0.0078   -0.0027    0.0125   -0.0031
            Y    -0.0227    0.0181    0.0025    0.0027   -0.0211   -0.0098
            Z     0.0097   -0.0125   -0.0051    0.0032    0.0065   -0.0007
 AT.  88 O  X     0.0089   -0.0069   -0.0078    0.0027   -0.0125    0.0031
            Y    -0.0227   -0.0181    0.0025   -0.0027    0.0211    0.0098
            Z    -0.0097   -0.0125    0.0051    0.0032    0.0065   -0.0007
 AT.  89 O  X     0.0089   -0.0069    0.0078   -0.0027    0.0125    0.0031
            Y     0.0227    0.0181    0.0025   -0.0027    0.0211   -0.0098
            Z    -0.0097   -0.0125   -0.0051   -0.0032   -0.0065   -0.0007
 AT.  90 O  X     0.0089    0.0069    0.0078    0.0027   -0.0125   -0.0031
            Y     0.0227   -0.0181    0.0025    0.0027   -0.0211    0.0098
            Z     0.0097   -0.0125    0.0051   -0.0032   -0.0065   -0.0007
 AT.  91 O  X     0.0089    0.0069    0.0078    0.0027    0.0125   -0.0031
            Y    -0.0227    0.0181   -0.0025   -0.0027   -0.0211   -0.0098
            Z     0.0097   -0.0125    0.0051   -0.0032    0.0065   -0.0007
 AT.  92 O  X     0.0089   -0.0069    0.0078   -0.0027   -0.0125    0.0031
            Y    -0.0227   -0.0181   -0.0025    0.0027    0.0211    0.0098
            Z    -0.0097   -0.0125   -0.0051   -0.0032    0.0065   -0.0007
 AT.  93 O  X     0.0039   -0.0041    0.0106   -0.0058    0.0076   -0.0025
            Y     0.0008   -0.0002   -0.0031   -0.0006    0.0093    0.0012
            Z     0.0214    0.0151    0.0089    0.0108    0.0102   -0.0155
 AT.  94 O  X     0.0039    0.0041    0.0106    0.0058   -0.0076    0.0025
            Y     0.0008    0.0002   -0.0031    0.0006   -0.0093   -0.0012
            Z    -0.0214    0.0151   -0.0089    0.0108    0.0102   -0.0155
 AT.  95 O  X     0.0039    0.0041    0.0106    0.0058    0.0076    0.0025
            Y    -0.0008   -0.0002    0.0031   -0.0006   -0.0093    0.0012
            Z    -0.0214    0.0151   -0.0089    0.0108   -0.0102   -0.0155
 AT.  96 O  X     0.0039   -0.0041    0.0106   -0.0058   -0.0076   -0.0025
            Y    -0.0008    0.0002    0.0031    0.0006    0.0093   -0.0012
            Z     0.0214    0.0151    0.0089    0.0108   -0.0102   -0.0155
 AT.  97 O  X     0.0039   -0.0041   -0.0106    0.0058    0.0076   -0.0025
            Y     0.0008   -0.0002    0.0031    0.0006    0.0093    0.0012
            Z     0.0214    0.0151   -0.0089   -0.0108    0.0102   -0.0155
 AT.  98 O  X     0.0039    0.0041   -0.0106   -0.0058   -0.0076    0.0025
            Y     0.0008    0.0002    0.0031   -0.0006   -0.0093   -0.0012
            Z    -0.0214    0.0151    0.0089   -0.0108    0.0102   -0.0155
 AT.  99 O  X     0.0039    0.0041   -0.0106   -0.0058    0.0076    0.0025
            Y    -0.0008   -0.0002   -0.0031    0.0006   -0.0093    0.0012
            Z    -0.0214    0.0151    0.0089   -0.0108   -0.0102   -0.0155
 AT. 100 O  X     0.0039   -0.0041   -0.0106    0.0058   -0.0076   -0.0025
            Y    -0.0008    0.0002   -0.0031   -0.0006    0.0093   -0.0012
            Z     0.0214    0.0151   -0.0089   -0.0108   -0.0102   -0.0155
 AT. 101 O  X     0.0037    0.0061    0.0083    0.0076   -0.0043   -0.0119
            Y    -0.0187   -0.0108   -0.0006   -0.0054    0.0035    0.0033
            Z    -0.0155   -0.0180    0.0097   -0.0001   -0.0078    0.0023
 AT. 102 O  X     0.0037   -0.0061    0.0083   -0.0076    0.0043    0.0119
            Y    -0.0187    0.0108   -0.0006    0.0054   -0.0035   -0.0033
            Z     0.0155   -0.0180   -0.0097   -0.0001   -0.0078    0.0023
 AT. 103 O  X     0.0037   -0.0061    0.0083   -0.0076   -0.0043    0.0119
            Y     0.0187   -0.0108    0.0006   -0.0054   -0.0035    0.0033
            Z     0.0155   -0.0180   -0.0097   -0.0001    0.0078    0.0023
 AT. 104 O  X     0.0037    0.0061    0.0083    0.0076    0.0043   -0.0119
            Y     0.0187    0.0108    0.0006    0.0054    0.0035   -0.0033
            Z    -0.0155   -0.0180    0.0097   -0.0001    0.0078    0.0023
 AT. 105 O  X     0.0037    0.0061   -0.0083   -0.0076   -0.0043   -0.0119
            Y    -0.0187   -0.0108    0.0006    0.0054    0.0035    0.0033
            Z    -0.0155   -0.0180   -0.0097    0.0001   -0.0078    0.0023
 AT. 106 O  X     0.0037   -0.0061   -0.0083    0.0076    0.0043    0.0119
            Y    -0.0187    0.0108    0.0006   -0.0054   -0.0035   -0.0033
            Z     0.0155   -0.0180    0.0097    0.0001   -0.0078    0.0023
 AT. 107 O  X     0.0037   -0.0061   -0.0083    0.0076   -0.0043    0.0119
            Y     0.0187   -0.0108   -0.0006    0.0054   -0.0035    0.0033
            Z     0.0155   -0.0180    0.0097    0.0001    0.0078    0.0023
 AT. 108 O  X     0.0037    0.0061   -0.0083   -0.0076    0.0043   -0.0119
            Y     0.0187    0.0108   -0.0006   -0.0054    0.0035   -0.0033
            Z    -0.0155   -0.0180   -0.0097    0.0001    0.0078    0.0023
 AT. 109 O  X     0.0048   -0.0047    0.0029   -0.0005    0.0064   -0.0004
            Y    -0.0026   -0.0014    0.0112   -0.0143    0.0015   -0.0004
            Z    -0.0063    0.0087    0.0138   -0.0036   -0.0168   -0.0081
 AT. 110 O  X     0.0048    0.0047    0.0029    0.0005   -0.0064    0.0004
            Y    -0.0026    0.0014    0.0112    0.0143   -0.0015    0.0004
            Z     0.0063    0.0087   -0.0138   -0.0036   -0.0168   -0.0081
 AT. 111 O  X     0.0048    0.0047    0.0029    0.0005    0.0064    0.0004
            Y     0.0026   -0.0014   -0.0112   -0.0143   -0.0015   -0.0004
            Z     0.0063    0.0087   -0.0138   -0.0036    0.0168   -0.0081
 AT. 112 O  X     0.0048   -0.0047    0.0029   -0.0005   -0.0064   -0.0004
            Y     0.0026    0.0014   -0.0112    0.0143    0.0015    0.0004
            Z    -0.0063    0.0087    0.0138   -0.0036    0.0168   -0.0081
 AT. 113 O  X     0.0048   -0.0047   -0.0029    0.0005    0.0064   -0.0004
            Y    -0.0026   -0.0014   -0.0112    0.0143    0.0015   -0.0004
            Z    -0.0063    0.0087   -0.0138    0.0036   -0.0168   -0.0081
 AT. 114 O  X     0.0048    0.0047   -0.0029   -0.0005   -0.0064    0.0004
            Y    -0.0026    0.0014   -0.0112   -0.0143   -0.0015    0.0004
            Z     0.0063    0.0087    0.0138    0.0036   -0.0168   -0.0081
 AT. 115 O  X     0.0048    0.0047   -0.0029   -0.0005    0.0064    0.0004
            Y     0.0026   -0.0014    0.0112    0.0143   -0.0015   -0.0004
            Z     0.0063    0.0087    0.0138    0.0036    0.0168   -0.0081
 AT. 116 O  X     0.0048   -0.0047   -0.0029    0.0005   -0.0064   -0.0004
            Y     0.0026    0.0014    0.0112   -0.0143    0.0015    0.0004
            Z    -0.0063    0.0087   -0.0138    0.0036    0.0168   -0.0081
 AT. 117 O  X    -0.0043    0.0069    0.0003    0.0040   -0.0148   -0.0072
            Y    -0.0063   -0.0074    0.0121    0.0013    0.0060   -0.0034
            Z     0.0058   -0.0051   -0.0027   -0.0004    0.0136    0.0123
 AT. 118 O  X    -0.0043   -0.0069    0.0003   -0.0040    0.0148    0.0072
            Y    -0.0063    0.0074    0.0121   -0.0013   -0.0060    0.0034
            Z    -0.0058   -0.0051    0.0027   -0.0004    0.0136    0.0123
 AT. 119 O  X    -0.0043   -0.0069    0.0003   -0.0040   -0.0148    0.0072
            Y     0.0063   -0.0074   -0.0121    0.0013   -0.0060   -0.0034
            Z    -0.0058   -0.0051    0.0027   -0.0004   -0.0136    0.0123
 AT. 120 O  X    -0.0043    0.0069    0.0003    0.0040    0.0148   -0.0072
            Y     0.0063    0.0074   -0.0121   -0.0013    0.0060    0.0034
            Z     0.0058   -0.0051   -0.0027   -0.0004   -0.0136    0.0123
 AT. 121 O  X    -0.0043    0.0069   -0.0003   -0.0040   -0.0148   -0.0072
            Y    -0.0063   -0.0074   -0.0121   -0.0013    0.0060   -0.0034
            Z     0.0058   -0.0051    0.0027    0.0004    0.0136    0.0123
 AT. 122 O  X    -0.0043   -0.0069   -0.0003    0.0040    0.0148    0.0072
            Y    -0.0063    0.0074   -0.0121    0.0013   -0.0060    0.0034
            Z    -0.0058   -0.0051   -0.0027    0.0004    0.0136    0.0123
 AT. 123 O  X    -0.0043   -0.0069   -0.0003    0.0040   -0.0148    0.0072
            Y     0.0063   -0.0074    0.0121   -0.0013   -0.0060   -0.0034
            Z    -0.0058   -0.0051   -0.0027    0.0004   -0.0136    0.0123
 AT. 124 O  X    -0.0043    0.0069   -0.0003   -0.0040    0.0148   -0.0072
            Y     0.0063    0.0074    0.0121    0.0013    0.0060    0.0034
            Z     0.0058   -0.0051    0.0027    0.0004   -0.0136    0.0123

 FREQ(CM**-1)    230.89    235.06    235.30    236.28    237.66    240.41

 AT.   1 SI X     0.0022   -0.0023    0.0014    0.0029   -0.0086   -0.0030
            Y    -0.0007   -0.0081    0.0044    0.0047    0.0012   -0.0086
            Z    -0.0024   -0.0094   -0.0039   -0.0063    0.0060   -0.0102
 AT.   2 SI X     0.0022    0.0023    0.0014   -0.0029   -0.0086   -0.0030
            Y    -0.0007    0.0081    0.0044   -0.0047    0.0012   -0.0086
            Z     0.0024   -0.0094    0.0039   -0.0063   -0.0060    0.0102
 AT.   3 SI X    -0.0022   -0.0023   -0.0014    0.0029    0.0086   -0.0030
            Y    -0.0007    0.0081    0.0044   -0.0047    0.0012    0.0086
            Z    -0.0024    0.0094   -0.0039    0.0063    0.0060    0.0102
 AT.   4 SI X    -0.0022    0.0023   -0.0014   -0.0029    0.0086   -0.0030
            Y    -0.0007   -0.0081    0.0044    0.0047    0.0012    0.0086
            Z     0.0024    0.0094    0.0039    0.0063   -0.0060   -0.0102
 AT.   5 SI X     0.0022    0.0023    0.0014    0.0029    0.0086    0.0030
            Y    -0.0007    0.0081    0.0044    0.0047   -0.0012    0.0086
            Z    -0.0024    0.0094   -0.0039   -0.0063   -0.0060    0.0102
 AT.   6 SI X     0.0022   -0.0023    0.0014   -0.0029    0.0086    0.0030
            Y    -0.0007   -0.0081    0.0044   -0.0047   -0.0012    0.0086
            Z     0.0024    0.0094    0.0039   -0.0063    0.0060   -0.0102
 AT.   7 SI X    -0.0022    0.0023   -0.0014    0.0029   -0.0086    0.0030
            Y    -0.0007   -0.0081    0.0044   -0.0047   -0.0012   -0.0086
            Z    -0.0024   -0.0094   -0.0039    0.0063   -0.0060   -0.0102
 AT.   8 SI X    -0.0022   -0.0023   -0.0014   -0.0029   -0.0086    0.0030
            Y    -0.0007    0.0081    0.0044    0.0047   -0.0012   -0.0086
            Z     0.0024   -0.0094    0.0039    0.0063    0.0060    0.0102
 AT.   9 SI X    -0.0018    0.0033   -0.0021    0.0006    0.0061    0.0006
            Y     0.0046   -0.0004    0.0045    0.0011    0.0051    0.0045
            Z     0.0049    0.0008    0.0032    0.0048   -0.0057   -0.0020
 AT.  10 SI X    -0.0018   -0.0033   -0.0021   -0.0006    0.0061    0.0006
            Y     0.0046    0.0004    0.0045   -0.0011    0.0051    0.0045
            Z    -0.0049    0.0008   -0.0032    0.0048    0.0057    0.0020
 AT.  11 SI X     0.0018    0.0033    0.0021    0.0006   -0.0061    0.0006
            Y     0.0046    0.0004    0.0045   -0.0011    0.0051   -0.0045
            Z     0.0049   -0.0008    0.0032   -0.0048   -0.0057    0.0020
 AT.  12 SI X     0.0018   -0.0033    0.0021   -0.0006   -0.0061    0.0006
            Y     0.0046   -0.0004    0.0045    0.0011    0.0051   -0.0045
            Z    -0.0049   -0.0008   -0.0032   -0.0048    0.0057   -0.0020
 AT.  13 SI X    -0.0018   -0.0033   -0.0021    0.0006   -0.0061   -0.0006
            Y     0.0046    0.0004    0.0045    0.0011   -0.0051   -0.0045
            Z     0.0049   -0.0008    0.0032    0.0048    0.0057    0.0020
 AT.  14 SI X    -0.0018    0.0033   -0.0021   -0.0006   -0.0061   -0.0006
            Y     0.0046   -0.0004    0.0045   -0.0011   -0.0051   -0.0045
            Z    -0.0049   -0.0008   -0.0032    0.0048   -0.0057   -0.0020
 AT.  15 SI X     0.0018   -0.0033    0.0021    0.0006    0.0061   -0.0006
            Y     0.0046   -0.0004    0.0045   -0.0011   -0.0051    0.0045
            Z     0.0049    0.0008    0.0032   -0.0048    0.0057   -0.0020
 AT.  16 SI X     0.0018    0.0033    0.0021   -0.0006    0.0061   -0.0006
            Y     0.0046    0.0004    0.0045    0.0011   -0.0051    0.0045
            Z    -0.0049    0.0008   -0.0032   -0.0048   -0.0057    0.0020
 AT.  17 SI X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0045
            Y    -0.0058    0.0021   -0.0041   -0.0079    0.0069    0.0000
            Z     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0075
 AT.  18 SI X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0045
            Y    -0.0058   -0.0021   -0.0041    0.0079    0.0069    0.0000
            Z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0075
 AT.  19 SI X     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0045
            Y    -0.0058   -0.0021   -0.0041   -0.0079   -0.0069    0.0000
            Z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0075
 AT.  20 SI X     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0045
            Y    -0.0058    0.0021   -0.0041    0.0079   -0.0069    0.0000
            Z     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0075
 AT.  21 CA X    -0.0055    0.0033   -0.0042   -0.0023    0.0103    0.0036
            Y     0.0083   -0.0030   -0.0004   -0.0098   -0.0001    0.0004
            Z     0.0133    0.0024    0.0110   -0.0023   -0.0078    0.0036
 AT.  22 CA X    -0.0055   -0.0033   -0.0042    0.0023    0.0103    0.0036
            Y     0.0083    0.0030   -0.0004    0.0098   -0.0001    0.0004
            Z    -0.0133    0.0024   -0.0110   -0.0023    0.0078   -0.0036
 AT.  23 CA X     0.0055    0.0033    0.0042   -0.0023   -0.0103    0.0036
            Y     0.0083    0.0030   -0.0004    0.0098   -0.0001   -0.0004
            Z     0.0133   -0.0024    0.0110    0.0023   -0.0078   -0.0036
 AT.  24 CA X     0.0055   -0.0033    0.0042    0.0023   -0.0103    0.0036
            Y     0.0083   -0.0030   -0.0004   -0.0098   -0.0001   -0.0004
            Z    -0.0133   -0.0024   -0.0110    0.0023    0.0078    0.0036
 AT.  25 CA X    -0.0055   -0.0033   -0.0042   -0.0023   -0.0103   -0.0036
            Y     0.0083    0.0030   -0.0004   -0.0098    0.0001   -0.0004
            Z     0.0133   -0.0024    0.0110   -0.0023    0.0078   -0.0036
 AT.  26 CA X    -0.0055    0.0033   -0.0042    0.0023   -0.0103   -0.0036
            Y     0.0083   -0.0030   -0.0004    0.0098    0.0001   -0.0004
            Z    -0.0133   -0.0024   -0.0110   -0.0023   -0.0078    0.0036
 AT.  27 CA X     0.0055   -0.0033    0.0042   -0.0023    0.0103   -0.0036
            Y     0.0083   -0.0030   -0.0004    0.0098    0.0001    0.0004
            Z     0.0133    0.0024    0.0110    0.0023    0.0078    0.0036
 AT.  28 CA X     0.0055    0.0033    0.0042    0.0023    0.0103   -0.0036
            Y     0.0083    0.0030   -0.0004   -0.0098    0.0001    0.0004
            Z    -0.0133    0.0024   -0.0110    0.0023   -0.0078   -0.0036
 AT.  29 CA X     0.0075    0.0000   -0.0130   -0.0040    0.0000    0.0000
            Y    -0.0094    0.0000   -0.0037   -0.0013    0.0000    0.0000
            Z    -0.0022    0.0000    0.0020    0.0088    0.0000    0.0000
 AT.  30 CA X     0.0075    0.0000   -0.0130    0.0040    0.0000    0.0000
            Y    -0.0094    0.0000   -0.0037    0.0013    0.0000    0.0000
            Z     0.0022    0.0000   -0.0020    0.0088    0.0000    0.0000
 AT.  31 CA X    -0.0075    0.0000    0.0130   -0.0040    0.0000    0.0000
            Y    -0.0094    0.0000   -0.0037    0.0013    0.0000    0.0000
            Z    -0.0022    0.0000    0.0020   -0.0088    0.0000    0.0000
 AT.  32 CA X    -0.0075    0.0000    0.0130    0.0040    0.0000    0.0000
            Y    -0.0094    0.0000   -0.0037   -0.0013    0.0000    0.0000
            Z     0.0022    0.0000   -0.0020   -0.0088    0.0000    0.0000
 AT.  33 CA X    -0.0004   -0.0119    0.0135    0.0032   -0.0128   -0.0087
            Y    -0.0054    0.0200   -0.0094   -0.0052    0.0038    0.0147
            Z    -0.0012   -0.0086   -0.0060   -0.0035    0.0029   -0.0081
 AT.  34 CA X    -0.0004    0.0119    0.0135   -0.0032   -0.0128   -0.0087
            Y    -0.0054   -0.0200   -0.0094    0.0052    0.0038    0.0147
            Z     0.0012   -0.0086    0.0060   -0.0035   -0.0029    0.0081
 AT.  35 CA X     0.0004   -0.0119   -0.0135    0.0032    0.0128   -0.0087
            Y    -0.0054   -0.0200   -0.0094    0.0052    0.0038   -0.0147
            Z    -0.0012    0.0086   -0.0060    0.0035    0.0029    0.0081
 AT.  36 CA X     0.0004    0.0119   -0.0135   -0.0032    0.0128   -0.0087
            Y    -0.0054    0.0200   -0.0094   -0.0052    0.0038   -0.0147
            Z     0.0012    0.0086    0.0060    0.0035   -0.0029   -0.0081
 AT.  37 CA X    -0.0004    0.0119    0.0135    0.0032    0.0128    0.0087
            Y    -0.0054   -0.0200   -0.0094   -0.0052   -0.0038   -0.0147
            Z    -0.0012    0.0086   -0.0060   -0.0035   -0.0029    0.0081
 AT.  38 CA X    -0.0004   -0.0119    0.0135   -0.0032    0.0128    0.0087
            Y    -0.0054    0.0200   -0.0094    0.0052   -0.0038   -0.0147
            Z     0.0012    0.0086    0.0060   -0.0035    0.0029   -0.0081
 AT.  39 CA X     0.0004    0.0119   -0.0135    0.0032   -0.0128    0.0087
            Y    -0.0054    0.0200   -0.0094    0.0052   -0.0038    0.0147
            Z    -0.0012   -0.0086   -0.0060    0.0035   -0.0029   -0.0081
 AT.  40 CA X     0.0004   -0.0119   -0.0135   -0.0032   -0.0128    0.0087
            Y    -0.0054   -0.0200   -0.0094   -0.0052   -0.0038    0.0147
            Z     0.0012   -0.0086    0.0060    0.0035    0.0029    0.0081
 AT.  41 CA X     0.0153    0.0082   -0.0054   -0.0192    0.0039    0.0110
            Y    -0.0046   -0.0129    0.0110    0.0154    0.0136   -0.0156
            Z    -0.0263    0.0097   -0.0025    0.0149   -0.0122    0.0094
 AT.  42 CA X     0.0153   -0.0082   -0.0054    0.0192    0.0039    0.0110
            Y    -0.0046    0.0129    0.0110   -0.0154    0.0136   -0.0156
            Z     0.0263    0.0097    0.0025    0.0149    0.0122   -0.0094
 AT.  43 CA X    -0.0153    0.0082    0.0054   -0.0192   -0.0039    0.0110
            Y    -0.0046    0.0129    0.0110   -0.0154    0.0136    0.0156
            Z    -0.0263   -0.0097   -0.0025   -0.0149   -0.0122   -0.0094
 AT.  44 CA X    -0.0153   -0.0082    0.0054    0.0192   -0.0039    0.0110
            Y    -0.0046   -0.0129    0.0110    0.0154    0.0136    0.0156
            Z     0.0263   -0.0097    0.0025   -0.0149    0.0122    0.0094
 AT.  45 CA X     0.0153   -0.0082   -0.0054   -0.0192   -0.0039   -0.0110
            Y    -0.0046    0.0129    0.0110    0.0154   -0.0136    0.0156
            Z    -0.0263   -0.0097   -0.0025    0.0149    0.0122   -0.0094
 AT.  46 CA X     0.0153    0.0082   -0.0054    0.0192   -0.0039   -0.0110
            Y    -0.0046   -0.0129    0.0110   -0.0154   -0.0136    0.0156
            Z     0.0263   -0.0097    0.0025    0.0149   -0.0122    0.0094
 AT.  47 CA X    -0.0153   -0.0082    0.0054   -0.0192    0.0039   -0.0110
            Y    -0.0046   -0.0129    0.0110   -0.0154   -0.0136   -0.0156
            Z    -0.0263    0.0097   -0.0025   -0.0149    0.0122    0.0094
 AT.  48 CA X    -0.0153    0.0082    0.0054    0.0192    0.0039   -0.0110
            Y    -0.0046    0.0129    0.0110    0.0154   -0.0136   -0.0156
            Z     0.0263    0.0097    0.0025   -0.0149   -0.0122   -0.0094
 AT.  49 CA X     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0002
            Y    -0.0026    0.0030   -0.0239   -0.0080    0.0148    0.0000
            Z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0181
 AT.  50 CA X     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0002
            Y    -0.0026   -0.0030   -0.0239    0.0080    0.0148    0.0000
            Z     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0181
 AT.  51 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0002
            Y    -0.0026   -0.0030   -0.0239   -0.0080   -0.0148    0.0000
            Z     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0181
 AT.  52 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0002
            Y    -0.0026    0.0030   -0.0239    0.0080   -0.0148    0.0000
            Z     0.0000    0.0000    0.0000    0.0000    0.0000    0.0181
 AT.  53 O  X     0.0016   -0.0017    0.0017    0.0095   -0.0045   -0.0044
            Y    -0.0002   -0.0071    0.0039    0.0002    0.0004   -0.0069
            Z     0.0023   -0.0087    0.0043   -0.0036    0.0019   -0.0037
 AT.  54 O  X     0.0016    0.0017    0.0017   -0.0095   -0.0045   -0.0044
            Y    -0.0002    0.0071    0.0039   -0.0002    0.0004   -0.0069
            Z    -0.0023   -0.0087   -0.0043   -0.0036   -0.0019    0.0037
 AT.  55 O  X    -0.0016   -0.0017   -0.0017    0.0095    0.0045   -0.0044
            Y    -0.0002    0.0071    0.0039   -0.0002    0.0004    0.0069
            Z     0.0023    0.0087    0.0043    0.0036    0.0019    0.0037
 AT.  56 O  X    -0.0016    0.0017   -0.0017   -0.0095    0.0045   -0.0044
            Y    -0.0002   -0.0071    0.0039    0.0002    0.0004    0.0069
            Z    -0.0023    0.0087   -0.0043    0.0036   -0.0019   -0.0037
 AT.  57 O  X     0.0016    0.0017    0.0017    0.0095    0.0045    0.0044
            Y    -0.0002    0.0071    0.0039    0.0002   -0.0004    0.0069
            Z     0.0023    0.0087    0.0043   -0.0036   -0.0019    0.0037
 AT.  58 O  X     0.0016   -0.0017    0.0017   -0.0095    0.0045    0.0044
            Y    -0.0002   -0.0071    0.0039   -0.0002   -0.0004    0.0069
            Z    -0.0023    0.0087   -0.0043   -0.0036    0.0019   -0.0037
 AT.  59 O  X    -0.0016    0.0017   -0.0017    0.0095   -0.0045    0.0044
            Y    -0.0002   -0.0071    0.0039   -0.0002   -0.0004   -0.0069
            Z     0.0023   -0.0087    0.0043    0.0036   -0.0019   -0.0037
 AT.  60 O  X    -0.0016   -0.0017   -0.0017   -0.0095   -0.0045    0.0044
            Y    -0.0002    0.0071    0.0039    0.0002   -0.0004   -0.0069
            Z    -0.0023   -0.0087   -0.0043    0.0036    0.0019    0.0037
 AT.  61 O  X    -0.0030    0.0084    0.0046    0.0067   -0.0088    0.0089
            Y     0.0028   -0.0111    0.0100    0.0024    0.0035   -0.0069
            Z    -0.0070   -0.0012   -0.0049   -0.0027    0.0045   -0.0040
 AT.  62 O  X    -0.0030   -0.0084    0.0046   -0.0067   -0.0088    0.0089
            Y     0.0028    0.0111    0.0100   -0.0024    0.0035   -0.0069
            Z     0.0070   -0.0012    0.0049   -0.0027   -0.0045    0.0040
 AT.  63 O  X     0.0030    0.0084   -0.0046    0.0067    0.0088    0.0089
            Y     0.0028    0.0111    0.0100   -0.0024    0.0035    0.0069
            Z    -0.0070    0.0012   -0.0049    0.0027    0.0045    0.0040
 AT.  64 O  X     0.0030   -0.0084   -0.0046   -0.0067    0.0088    0.0089
            Y     0.0028   -0.0111    0.0100    0.0024    0.0035    0.0069
            Z     0.0070    0.0012    0.0049    0.0027   -0.0045   -0.0040
 AT.  65 O  X    -0.0030   -0.0084    0.0046    0.0067    0.0088   -0.0089
            Y     0.0028    0.0111    0.0100    0.0024   -0.0035    0.0069
            Z    -0.0070    0.0012   -0.0049   -0.0027   -0.0045    0.0040
 AT.  66 O  X    -0.0030    0.0084    0.0046   -0.0067    0.0088   -0.0089
            Y     0.0028   -0.0111    0.0100   -0.0024   -0.0035    0.0069
            Z     0.0070    0.0012    0.0049   -0.0027    0.0045   -0.0040
 AT.  67 O  X     0.0030   -0.0084   -0.0046    0.0067   -0.0088   -0.0089
            Y     0.0028   -0.0111    0.0100   -0.0024   -0.0035   -0.0069
            Z    -0.0070   -0.0012   -0.0049    0.0027   -0.0045   -0.0040
 AT.  68 O  X     0.0030    0.0084   -0.0046   -0.0067   -0.0088   -0.0089
            Y     0.0028    0.0111    0.0100    0.0024   -0.0035   -0.0069
            Z     0.0070   -0.0012    0.0049    0.0027    0.0045    0.0040
 AT.  69 O  X     0.0020   -0.0069   -0.0059   -0.0063   -0.0103   -0.0070
            Y    -0.0041   -0.0029    0.0003   -0.0034    0.0039   -0.0088
            Z    -0.0020   -0.0038   -0.0006   -0.0059    0.0073   -0.0078
 AT.  70 O  X     0.0020    0.0069   -0.0059    0.0063   -0.0103   -0.0070
            Y    -0.0041    0.0029    0.0003    0.0034    0.0039   -0.0088
            Z     0.0020   -0.0038    0.0006   -0.0059   -0.0073    0.0078
 AT.  71 O  X    -0.0020   -0.0069    0.0059   -0.0063    0.0103   -0.0070
            Y    -0.0041    0.0029    0.0003    0.0034    0.0039    0.0088
            Z    -0.0020    0.0038   -0.0006    0.0059    0.0073    0.0078
 AT.  72 O  X    -0.0020    0.0069    0.0059    0.0063    0.0103   -0.0070
            Y    -0.0041   -0.0029    0.0003   -0.0034    0.0039    0.0088
            Z     0.0020    0.0038    0.0006    0.0059   -0.0073   -0.0078
 AT.  73 O  X     0.0020    0.0069   -0.0059   -0.0063    0.0103    0.0070
            Y    -0.0041    0.0029    0.0003   -0.0034   -0.0039    0.0088
            Z    -0.0020    0.0038   -0.0006   -0.0059   -0.0073    0.0078
 AT.  74 O  X     0.0020   -0.0069   -0.0059    0.0063    0.0103    0.0070
            Y    -0.0041   -0.0029    0.0003    0.0034   -0.0039    0.0088
            Z     0.0020    0.0038    0.0006   -0.0059    0.0073   -0.0078
 AT.  75 O  X    -0.0020    0.0069    0.0059   -0.0063   -0.0103    0.0070
            Y    -0.0041   -0.0029    0.0003    0.0034   -0.0039   -0.0088
            Z    -0.0020   -0.0038   -0.0006    0.0059   -0.0073   -0.0078
 AT.  76 O  X    -0.0020   -0.0069    0.0059    0.0063   -0.0103    0.0070
            Y    -0.0041    0.0029    0.0003   -0.0034   -0.0039   -0.0088
            Z     0.0020   -0.0038    0.0006    0.0059    0.0073    0.0078
 AT.  77 O  X     0.0014   -0.0021    0.0011    0.0035   -0.0093   -0.0029
            Y     0.0004   -0.0045    0.0009    0.0081    0.0045   -0.0061
            Z     0.0081   -0.0115   -0.0056   -0.0152    0.0036   -0.0128
 AT.  78 O  X     0.0014    0.0021    0.0011   -0.0035   -0.0093   -0.0029
            Y     0.0004    0.0045    0.0009   -0.0081    0.0045   -0.0061
            Z    -0.0081   -0.0115    0.0056   -0.0152   -0.0036    0.0128
 AT.  79 O  X    -0.0014   -0.0021   -0.0011    0.0035    0.0093   -0.0029
            Y     0.0004    0.0045    0.0009   -0.0081    0.0045    0.0061
            Z     0.0081    0.0115   -0.0056    0.0152    0.0036    0.0128
 AT.  80 O  X    -0.0014    0.0021   -0.0011   -0.0035    0.0093   -0.0029
            Y     0.0004   -0.0045    0.0009    0.0081    0.0045    0.0061
            Z    -0.0081    0.0115    0.0056    0.0152   -0.0036   -0.0128
 AT.  81 O  X     0.0014    0.0021    0.0011    0.0035    0.0093    0.0029
            Y     0.0004    0.0045    0.0009    0.0081   -0.0045    0.0061
            Z     0.0081    0.0115   -0.0056   -0.0152   -0.0036    0.0128
 AT.  82 O  X     0.0014   -0.0021    0.0011   -0.0035    0.0093    0.0029
            Y     0.0004   -0.0045    0.0009   -0.0081   -0.0045    0.0061
            Z    -0.0081    0.0115    0.0056   -0.0152    0.0036   -0.0128
 AT.  83 O  X    -0.0014    0.0021   -0.0011    0.0035   -0.0093    0.0029
            Y     0.0004   -0.0045    0.0009   -0.0081   -0.0045   -0.0061
            Z     0.0081   -0.0115   -0.0056    0.0152   -0.0036   -0.0128
 AT.  84 O  X    -0.0014   -0.0021   -0.0011   -0.0035   -0.0093    0.0029
            Y     0.0004    0.0045    0.0009    0.0081   -0.0045   -0.0061
            Z    -0.0081   -0.0115    0.0056    0.0152    0.0036    0.0128
 AT.  85 O  X    -0.0007    0.0042   -0.0079   -0.0014    0.0183    0.0008
            Y     0.0135    0.0003   -0.0102    0.0051    0.0114    0.0053
            Z    -0.0018    0.0011    0.0082   -0.0013   -0.0034   -0.0020
 AT.  86 O  X    -0.0007   -0.0042   -0.0079    0.0014    0.0183    0.0008
            Y     0.0135   -0.0003   -0.0102   -0.0051    0.0114    0.0053
            Z     0.0018    0.0011   -0.0082   -0.0013    0.0034    0.0020
 AT.  87 O  X     0.0007    0.0042    0.0079   -0.0014   -0.0183    0.0008
            Y     0.0135   -0.0003   -0.0102   -0.0051    0.0114   -0.0053
            Z    -0.0018   -0.0011    0.0082    0.0013   -0.0034    0.0020
 AT.  88 O  X     0.0007   -0.0042    0.0079    0.0014   -0.0183    0.0008
            Y     0.0135    0.0003   -0.0102    0.0051    0.0114   -0.0053
            Z     0.0018   -0.0011   -0.0082    0.0013    0.0034   -0.0020
 AT.  89 O  X    -0.0007   -0.0042   -0.0079   -0.0014   -0.0183   -0.0008
            Y     0.0135   -0.0003   -0.0102    0.0051   -0.0114   -0.0053
            Z    -0.0018   -0.0011    0.0082   -0.0013    0.0034    0.0020
 AT.  90 O  X    -0.0007    0.0042   -0.0079    0.0014   -0.0183   -0.0008
            Y     0.0135    0.0003   -0.0102   -0.0051   -0.0114   -0.0053
            Z     0.0018   -0.0011   -0.0082   -0.0013   -0.0034   -0.0020
 AT.  91 O  X     0.0007   -0.0042    0.0079   -0.0014    0.0183   -0.0008
            Y     0.0135    0.0003   -0.0102   -0.0051   -0.0114    0.0053
            Z    -0.0018    0.0011    0.0082    0.0013    0.0034   -0.0020
 AT.  92 O  X     0.0007    0.0042    0.0079    0.0014    0.0183   -0.0008
            Y     0.0135   -0.0003   -0.0102    0.0051   -0.0114    0.0053
            Z     0.0018    0.0011   -0.0082    0.0013   -0.0034    0.0020
 AT.  93 O  X     0.0037    0.0120   -0.0043    0.0034   -0.0027    0.0081
            Y     0.0017   -0.0045    0.0066   -0.0002    0.0093    0.0002
            Z     0.0086    0.0151   -0.0227    0.0095    0.0016    0.0091
 AT.  94 O  X     0.0037   -0.0120   -0.0043   -0.0034   -0.0027    0.0081
            Y     0.0017    0.0045    0.0066    0.0002    0.0093    0.0002
            Z    -0.0086    0.0151    0.0227    0.0095   -0.0016   -0.0091
 AT.  95 O  X    -0.0037    0.0120    0.0043    0.0034    0.0027    0.0081
            Y     0.0017    0.0045    0.0066    0.0002    0.0093   -0.0002
            Z     0.0086   -0.0151   -0.0227   -0.0095    0.0016   -0.0091
 AT.  96 O  X    -0.0037   -0.0120    0.0043   -0.0034    0.0027    0.0081
            Y     0.0017   -0.0045    0.0066   -0.0002    0.0093   -0.0002
            Z    -0.0086   -0.0151    0.0227   -0.0095   -0.0016    0.0091
 AT.  97 O  X     0.0037   -0.0120   -0.0043    0.0034    0.0027   -0.0081
            Y     0.0017    0.0045    0.0066   -0.0002   -0.0093   -0.0002
            Z     0.0086   -0.0151   -0.0227    0.0095   -0.0016   -0.0091
 AT.  98 O  X     0.0037    0.0120   -0.0043   -0.0034    0.0027   -0.0081
            Y     0.0017   -0.0045    0.0066    0.0002   -0.0093   -0.0002
            Z    -0.0086   -0.0151    0.0227    0.0095    0.0016    0.0091
 AT.  99 O  X    -0.0037   -0.0120    0.0043    0.0034   -0.0027   -0.0081
            Y     0.0017   -0.0045    0.0066    0.0002   -0.0093    0.0002
            Z     0.0086    0.0151   -0.0227   -0.0095   -0.0016    0.0091
 AT. 100 O  X    -0.0037    0.0120    0.0043   -0.0034   -0.0027   -0.0081
            Y     0.0017    0.0045    0.0066   -0.0002   -0.0093    0.0002
            Z    -0.0086    0.0151    0.0227   -0.0095    0.0016   -0.0091
 AT. 101 O  X    -0.0032    0.0030   -0.0009    0.0019    0.0030    0.0038
            Y    -0.0027   -0.0024    0.0090   -0.0110    0.0060    0.0002
            Z    -0.0027    0.0015    0.0070   -0.0013    0.0004   -0.0035
 AT. 102 O  X    -0.0032   -0.0030   -0.0009   -0.0019    0.0030    0.0038
            Y    -0.0027    0.0024    0.0090    0.0110    0.0060    0.0002
            Z     0.0027    0.0015   -0.0070   -0.0013   -0.0004    0.0035
 AT. 103 O  X     0.0032    0.0030    0.0009    0.0019   -0.0030    0.0038
            Y    -0.0027    0.0024    0.0090    0.0110    0.0060   -0.0002
            Z    -0.0027   -0.0015    0.0070    0.0013    0.0004    0.0035
 AT. 104 O  X     0.0032   -0.0030    0.0009   -0.0019   -0.0030    0.0038
            Y    -0.0027   -0.0024    0.0090   -0.0110    0.0060   -0.0002
            Z     0.0027   -0.0015   -0.0070    0.0013   -0.0004   -0.0035
 AT. 105 O  X    -0.0032   -0.0030   -0.0009    0.0019   -0.0030   -0.0038
            Y    -0.0027    0.0024    0.0090   -0.0110   -0.0060   -0.0002
            Z    -0.0027   -0.0015    0.0070   -0.0013   -0.0004    0.0035
 AT. 106 O  X    -0.0032    0.0030   -0.0009   -0.0019   -0.0030   -0.0038
            Y    -0.0027   -0.0024    0.0090    0.0110   -0.0060   -0.0002
            Z     0.0027   -0.0015   -0.0070   -0.0013    0.0004   -0.0035
 AT. 107 O  X     0.0032   -0.0030    0.0009    0.0019    0.0030   -0.0038
            Y    -0.0027   -0.0024    0.0090    0.0110   -0.0060    0.0002
            Z    -0.0027    0.0015    0.0070    0.0013   -0.0004   -0.0035
 AT. 108 O  X     0.0032    0.0030    0.0009   -0.0019    0.0030   -0.0038
            Y    -0.0027    0.0024    0.0090   -0.0110   -0.0060    0.0002
            Z     0.0027    0.0015   -0.0070    0.0013    0.0004    0.0035
 AT. 109 O  X    -0.0018    0.0034   -0.0029    0.0001    0.0071    0.0015
            Y     0.0029    0.0086    0.0034   -0.0006   -0.0056    0.0070
            Z    -0.0077   -0.0097    0.0132    0.0033   -0.0165   -0.0025
 AT. 110 O  X    -0.0018   -0.0034   -0.0029   -0.0001    0.0071    0.0015
            Y     0.0029   -0.0086    0.0034    0.0006   -0.0056    0.0070
            Z     0.0077   -0.0097   -0.0132    0.0033    0.0165    0.0025
 AT. 111 O  X     0.0018    0.0034    0.0029    0.0001   -0.0071    0.0015
            Y     0.0029   -0.0086    0.0034    0.0006   -0.0056   -0.0070
            Z    -0.0077    0.0097    0.0132   -0.0033   -0.0165    0.0025
 AT. 112 O  X     0.0018   -0.0034    0.0029   -0.0001   -0.0071    0.0015
            Y     0.0029    0.0086    0.0034   -0.0006   -0.0056   -0.0070
            Z     0.0077    0.0097   -0.0132   -0.0033    0.0165   -0.0025
 AT. 113 O  X    -0.0018   -0.0034   -0.0029    0.0001   -0.0071   -0.0015
            Y     0.0029   -0.0086    0.0034   -0.0006    0.0056   -0.0070
            Z    -0.0077    0.0097    0.0132    0.0033    0.0165    0.0025
 AT. 114 O  X    -0.0018    0.0034   -0.0029   -0.0001   -0.0071   -0.0015
            Y     0.0029    0.0086    0.0034    0.0006    0.0056   -0.0070
            Z     0.0077    0.0097   -0.0132    0.0033   -0.0165   -0.0025
 AT. 115 O  X     0.0018   -0.0034    0.0029    0.0001    0.0071   -0.0015
            Y     0.0029    0.0086    0.0034    0.0006    0.0056    0.0070
            Z    -0.0077   -0.0097    0.0132   -0.0033    0.0165   -0.0025
 AT. 116 O  X     0.0018    0.0034    0.0029   -0.0001    0.0071   -0.0015
            Y     0.0029   -0.0086    0.0034   -0.0006    0.0056    0.0070
            Z     0.0077   -0.0097   -0.0132   -0.0033   -0.0165    0.0025
 AT. 117 O  X    -0.0029    0.0066    0.0014    0.0083    0.0105    0.0073
            Y     0.0035    0.0033   -0.0042   -0.0055    0.0000   -0.0037
            Z    -0.0075   -0.0071   -0.0006   -0.0136   -0.0039   -0.0049
 AT. 118 O  X    -0.0029   -0.0066    0.0014   -0.0083    0.0105    0.0073
            Y     0.0035   -0.0033   -0.0042    0.0055    0.0000   -0.0037
            Z     0.0075   -0.0071    0.0006   -0.0136    0.0039    0.0049
 AT. 119 O  X     0.0029    0.0066   -0.0014    0.0083   -0.0105    0.0073
            Y     0.0035   -0.0033   -0.0042    0.0055    0.0000    0.0037
            Z    -0.0075    0.0071   -0.0006    0.0136   -0.0039    0.0049
 AT. 120 O  X     0.0029   -0.0066   -0.0014   -0.0083   -0.0105    0.0073
            Y     0.0035    0.0033   -0.0042   -0.0055    0.0000    0.0037
            Z     0.0075    0.0071    0.0006    0.0136    0.0039   -0.0049
 AT. 121 O  X    -0.0029   -0.0066    0.0014    0.0083   -0.0105   -0.0073
            Y     0.0035   -0.0033   -0.0042   -0.0055    0.0000    0.0037
            Z    -0.0075    0.0071   -0.0006   -0.0136    0.0039    0.0049
 AT. 122 O  X    -0.0029    0.0066    0.0014   -0.0083   -0.0105   -0.0073
            Y     0.0035    0.0033   -0.0042    0.0055    0.0000    0.0037
            Z     0.0075    0.0071    0.0006   -0.0136   -0.0039   -0.0049
 AT. 123 O  X     0.0029   -0.0066   -0.0014    0.0083    0.0105   -0.0073
            Y     0.0035    0.0033   -0.0042    0.0055    0.0000   -0.0037
            Z    -0.0075   -0.0071   -0.0006    0.0136    0.0039   -0.0049
 AT. 124 O  X     0.0029    0.0066   -0.0014   -0.0083    0.0105   -0.0073
            Y     0.0035   -0.0033   -0.0042   -0.0055    0.0000   -0.0037
            Z     0.0075   -0.0071    0.0006    0.0136   -0.0039    0.0049

 FREQ(CM**-1)    241.56    242.07    244.25    247.41    247.56    247.69

 AT.   1 SI X    -0.0043   -0.0009    0.0089    0.0008    0.0031    0.0004
            Y    -0.0070    0.0026   -0.0006    0.0050    0.0091   -0.0013
            Z    -0.0037   -0.0018    0.0013    0.0020   -0.0053   -0.0003
 AT.   2 SI X     0.0043    0.0009    0.0089    0.0008    0.0031    0.0004
            Y     0.0070   -0.0026   -0.0006    0.0050    0.0091   -0.0013
            Z    -0.0037   -0.0018   -0.0013   -0.0020    0.0053    0.0003
 AT.   3 SI X    -0.0043   -0.0009   -0.0089    0.0008    0.0031   -0.0004
            Y     0.0070   -0.0026   -0.0006   -0.0050   -0.0091   -0.0013
            Z     0.0037    0.0018    0.0013   -0.0020    0.0053   -0.0003
 AT.   4 SI X     0.0043    0.0009   -0.0089    0.0008    0.0031   -0.0004
            Y    -0.0070    0.0026   -0.0006   -0.0050   -0.0091   -0.0013
            Z     0.0037    0.0018   -0.0013    0.0020   -0.0053    0.0003
 AT.   5 SI X     0.0043   -0.0009   -0.0089    0.0008   -0.0031    0.0004
            Y     0.0070    0.0026    0.0006    0.0050   -0.0091   -0.0013
            Z     0.0037   -0.0018   -0.0013    0.0020    0.0053   -0.0003
 AT.   6 SI X    -0.0043    0.0009   -0.0089    0.0008   -0.0031    0.0004
            Y    -0.0070   -0.0026    0.0006    0.0050   -0.0091   -0.0013
            Z     0.0037   -0.0018    0.0013   -0.0020   -0.0053    0.0003
 AT.   7 SI X     0.0043   -0.0009    0.0089    0.0008   -0.0031   -0.0004
            Y    -0.0070   -0.0026    0.0006   -0.0050    0.0091   -0.0013
            Z    -0.0037    0.0018   -0.0013   -0.0020   -0.0053   -0.0003
 AT.   8 SI X    -0.0043    0.0009    0.0089    0.0008   -0.0031   -0.0004
            Y     0.0070    0.0026    0.0006   -0.0050    0.0091   -0.0013
            Z    -0.0037    0.0018    0.0013    0.0020    0.0053    0.0003
 AT.   9 SI X     0.0045    0.0010   -0.0014   -0.0019   -0.0033    0.0014
            Y     0.0011   -0.0002    0.0018    0.0046   -0.0020   -0.0012
            Z     0.0028   -0.0048   -0.0005   -0.0050    0.0050    0.0036
 AT.  10 SI X    -0.0045   -0.0010   -0.0014   -0.0019   -0.0033    0.0014
            Y    -0.0011    0.0002    0.0018    0.0046   -0.0020   -0.0012
            Z     0.0028   -0.0048    0.0005    0.0050   -0.0050   -0.0036
 AT.  11 SI X     0.0045    0.0010    0.0014   -0.0019   -0.0033   -0.0014
            Y    -0.0011    0.0002    0.0018   -0.0046    0.0020   -0.0012
            Z    -0.0028    0.0048   -0.0005    0.0050   -0.0050    0.0036
 AT.  12 SI X    -0.0045   -0.0010    0.0014   -0.0019   -0.0033   -0.0014
            Y     0.0011   -0.0002    0.0018   -0.0046    0.0020   -0.0012
            Z    -0.0028    0.0048    0.0005   -0.0050    0.0050   -0.0036
 AT.  13 SI X    -0.0045    0.0010    0.0014   -0.0019    0.0033    0.0014
            Y    -0.0011   -0.0002   -0.0018    0.0046    0.0020   -0.0012
            Z    -0.0028   -0.0048    0.0005   -0.0050   -0.0050    0.0036
 AT.  14 SI X     0.0045   -0.0010    0.0014   -0.0019    0.0033    0.0014
            Y     0.0011    0.0002   -0.0018    0.0046    0.0020   -0.0012
            Z    -0.0028   -0.0048   -0.0005    0.0050    0.0050   -0.0036
 AT.  15 SI X    -0.0045    0.0010   -0.0014   -0.0019    0.0033   -0.0014
            Y     0.0011    0.0002   -0.0018   -0.0046   -0.0020   -0.0012
            Z     0.0028    0.0048    0.0005    0.0050    0.0050    0.0036
 AT.  16 SI X     0.0045   -0.0010   -0.0014   -0.0019    0.0033   -0.0014
            Y    -0.0011   -0.0002   -0.0018   -0.0046   -0.0020   -0.0012
            Z     0.0028    0.0048   -0.0005   -0.0050   -0.0050   -0.0036
 AT.  17 SI X     0.0000    0.0000    0.0000   -0.0074    0.0035    0.0000
            Y     0.0033   -0.0002   -0.0072    0.0000    0.0000    0.0042
            Z     0.0000    0.0000    0.0000    0.0031   -0.0004    0.0000
 AT.  18 SI X     0.0000    0.0000    0.0000   -0.0074    0.0035    0.0000
            Y    -0.0033    0.0002   -0.0072    0.0000    0.0000    0.0042
            Z     0.0000    0.0000    0.0000   -0.0031    0.0004    0.0000
 AT.  19 SI X     0.0000    0.0000    0.0000   -0.0074   -0.0035    0.0000
            Y    -0.0033   -0.0002    0.0072    0.0000    0.0000    0.0042
            Z     0.0000    0.0000    0.0000    0.0031    0.0004    0.0000
 AT.  20 SI X     0.0000    0.0000    0.0000   -0.0074   -0.0035    0.0000
            Y     0.0033    0.0002    0.0072    0.0000    0.0000    0.0042
            Z     0.0000    0.0000    0.0000   -0.0031   -0.0004    0.0000
 AT.  21 CA X    -0.0014    0.0067   -0.0014    0.0053   -0.0026    0.0001
            Y     0.0122    0.0120    0.0028    0.0207   -0.0178    0.0194
            Z    -0.0098   -0.0154   -0.0137    0.0010    0.0071   -0.0027
 AT.  22 CA X     0.0014   -0.0067   -0.0014    0.0053   -0.0026    0.0001
            Y    -0.0122   -0.0120    0.0028    0.0207   -0.0178    0.0194
            Z    -0.0098   -0.0154    0.0137   -0.0010   -0.0071    0.0027
 AT.  23 CA X    -0.0014    0.0067    0.0014    0.0053   -0.0026   -0.0001
            Y    -0.0122   -0.0120    0.0028   -0.0207    0.0178    0.0194
            Z     0.0098    0.0154   -0.0137   -0.0010   -0.0071   -0.0027
 AT.  24 CA X     0.0014   -0.0067    0.0014    0.0053   -0.0026   -0.0001
            Y     0.0122    0.0120    0.0028   -0.0207    0.0178    0.0194
            Z     0.0098    0.0154    0.0137    0.0010    0.0071    0.0027
 AT.  25 CA X     0.0014    0.0067    0.0014    0.0053    0.0026    0.0001
            Y    -0.0122    0.0120   -0.0028    0.0207    0.0178    0.0194
            Z     0.0098   -0.0154    0.0137    0.0010   -0.0071   -0.0027
 AT.  26 CA X    -0.0014   -0.0067    0.0014    0.0053    0.0026    0.0001
            Y     0.0122   -0.0120   -0.0028    0.0207    0.0178    0.0194
            Z     0.0098   -0.0154   -0.0137   -0.0010    0.0071    0.0027
 AT.  27 CA X     0.0014    0.0067   -0.0014    0.0053    0.0026   -0.0001
            Y     0.0122   -0.0120   -0.0028   -0.0207   -0.0178    0.0194
            Z    -0.0098    0.0154    0.0137   -0.0010    0.0071   -0.0027
 AT.  28 CA X    -0.0014   -0.0067   -0.0014    0.0053    0.0026   -0.0001
            Y    -0.0122    0.0120   -0.0028   -0.0207   -0.0178    0.0194
            Z    -0.0098    0.0154   -0.0137    0.0010   -0.0071    0.0027
 AT.  29 CA X     0.0000   -0.0038    0.0000   -0.0136    0.0000    0.0086
            Y     0.0000   -0.0050    0.0000   -0.0115    0.0000   -0.0045
            Z     0.0000    0.0084    0.0000    0.0093    0.0000    0.0012
 AT.  30 CA X     0.0000    0.0038    0.0000   -0.0136    0.0000    0.0086
            Y     0.0000    0.0050    0.0000   -0.0115    0.0000   -0.0045
            Z     0.0000    0.0084    0.0000   -0.0093    0.0000   -0.0012
 AT.  31 CA X     0.0000   -0.0038    0.0000   -0.0136    0.0000   -0.0086
            Y     0.0000    0.0050    0.0000    0.0115    0.0000   -0.0045
            Z     0.0000   -0.0084    0.0000   -0.0093    0.0000    0.0012
 AT.  32 CA X     0.0000    0.0038    0.0000   -0.0136    0.0000   -0.0086
            Y     0.0000   -0.0050    0.0000    0.0115    0.0000   -0.0045
            Z     0.0000   -0.0084    0.0000    0.0093    0.0000   -0.0012
 AT.  33 CA X     0.0076   -0.0131    0.0007    0.0053   -0.0093    0.0001
            Y    -0.0008    0.0036    0.0008    0.0017    0.0062   -0.0035
            Z    -0.0009    0.0004   -0.0047   -0.0026    0.0054    0.0022
 AT.  34 CA X    -0.0076    0.0131    0.0007    0.0053   -0.0093    0.0001
            Y     0.0008   -0.0036    0.0008    0.0017    0.0062   -0.0035
            Z    -0.0009    0.0004    0.0047    0.0026   -0.0054   -0.0022
 AT.  35 CA X     0.0076   -0.0131   -0.0007    0.0053   -0.0093   -0.0001
            Y     0.0008   -0.0036    0.0008   -0.0017   -0.0062   -0.0035
            Z     0.0009   -0.0004   -0.0047    0.0026   -0.0054    0.0022
 AT.  36 CA X    -0.0076    0.0131   -0.0007    0.0053   -0.0093   -0.0001
            Y    -0.0008    0.0036    0.0008   -0.0017   -0.0062   -0.0035
            Z     0.0009   -0.0004    0.0047   -0.0026    0.0054   -0.0022
 AT.  37 CA X    -0.0076   -0.0131   -0.0007    0.0053    0.0093    0.0001
            Y     0.0008    0.0036   -0.0008    0.0017   -0.0062   -0.0035
            Z     0.0009    0.0004    0.0047   -0.0026   -0.0054    0.0022
 AT.  38 CA X     0.0076    0.0131   -0.0007    0.0053    0.0093    0.0001
            Y    -0.0008   -0.0036   -0.0008    0.0017   -0.0062   -0.0035
            Z     0.0009    0.0004   -0.0047    0.0026    0.0054   -0.0022
 AT.  39 CA X    -0.0076   -0.0131    0.0007    0.0053    0.0093   -0.0001
            Y    -0.0008   -0.0036   -0.0008   -0.0017    0.0062   -0.0035
            Z    -0.0009   -0.0004    0.0047    0.0026    0.0054    0.0022
 AT.  40 CA X     0.0076    0.0131    0.0007    0.0053    0.0093   -0.0001
            Y     0.0008    0.0036   -0.0008   -0.0017    0.0062   -0.0035
            Z    -0.0009   -0.0004   -0.0047   -0.0026   -0.0054   -0.0022
 AT.  41 CA X    -0.0087   -0.0025   -0.0142    0.0048   -0.0012   -0.0097
            Y    -0.0029    0.0079    0.0047   -0.0113   -0.0076   -0.0077
            Z     0.0101   -0.0034    0.0057   -0.0080   -0.0080    0.0022
 AT.  42 CA X     0.0087    0.0025   -0.0142    0.0048   -0.0012   -0.0097
            Y     0.0029   -0.0079    0.0047   -0.0113   -0.0076   -0.0077
            Z     0.0101   -0.0034   -0.0057    0.0080    0.0080   -0.0022
 AT.  43 CA X    -0.0087   -0.0025    0.0142    0.0048   -0.0012    0.0097
            Y     0.0029   -0.0079    0.0047    0.0113    0.0076   -0.0077
            Z    -0.0101    0.0034    0.0057    0.0080    0.0080    0.0022
 AT.  44 CA X     0.0087    0.0025    0.0142    0.0048   -0.0012    0.0097
            Y    -0.0029    0.0079    0.0047    0.0113    0.0076   -0.0077
            Z    -0.0101    0.0034   -0.0057   -0.0080   -0.0080   -0.0022
 AT.  45 CA X     0.0087   -0.0025    0.0142    0.0048    0.0012   -0.0097
            Y     0.0029    0.0079   -0.0047   -0.0113    0.0076   -0.0077
            Z    -0.0101   -0.0034   -0.0057   -0.0080    0.0080    0.0022
 AT.  46 CA X    -0.0087    0.0025    0.0142    0.0048    0.0012   -0.0097
            Y    -0.0029   -0.0079   -0.0047   -0.0113    0.0076   -0.0077
            Z    -0.0101   -0.0034    0.0057    0.0080   -0.0080   -0.0022
 AT.  47 CA X     0.0087   -0.0025   -0.0142    0.0048    0.0012    0.0097
            Y    -0.0029   -0.0079   -0.0047    0.0113   -0.0076   -0.0077
            Z     0.0101    0.0034   -0.0057    0.0080   -0.0080    0.0022
 AT.  48 CA X    -0.0087    0.0025   -0.0142    0.0048    0.0012    0.0097
            Y     0.0029    0.0079   -0.0047    0.0113   -0.0076   -0.0077
            Z     0.0101    0.0034    0.0057   -0.0080    0.0080   -0.0022
 AT.  49 CA X     0.0000    0.0000    0.0000    0.0013    0.0014    0.0000
            Y    -0.0061    0.0161    0.0158    0.0000    0.0000    0.0078
            Z     0.0000    0.0000    0.0000   -0.0052    0.0002    0.0000
 AT.  50 CA X     0.0000    0.0000    0.0000    0.0013    0.0014    0.0000
            Y     0.0061   -0.0161    0.0158    0.0000    0.0000    0.0078
            Z     0.0000    0.0000    0.0000    0.0052   -0.0002    0.0000
 AT.  51 CA X     0.0000    0.0000    0.0000    0.0013   -0.0014    0.0000
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            Z     0.0000    0.0000    0.0000   -0.0052   -0.0002    0.0000
 AT.  52 CA X     0.0000    0.0000    0.0000    0.0013   -0.0014    0.0000
            Y    -0.0061   -0.0161   -0.0158    0.0000    0.0000    0.0078
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 AT.  53 O  X    -0.0116   -0.0031    0.0047    0.0000    0.0134   -0.0074
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            Z     0.0125    0.0051    0.0174   -0.0046   -0.0171    0.0122
 AT.  54 O  X     0.0116    0.0031    0.0047    0.0000    0.0134   -0.0074
            Y     0.0040   -0.0042    0.0026    0.0058    0.0056    0.0004
            Z     0.0125    0.0051   -0.0174    0.0046    0.0171   -0.0122
 AT.  55 O  X    -0.0116   -0.0031   -0.0047    0.0000    0.0134    0.0074
            Y     0.0040   -0.0042    0.0026   -0.0058   -0.0056    0.0004
            Z    -0.0125   -0.0051    0.0174    0.0046    0.0171    0.0122
 AT.  56 O  X     0.0116    0.0031   -0.0047    0.0000    0.0134    0.0074
            Y    -0.0040    0.0042    0.0026   -0.0058   -0.0056    0.0004
            Z    -0.0125   -0.0051   -0.0174   -0.0046   -0.0171   -0.0122
 AT.  57 O  X     0.0116   -0.0031   -0.0047    0.0000   -0.0134   -0.0074
            Y     0.0040    0.0042   -0.0026    0.0058   -0.0056    0.0004
            Z    -0.0125    0.0051   -0.0174   -0.0046    0.0171    0.0122
 AT.  58 O  X    -0.0116    0.0031   -0.0047    0.0000   -0.0134   -0.0074
            Y    -0.0040   -0.0042   -0.0026    0.0058   -0.0056    0.0004
            Z    -0.0125    0.0051    0.0174    0.0046   -0.0171   -0.0122
 AT.  59 O  X     0.0116   -0.0031    0.0047    0.0000   -0.0134    0.0074
            Y    -0.0040   -0.0042   -0.0026   -0.0058    0.0056    0.0004
            Z     0.0125   -0.0051   -0.0174    0.0046   -0.0171    0.0122
 AT.  60 O  X    -0.0116    0.0031    0.0047    0.0000   -0.0134    0.0074
            Y     0.0040    0.0042   -0.0026   -0.0058    0.0056    0.0004
            Z     0.0125   -0.0051    0.0174   -0.0046    0.0171   -0.0122
 AT.  61 O  X     0.0042   -0.0009    0.0096   -0.0048   -0.0049   -0.0018
            Y     0.0079    0.0108    0.0186   -0.0054   -0.0084    0.0142
            Z    -0.0089   -0.0055   -0.0096    0.0046    0.0029   -0.0108
 AT.  62 O  X    -0.0042    0.0009    0.0096   -0.0048   -0.0049   -0.0018
            Y    -0.0079   -0.0108    0.0186   -0.0054   -0.0084    0.0142
            Z    -0.0089   -0.0055    0.0096   -0.0046   -0.0029    0.0108
 AT.  63 O  X     0.0042   -0.0009   -0.0096   -0.0048   -0.0049    0.0018
            Y    -0.0079   -0.0108    0.0186    0.0054    0.0084    0.0142
            Z     0.0089    0.0055   -0.0096   -0.0046   -0.0029   -0.0108
 AT.  64 O  X    -0.0042    0.0009   -0.0096   -0.0048   -0.0049    0.0018
            Y     0.0079    0.0108    0.0186    0.0054    0.0084    0.0142
            Z     0.0089    0.0055    0.0096    0.0046    0.0029    0.0108
 AT.  65 O  X    -0.0042   -0.0009   -0.0096   -0.0048    0.0049   -0.0018
            Y    -0.0079    0.0108   -0.0186   -0.0054    0.0084    0.0142
            Z     0.0089   -0.0055    0.0096    0.0046   -0.0029   -0.0108
 AT.  66 O  X     0.0042    0.0009   -0.0096   -0.0048    0.0049   -0.0018
            Y     0.0079   -0.0108   -0.0186   -0.0054    0.0084    0.0142
            Z     0.0089   -0.0055   -0.0096   -0.0046    0.0029    0.0108
 AT.  67 O  X    -0.0042   -0.0009    0.0096   -0.0048    0.0049    0.0018
            Y     0.0079   -0.0108   -0.0186    0.0054   -0.0084    0.0142
            Z    -0.0089    0.0055    0.0096   -0.0046    0.0029   -0.0108
 AT.  68 O  X     0.0042    0.0009    0.0096   -0.0048    0.0049    0.0018
            Y    -0.0079    0.0108   -0.0186    0.0054   -0.0084    0.0142
            Z    -0.0089    0.0055   -0.0096    0.0046   -0.0029    0.0108
 AT.  69 O  X    -0.0073    0.0073    0.0087    0.0068    0.0004    0.0077
            Y    -0.0176   -0.0041   -0.0212    0.0138    0.0193   -0.0133
            Z    -0.0088   -0.0075   -0.0084    0.0067    0.0026   -0.0096
 AT.  70 O  X     0.0073   -0.0073    0.0087    0.0068    0.0004    0.0077
            Y     0.0176    0.0041   -0.0212    0.0138    0.0193   -0.0133
            Z    -0.0088   -0.0075    0.0084   -0.0067   -0.0026    0.0096
 AT.  71 O  X    -0.0073    0.0073   -0.0087    0.0068    0.0004   -0.0077
            Y     0.0176    0.0041   -0.0212   -0.0138   -0.0193   -0.0133
            Z     0.0088    0.0075   -0.0084   -0.0067   -0.0026   -0.0096
 AT.  72 O  X     0.0073   -0.0073   -0.0087    0.0068    0.0004   -0.0077
            Y    -0.0176   -0.0041   -0.0212   -0.0138   -0.0193   -0.0133
            Z     0.0088    0.0075    0.0084    0.0067    0.0026    0.0096
 AT.  73 O  X     0.0073    0.0073   -0.0087    0.0068   -0.0004    0.0077
            Y     0.0176   -0.0041    0.0212    0.0138   -0.0193   -0.0133
            Z     0.0088   -0.0075    0.0084    0.0067   -0.0026   -0.0096
 AT.  74 O  X    -0.0073   -0.0073   -0.0087    0.0068   -0.0004    0.0077
            Y    -0.0176    0.0041    0.0212    0.0138   -0.0193   -0.0133
            Z     0.0088   -0.0075   -0.0084   -0.0067    0.0026    0.0096
 AT.  75 O  X     0.0073    0.0073    0.0087    0.0068   -0.0004   -0.0077
            Y    -0.0176    0.0041    0.0212   -0.0138    0.0193   -0.0133
            Z    -0.0088    0.0075    0.0084   -0.0067    0.0026   -0.0096
 AT.  76 O  X    -0.0073   -0.0073    0.0087    0.0068   -0.0004   -0.0077
            Y     0.0176   -0.0041    0.0212   -0.0138    0.0193   -0.0133
            Z    -0.0088    0.0075   -0.0084    0.0067   -0.0026    0.0096
 AT.  77 O  X    -0.0053   -0.0010    0.0092    0.0003    0.0040   -0.0003
            Y    -0.0153   -0.0055    0.0023   -0.0012    0.0239   -0.0231
            Z    -0.0161    0.0097   -0.0002    0.0148    0.0066    0.0067
 AT.  78 O  X     0.0053    0.0010    0.0092    0.0003    0.0040   -0.0003
            Y     0.0153    0.0055    0.0023   -0.0012    0.0239   -0.0231
            Z    -0.0161    0.0097    0.0002   -0.0148   -0.0066   -0.0067
 AT.  79 O  X    -0.0053   -0.0010   -0.0092    0.0003    0.0040    0.0003
            Y     0.0153    0.0055    0.0023    0.0012   -0.0239   -0.0231
            Z     0.0161   -0.0097   -0.0002   -0.0148   -0.0066    0.0067
 AT.  80 O  X     0.0053    0.0010   -0.0092    0.0003    0.0040    0.0003
            Y    -0.0153   -0.0055    0.0023    0.0012   -0.0239   -0.0231
            Z     0.0161   -0.0097    0.0002    0.0148    0.0066   -0.0067
 AT.  81 O  X     0.0053   -0.0010   -0.0092    0.0003   -0.0040   -0.0003
            Y     0.0153   -0.0055   -0.0023   -0.0012   -0.0239   -0.0231
            Z     0.0161    0.0097    0.0002    0.0148   -0.0066    0.0067
 AT.  82 O  X    -0.0053    0.0010   -0.0092    0.0003   -0.0040   -0.0003
            Y    -0.0153    0.0055   -0.0023   -0.0012   -0.0239   -0.0231
            Z     0.0161    0.0097   -0.0002   -0.0148    0.0066   -0.0067
 AT.  83 O  X     0.0053   -0.0010    0.0092    0.0003   -0.0040    0.0003
            Y    -0.0153    0.0055   -0.0023    0.0012    0.0239   -0.0231
            Z    -0.0161   -0.0097    0.0002   -0.0148    0.0066    0.0067
 AT.  84 O  X    -0.0053    0.0010    0.0092    0.0003   -0.0040    0.0003
            Y     0.0153   -0.0055   -0.0023    0.0012    0.0239   -0.0231
            Z    -0.0161   -0.0097   -0.0002    0.0148   -0.0066   -0.0067
 AT.  85 O  X    -0.0057    0.0098   -0.0007   -0.0001   -0.0023   -0.0049
            Y    -0.0115    0.0065    0.0022   -0.0001    0.0048   -0.0080
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 AT.  86 O  X     0.0057   -0.0098   -0.0007   -0.0001   -0.0023   -0.0049
            Y     0.0115   -0.0065    0.0022   -0.0001    0.0048   -0.0080
            Z     0.0050   -0.0046    0.0018    0.0007   -0.0016   -0.0039
 AT.  87 O  X    -0.0057    0.0098    0.0007   -0.0001   -0.0023    0.0049
            Y     0.0115   -0.0065    0.0022    0.0001   -0.0048   -0.0080
            Z    -0.0050    0.0046   -0.0018    0.0007   -0.0016    0.0039
 AT.  88 O  X     0.0057   -0.0098    0.0007   -0.0001   -0.0023    0.0049
            Y    -0.0115    0.0065    0.0022    0.0001   -0.0048   -0.0080
            Z    -0.0050    0.0046    0.0018   -0.0007    0.0016   -0.0039
 AT.  89 O  X     0.0057    0.0098    0.0007   -0.0001    0.0023   -0.0049
            Y     0.0115    0.0065   -0.0022   -0.0001   -0.0048   -0.0080
            Z    -0.0050   -0.0046    0.0018   -0.0007   -0.0016    0.0039
 AT.  90 O  X    -0.0057   -0.0098    0.0007   -0.0001    0.0023   -0.0049
            Y    -0.0115   -0.0065   -0.0022   -0.0001   -0.0048   -0.0080
            Z    -0.0050   -0.0046   -0.0018    0.0007    0.0016   -0.0039
 AT.  91 O  X     0.0057    0.0098   -0.0007   -0.0001    0.0023    0.0049
            Y    -0.0115   -0.0065   -0.0022    0.0001    0.0048   -0.0080
            Z     0.0050    0.0046    0.0018    0.0007    0.0016    0.0039
 AT.  92 O  X    -0.0057   -0.0098   -0.0007   -0.0001    0.0023    0.0049
            Y     0.0115    0.0065   -0.0022    0.0001    0.0048   -0.0080
            Z     0.0050    0.0046   -0.0018   -0.0007   -0.0016   -0.0039
 AT.  93 O  X     0.0083   -0.0057   -0.0014    0.0035   -0.0045    0.0034
            Y     0.0009    0.0043    0.0039    0.0018   -0.0017   -0.0008
            Z    -0.0097   -0.0021   -0.0050   -0.0103    0.0114   -0.0036
 AT.  94 O  X    -0.0083    0.0057   -0.0014    0.0035   -0.0045    0.0034
            Y    -0.0009   -0.0043    0.0039    0.0018   -0.0017   -0.0008
            Z    -0.0097   -0.0021    0.0050    0.0103   -0.0114    0.0036
 AT.  95 O  X     0.0083   -0.0057    0.0014    0.0035   -0.0045   -0.0034
            Y    -0.0009   -0.0043    0.0039   -0.0018    0.0017   -0.0008
            Z     0.0097    0.0021   -0.0050    0.0103   -0.0114   -0.0036
 AT.  96 O  X    -0.0083    0.0057    0.0014    0.0035   -0.0045   -0.0034
            Y     0.0009    0.0043    0.0039   -0.0018    0.0017   -0.0008
            Z     0.0097    0.0021    0.0050   -0.0103    0.0114    0.0036
 AT.  97 O  X    -0.0083   -0.0057    0.0014    0.0035    0.0045    0.0034
            Y    -0.0009    0.0043   -0.0039    0.0018    0.0017   -0.0008
            Z     0.0097   -0.0021    0.0050   -0.0103   -0.0114   -0.0036
 AT.  98 O  X     0.0083    0.0057    0.0014    0.0035    0.0045    0.0034
            Y     0.0009   -0.0043   -0.0039    0.0018    0.0017   -0.0008
            Z     0.0097   -0.0021   -0.0050    0.0103    0.0114    0.0036
 AT.  99 O  X    -0.0083   -0.0057   -0.0014    0.0035    0.0045   -0.0034
            Y     0.0009   -0.0043   -0.0039   -0.0018   -0.0017   -0.0008
            Z    -0.0097    0.0021    0.0050    0.0103    0.0114   -0.0036
 AT. 100 O  X     0.0083    0.0057   -0.0014    0.0035    0.0045   -0.0034
            Y    -0.0009    0.0043   -0.0039   -0.0018   -0.0017   -0.0008
            Z    -0.0097    0.0021   -0.0050   -0.0103   -0.0114    0.0036
 AT. 101 O  X     0.0039    0.0017   -0.0014   -0.0158    0.0037    0.0015
            Y     0.0031    0.0026   -0.0017    0.0087   -0.0028   -0.0002
            Z     0.0038    0.0012    0.0004    0.0019   -0.0006   -0.0001
 AT. 102 O  X    -0.0039   -0.0017   -0.0014   -0.0158    0.0037    0.0015
            Y    -0.0031   -0.0026   -0.0017    0.0087   -0.0028   -0.0002
            Z     0.0038    0.0012   -0.0004   -0.0019    0.0006    0.0001
 AT. 103 O  X     0.0039    0.0017    0.0014   -0.0158    0.0037   -0.0015
            Y    -0.0031   -0.0026   -0.0017   -0.0087    0.0028   -0.0002
            Z    -0.0038   -0.0012    0.0004   -0.0019    0.0006   -0.0001
 AT. 104 O  X    -0.0039   -0.0017    0.0014   -0.0158    0.0037   -0.0015
            Y     0.0031    0.0026   -0.0017   -0.0087    0.0028   -0.0002
            Z    -0.0038   -0.0012   -0.0004    0.0019   -0.0006    0.0001
 AT. 105 O  X    -0.0039    0.0017    0.0014   -0.0158   -0.0037    0.0015
            Y    -0.0031    0.0026    0.0017    0.0087    0.0028   -0.0002
            Z    -0.0038    0.0012   -0.0004    0.0019    0.0006   -0.0001
 AT. 106 O  X     0.0039   -0.0017    0.0014   -0.0158   -0.0037    0.0015
            Y     0.0031   -0.0026    0.0017    0.0087    0.0028   -0.0002
            Z    -0.0038    0.0012    0.0004   -0.0019   -0.0006    0.0001
 AT. 107 O  X    -0.0039    0.0017   -0.0014   -0.0158   -0.0037   -0.0015
            Y     0.0031   -0.0026    0.0017   -0.0087   -0.0028   -0.0002
            Z     0.0038   -0.0012   -0.0004   -0.0019   -0.0006   -0.0001
 AT. 108 O  X     0.0039   -0.0017   -0.0014   -0.0158   -0.0037   -0.0015
            Y    -0.0031    0.0026    0.0017   -0.0087   -0.0028   -0.0002
            Z     0.0038   -0.0012    0.0004    0.0019    0.0006    0.0001
 AT. 109 O  X     0.0042    0.0012   -0.0021   -0.0024   -0.0038    0.0014
            Y     0.0110   -0.0031    0.0082    0.0096   -0.0015    0.0062
            Z     0.0185   -0.0145   -0.0014   -0.0095    0.0002    0.0135
 AT. 110 O  X    -0.0042   -0.0012   -0.0021   -0.0024   -0.0038    0.0014
            Y    -0.0110    0.0031    0.0082    0.0096   -0.0015    0.0062
            Z     0.0185   -0.0145    0.0014    0.0095   -0.0002   -0.0135
 AT. 111 O  X     0.0042    0.0012    0.0021   -0.0024   -0.0038   -0.0014
            Y    -0.0110    0.0031    0.0082   -0.0096    0.0015    0.0062
            Z    -0.0185    0.0145   -0.0014    0.0095   -0.0002    0.0135
 AT. 112 O  X    -0.0042   -0.0012    0.0021   -0.0024   -0.0038   -0.0014
            Y     0.0110   -0.0031    0.0082   -0.0096    0.0015    0.0062
            Z    -0.0185    0.0145    0.0014   -0.0095    0.0002   -0.0135
 AT. 113 O  X    -0.0042    0.0012    0.0021   -0.0024    0.0038    0.0014
            Y    -0.0110   -0.0031   -0.0082    0.0096    0.0015    0.0062
            Z    -0.0185   -0.0145    0.0014   -0.0095   -0.0002    0.0135
 AT. 114 O  X     0.0042   -0.0012    0.0021   -0.0024    0.0038    0.0014
            Y     0.0110    0.0031   -0.0082    0.0096    0.0015    0.0062
            Z    -0.0185   -0.0145   -0.0014    0.0095    0.0002   -0.0135
 AT. 115 O  X    -0.0042    0.0012   -0.0021   -0.0024    0.0038   -0.0014
            Y     0.0110    0.0031   -0.0082   -0.0096   -0.0015    0.0062
            Z     0.0185    0.0145    0.0014    0.0095    0.0002    0.0135
 AT. 116 O  X     0.0042   -0.0012   -0.0021   -0.0024    0.0038   -0.0014
            Y    -0.0110   -0.0031   -0.0082   -0.0096   -0.0015    0.0062
            Z     0.0185    0.0145   -0.0014   -0.0095   -0.0002   -0.0135
 AT. 117 O  X    -0.0052    0.0200    0.0131   -0.0025    0.0038   -0.0120
            Y    -0.0001   -0.0020   -0.0057   -0.0038    0.0026    0.0008
            Z     0.0095   -0.0184   -0.0166    0.0020   -0.0041    0.0154
 AT. 118 O  X     0.0052   -0.0200    0.0131   -0.0025    0.0038   -0.0120
            Y     0.0001    0.0020   -0.0057   -0.0038    0.0026    0.0008
            Z     0.0095   -0.0184    0.0166   -0.0020    0.0041   -0.0154
 AT. 119 O  X    -0.0052    0.0200   -0.0131   -0.0025    0.0038    0.0120
            Y     0.0001    0.0020   -0.0057    0.0038   -0.0026    0.0008
            Z    -0.0095    0.0184   -0.0166   -0.0020    0.0041    0.0154
 AT. 120 O  X     0.0052   -0.0200   -0.0131   -0.0025    0.0038    0.0120
            Y    -0.0001   -0.0020   -0.0057    0.0038   -0.0026    0.0008
            Z    -0.0095    0.0184    0.0166    0.0020   -0.0041   -0.0154
 AT. 121 O  X     0.0052    0.0200   -0.0131   -0.0025   -0.0038   -0.0120
            Y     0.0001   -0.0020    0.0057   -0.0038   -0.0026    0.0008
            Z    -0.0095   -0.0184    0.0166    0.0020    0.0041    0.0154
 AT. 122 O  X    -0.0052   -0.0200   -0.0131   -0.0025   -0.0038   -0.0120
            Y    -0.0001    0.0020    0.0057   -0.0038   -0.0026    0.0008
            Z    -0.0095   -0.0184   -0.0166   -0.0020   -0.0041   -0.0154
 AT. 123 O  X     0.0052    0.0200    0.0131   -0.0025   -0.0038    0.0120
            Y    -0.0001    0.0020    0.0057    0.0038    0.0026    0.0008
            Z     0.0095    0.0184    0.0166   -0.0020   -0.0041    0.0154
 AT. 124 O  X    -0.0052   -0.0200    0.0131   -0.0025   -0.0038    0.0120
            Y     0.0001   -0.0020    0.0057    0.0038    0.0026    0.0008
            Z     0.0095    0.0184   -0.0166    0.0020    0.0041   -0.0154

 FREQ(CM**-1)    247.84    249.97    250.22    253.54    253.95    254.35

 AT.   1 SI X     0.0026   -0.0055    0.0023    0.0045   -0.0008    0.0033
            Y    -0.0025   -0.0029    0.0067    0.0060    0.0017    0.0014
            Z    -0.0090    0.0043   -0.0034    0.0005   -0.0002    0.0051
 AT.   2 SI X    -0.0026   -0.0055   -0.0023   -0.0045    0.0008    0.0033
            Y     0.0025   -0.0029   -0.0067   -0.0060   -0.0017    0.0014
            Z    -0.0090   -0.0043   -0.0034    0.0005   -0.0002   -0.0051
 AT.   3 SI X    -0.0026   -0.0055    0.0023   -0.0045    0.0008   -0.0033
            Y    -0.0025    0.0029   -0.0067    0.0060    0.0017    0.0014
            Z    -0.0090   -0.0043    0.0034    0.0005   -0.0002    0.0051
 AT.   4 SI X     0.0026   -0.0055   -0.0023    0.0045   -0.0008   -0.0033
            Y     0.0025    0.0029    0.0067   -0.0060   -0.0017    0.0014
            Z    -0.0090    0.0043    0.0034    0.0005   -0.0002   -0.0051
 AT.   5 SI X    -0.0026    0.0055    0.0023   -0.0045   -0.0008   -0.0033
            Y     0.0025    0.0029    0.0067   -0.0060    0.0017   -0.0014
            Z     0.0090   -0.0043   -0.0034   -0.0005   -0.0002   -0.0051
 AT.   6 SI X     0.0026    0.0055   -0.0023    0.0045    0.0008   -0.0033
            Y    -0.0025    0.0029   -0.0067    0.0060   -0.0017   -0.0014
            Z     0.0090    0.0043   -0.0034   -0.0005   -0.0002    0.0051
 AT.   7 SI X     0.0026    0.0055    0.0023    0.0045    0.0008    0.0033
            Y     0.0025   -0.0029   -0.0067   -0.0060    0.0017   -0.0014
            Z     0.0090    0.0043    0.0034   -0.0005   -0.0002   -0.0051
 AT.   8 SI X    -0.0026    0.0055   -0.0023   -0.0045   -0.0008    0.0033
            Y    -0.0025   -0.0029    0.0067    0.0060   -0.0017   -0.0014
            Z     0.0090   -0.0043    0.0034   -0.0005   -0.0002    0.0051
 AT.   9 SI X    -0.0074    0.0083   -0.0071    0.0020    0.0026   -0.0067
            Y     0.0052    0.0013   -0.0029    0.0040   -0.0018    0.0002
            Z    -0.0019   -0.0006   -0.0007    0.0062    0.0026   -0.0041
 AT.  10 SI X     0.0074    0.0083    0.0071   -0.0020   -0.0026   -0.0067
            Y    -0.0052    0.0013    0.0029   -0.0040    0.0018    0.0002
            Z    -0.0019    0.0006   -0.0007    0.0062    0.0026    0.0041
 AT.  11 SI X     0.0074    0.0083   -0.0071   -0.0020   -0.0026    0.0067
            Y     0.0052   -0.0013    0.0029    0.0040   -0.0018    0.0002
            Z    -0.0019    0.0006    0.0007    0.0062    0.0026   -0.0041
 AT.  12 SI X    -0.0074    0.0083    0.0071    0.0020    0.0026    0.0067
            Y    -0.0052   -0.0013   -0.0029   -0.0040    0.0018    0.0002
            Z    -0.0019   -0.0006    0.0007    0.0062    0.0026    0.0041
 AT.  13 SI X     0.0074   -0.0083   -0.0071   -0.0020    0.0026    0.0067
            Y    -0.0052   -0.0013   -0.0029   -0.0040   -0.0018   -0.0002
            Z     0.0019    0.0006   -0.0007   -0.0062    0.0026    0.0041
 AT.  14 SI X    -0.0074   -0.0083    0.0071    0.0020   -0.0026    0.0067
            Y     0.0052   -0.0013    0.0029    0.0040    0.0018   -0.0002
            Z     0.0019   -0.0006   -0.0007   -0.0062    0.0026   -0.0041
 AT.  15 SI X    -0.0074   -0.0083   -0.0071    0.0020   -0.0026   -0.0067
            Y    -0.0052    0.0013    0.0029   -0.0040   -0.0018   -0.0002
            Z     0.0019   -0.0006    0.0007   -0.0062    0.0026    0.0041
 AT.  16 SI X     0.0074   -0.0083    0.0071   -0.0020    0.0026   -0.0067
            Y     0.0052    0.0013   -0.0029    0.0040    0.0018   -0.0002
            Z     0.0019    0.0006    0.0007   -0.0062    0.0026   -0.0041
 AT.  17 SI X     0.0015   -0.0040    0.0000   -0.0001    0.0014    0.0000
            Y     0.0000    0.0000   -0.0073    0.0000    0.0000   -0.0012
            Z     0.0069    0.0034    0.0000    0.0058    0.0013    0.0000
 AT.  18 SI X    -0.0015   -0.0040    0.0000    0.0001   -0.0014    0.0000
            Y     0.0000    0.0000    0.0073    0.0000    0.0000   -0.0012
            Z     0.0069   -0.0034    0.0000    0.0058    0.0013    0.0000
 AT.  19 SI X    -0.0015    0.0040    0.0000    0.0001    0.0014    0.0000
            Y     0.0000    0.0000   -0.0073    0.0000    0.0000    0.0012
            Z    -0.0069   -0.0034    0.0000   -0.0058    0.0013    0.0000
 AT.  20 SI X     0.0015    0.0040    0.0000   -0.0001   -0.0014    0.0000
            Y     0.0000    0.0000    0.0073    0.0000    0.0000    0.0012
            Z    -0.0069    0.0034    0.0000   -0.0058    0.0013    0.0000
 AT.  21 CA X    -0.0035   -0.0062    0.0059    0.0025   -0.0053   -0.0029
            Y     0.0179    0.0059    0.0126    0.0008   -0.0174    0.0114
            Z    -0.0080    0.0015    0.0044   -0.0147   -0.0006    0.0061
 AT.  22 CA X     0.0035   -0.0062   -0.0059   -0.0025    0.0053   -0.0029
            Y    -0.0179    0.0059   -0.0126   -0.0008    0.0174    0.0114
            Z    -0.0080   -0.0015    0.0044   -0.0147   -0.0006   -0.0061
 AT.  23 CA X     0.0035   -0.0062    0.0059   -0.0025    0.0053    0.0029
            Y     0.0179   -0.0059   -0.0126    0.0008   -0.0174    0.0114
            Z    -0.0080   -0.0015   -0.0044   -0.0147   -0.0006    0.0061
 AT.  24 CA X    -0.0035   -0.0062   -0.0059    0.0025   -0.0053    0.0029
            Y    -0.0179   -0.0059    0.0126   -0.0008    0.0174    0.0114
            Z    -0.0080    0.0015   -0.0044   -0.0147   -0.0006   -0.0061
 AT.  25 CA X     0.0035    0.0062    0.0059   -0.0025   -0.0053    0.0029
            Y    -0.0179   -0.0059    0.0126   -0.0008   -0.0174   -0.0114
            Z     0.0080   -0.0015    0.0044    0.0147   -0.0006   -0.0061
 AT.  26 CA X    -0.0035    0.0062   -0.0059    0.0025    0.0053    0.0029
            Y     0.0179   -0.0059   -0.0126    0.0008    0.0174   -0.0114
            Z     0.0080    0.0015    0.0044    0.0147   -0.0006    0.0061
 AT.  27 CA X    -0.0035    0.0062    0.0059    0.0025    0.0053   -0.0029
            Y    -0.0179    0.0059   -0.0126   -0.0008   -0.0174   -0.0114
            Z     0.0080    0.0015   -0.0044    0.0147   -0.0006   -0.0061
 AT.  28 CA X     0.0035    0.0062   -0.0059   -0.0025   -0.0053   -0.0029
            Y     0.0179    0.0059    0.0126    0.0008    0.0174   -0.0114
            Z     0.0080   -0.0015   -0.0044    0.0147   -0.0006    0.0061
 AT.  29 CA X     0.0000    0.0000   -0.0144    0.0000    0.0006    0.0000
            Y     0.0000    0.0000   -0.0118    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0068    0.0000   -0.0040    0.0000
 AT.  30 CA X     0.0000    0.0000    0.0144    0.0000   -0.0006    0.0000
            Y     0.0000    0.0000    0.0118    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0068    0.0000   -0.0040    0.0000
 AT.  31 CA X     0.0000    0.0000   -0.0144    0.0000   -0.0006    0.0000
            Y     0.0000    0.0000    0.0118    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0068    0.0000   -0.0040    0.0000
 AT.  32 CA X     0.0000    0.0000    0.0144    0.0000    0.0006    0.0000
            Y     0.0000    0.0000   -0.0118    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0068    0.0000   -0.0040    0.0000
 AT.  33 CA X    -0.0014   -0.0010    0.0124   -0.0113   -0.0055    0.0056
            Y     0.0032    0.0063    0.0021   -0.0073    0.0090    0.0029
            Z     0.0008   -0.0008    0.0008   -0.0083    0.0048    0.0056
 AT.  34 CA X     0.0014   -0.0010   -0.0124    0.0113    0.0055    0.0056
            Y    -0.0032    0.0063   -0.0021    0.0073   -0.0090    0.0029
            Z     0.0008    0.0008    0.0008   -0.0083    0.0048   -0.0056
 AT.  35 CA X     0.0014   -0.0010    0.0124    0.0113    0.0055   -0.0056
            Y     0.0032   -0.0063   -0.0021   -0.0073    0.0090    0.0029
            Z     0.0008    0.0008   -0.0008   -0.0083    0.0048    0.0056
 AT.  36 CA X    -0.0014   -0.0010   -0.0124   -0.0113   -0.0055   -0.0056
            Y    -0.0032   -0.0063    0.0021    0.0073   -0.0090    0.0029
            Z     0.0008   -0.0008   -0.0008   -0.0083    0.0048   -0.0056
 AT.  37 CA X     0.0014    0.0010    0.0124    0.0113   -0.0055   -0.0056
            Y    -0.0032   -0.0063    0.0021    0.0073    0.0090   -0.0029
            Z    -0.0008    0.0008    0.0008    0.0083    0.0048   -0.0056
 AT.  38 CA X    -0.0014    0.0010   -0.0124   -0.0113    0.0055   -0.0056
            Y     0.0032   -0.0063   -0.0021   -0.0073   -0.0090   -0.0029
            Z    -0.0008   -0.0008    0.0008    0.0083    0.0048    0.0056
 AT.  39 CA X    -0.0014    0.0010    0.0124   -0.0113    0.0055    0.0056
            Y    -0.0032    0.0063   -0.0021    0.0073    0.0090   -0.0029
            Z    -0.0008   -0.0008   -0.0008    0.0083    0.0048   -0.0056
 AT.  40 CA X     0.0014    0.0010   -0.0124    0.0113   -0.0055    0.0056
            Y     0.0032    0.0063    0.0021   -0.0073   -0.0090   -0.0029
            Z    -0.0008    0.0008   -0.0008    0.0083    0.0048    0.0056
 AT.  41 CA X     0.0143    0.0038   -0.0067    0.0013    0.0015    0.0019
            Y     0.0042    0.0021   -0.0087    0.0091   -0.0032   -0.0069
            Z     0.0003   -0.0039    0.0067    0.0027   -0.0078    0.0013
 AT.  42 CA X    -0.0143    0.0038    0.0067   -0.0013   -0.0015    0.0019
            Y    -0.0042    0.0021    0.0087   -0.0091    0.0032   -0.0069
            Z     0.0003    0.0039    0.0067    0.0027   -0.0078   -0.0013
 AT.  43 CA X    -0.0143    0.0038   -0.0067   -0.0013   -0.0015   -0.0019
            Y     0.0042   -0.0021    0.0087    0.0091   -0.0032   -0.0069
            Z     0.0003    0.0039   -0.0067    0.0027   -0.0078    0.0013
 AT.  44 CA X     0.0143    0.0038    0.0067    0.0013    0.0015   -0.0019
            Y    -0.0042   -0.0021   -0.0087   -0.0091    0.0032   -0.0069
            Z     0.0003   -0.0039   -0.0067    0.0027   -0.0078   -0.0013
 AT.  45 CA X    -0.0143   -0.0038   -0.0067   -0.0013    0.0015   -0.0019
            Y    -0.0042   -0.0021   -0.0087   -0.0091   -0.0032    0.0069
            Z    -0.0003    0.0039    0.0067   -0.0027   -0.0078   -0.0013
 AT.  46 CA X     0.0143   -0.0038    0.0067    0.0013   -0.0015   -0.0019
            Y     0.0042   -0.0021    0.0087    0.0091    0.0032    0.0069
            Z    -0.0003   -0.0039    0.0067   -0.0027   -0.0078    0.0013
 AT.  47 CA X     0.0143   -0.0038   -0.0067    0.0013   -0.0015    0.0019
            Y    -0.0042    0.0021    0.0087   -0.0091   -0.0032    0.0069
            Z    -0.0003   -0.0039   -0.0067   -0.0027   -0.0078   -0.0013
 AT.  48 CA X    -0.0143   -0.0038    0.0067   -0.0013    0.0015    0.0019
            Y     0.0042    0.0021   -0.0087    0.0091    0.0032    0.0069
            Z    -0.0003    0.0039   -0.0067   -0.0027   -0.0078    0.0013
 AT.  49 CA X     0.0007   -0.0016    0.0000   -0.0002   -0.0010    0.0000
            Y     0.0000    0.0000    0.0167    0.0000    0.0000    0.0312
            Z     0.0016    0.0015    0.0000    0.0068    0.0022    0.0000
 AT.  50 CA X    -0.0007   -0.0016    0.0000    0.0002    0.0010    0.0000
            Y     0.0000    0.0000   -0.0167    0.0000    0.0000    0.0312
            Z     0.0016   -0.0015    0.0000    0.0068    0.0022    0.0000
 AT.  51 CA X    -0.0007    0.0016    0.0000    0.0002   -0.0010    0.0000
            Y     0.0000    0.0000    0.0167    0.0000    0.0000   -0.0312
            Z    -0.0016   -0.0015    0.0000   -0.0068    0.0022    0.0000
 AT.  52 CA X     0.0007    0.0016    0.0000   -0.0002    0.0010    0.0000
            Y     0.0000    0.0000   -0.0167    0.0000    0.0000   -0.0312
            Z    -0.0016    0.0015    0.0000   -0.0068    0.0022    0.0000
 AT.  53 O  X    -0.0018   -0.0049    0.0032    0.0050    0.0075    0.0009
            Y     0.0008   -0.0042    0.0058    0.0063   -0.0001    0.0024
            Z    -0.0141   -0.0149   -0.0097    0.0175   -0.0154   -0.0086
 AT.  54 O  X     0.0018   -0.0049   -0.0032   -0.0050   -0.0075    0.0009
            Y    -0.0008   -0.0042   -0.0058   -0.0063    0.0001    0.0024
            Z    -0.0141    0.0149   -0.0097    0.0175   -0.0154    0.0086
 AT.  55 O  X     0.0018   -0.0049    0.0032   -0.0050   -0.0075   -0.0009
            Y     0.0008    0.0042   -0.0058    0.0063   -0.0001    0.0024
            Z    -0.0141    0.0149    0.0097    0.0175   -0.0154   -0.0086
 AT.  56 O  X    -0.0018   -0.0049   -0.0032    0.0050    0.0075   -0.0009
            Y    -0.0008    0.0042    0.0058   -0.0063    0.0001    0.0024
            Z    -0.0141   -0.0149    0.0097    0.0175   -0.0154    0.0086
 AT.  57 O  X     0.0018    0.0049    0.0032   -0.0050    0.0075   -0.0009
            Y    -0.0008    0.0042    0.0058   -0.0063   -0.0001   -0.0024
            Z     0.0141    0.0149   -0.0097   -0.0175   -0.0154    0.0086
 AT.  58 O  X    -0.0018    0.0049   -0.0032    0.0050   -0.0075   -0.0009
            Y     0.0008    0.0042   -0.0058    0.0063    0.0001   -0.0024
            Z     0.0141   -0.0149   -0.0097   -0.0175   -0.0154   -0.0086
 AT.  59 O  X    -0.0018    0.0049    0.0032    0.0050   -0.0075    0.0009
            Y    -0.0008   -0.0042   -0.0058   -0.0063   -0.0001   -0.0024
            Z     0.0141   -0.0149    0.0097   -0.0175   -0.0154    0.0086
 AT.  60 O  X     0.0018    0.0049   -0.0032   -0.0050    0.0075    0.0009
            Y     0.0008   -0.0042    0.0058    0.0063    0.0001   -0.0024
            Z     0.0141    0.0149    0.0097   -0.0175   -0.0154   -0.0086
 AT.  61 O  X     0.0146   -0.0078    0.0015    0.0085   -0.0059    0.0024
            Y    -0.0098   -0.0178   -0.0063    0.0228   -0.0197   -0.0099
            Z     0.0001    0.0117    0.0045   -0.0089    0.0105    0.0104
 AT.  62 O  X    -0.0146   -0.0078   -0.0015   -0.0085    0.0059    0.0024
            Y     0.0098   -0.0178    0.0063   -0.0228    0.0197   -0.0099
            Z     0.0001   -0.0117    0.0045   -0.0089    0.0105   -0.0104
 AT.  63 O  X    -0.0146   -0.0078    0.0015   -0.0085    0.0059   -0.0024
            Y    -0.0098    0.0178    0.0063    0.0228   -0.0197   -0.0099
            Z     0.0001   -0.0117   -0.0045   -0.0089    0.0105    0.0104
 AT.  64 O  X     0.0146   -0.0078   -0.0015    0.0085   -0.0059   -0.0024
            Y     0.0098    0.0178   -0.0063   -0.0228    0.0197   -0.0099
            Z     0.0001    0.0117   -0.0045   -0.0089    0.0105   -0.0104
 AT.  65 O  X    -0.0146    0.0078    0.0015   -0.0085   -0.0059   -0.0024
            Y     0.0098    0.0178   -0.0063   -0.0228   -0.0197    0.0099
            Z    -0.0001   -0.0117    0.0045    0.0089    0.0105   -0.0104
 AT.  66 O  X     0.0146    0.0078   -0.0015    0.0085    0.0059   -0.0024
            Y    -0.0098    0.0178    0.0063    0.0228    0.0197    0.0099
            Z    -0.0001    0.0117    0.0045    0.0089    0.0105    0.0104
 AT.  67 O  X     0.0146    0.0078    0.0015    0.0085    0.0059    0.0024
            Y     0.0098   -0.0178    0.0063   -0.0228   -0.0197    0.0099
            Z    -0.0001    0.0117   -0.0045    0.0089    0.0105   -0.0104
 AT.  68 O  X    -0.0146    0.0078   -0.0015   -0.0085   -0.0059    0.0024
            Y    -0.0098   -0.0178   -0.0063    0.0228    0.0197    0.0099
            Z    -0.0001   -0.0117   -0.0045    0.0089    0.0105    0.0104
 AT.  69 O  X    -0.0059   -0.0042   -0.0004    0.0024   -0.0062    0.0031
            Y     0.0075    0.0176    0.0147   -0.0167    0.0187    0.0124
            Z     0.0018    0.0147    0.0043   -0.0104    0.0103    0.0115
 AT.  70 O  X     0.0059   -0.0042    0.0004   -0.0024    0.0062    0.0031
            Y    -0.0075    0.0176   -0.0147    0.0167   -0.0187    0.0124
            Z     0.0018   -0.0147    0.0043   -0.0104    0.0103   -0.0115
 AT.  71 O  X     0.0059   -0.0042   -0.0004   -0.0024    0.0062   -0.0031
            Y     0.0075   -0.0176   -0.0147   -0.0167    0.0187    0.0124
            Z     0.0018   -0.0147   -0.0043   -0.0104    0.0103    0.0115
 AT.  72 O  X    -0.0059   -0.0042    0.0004    0.0024   -0.0062   -0.0031
            Y    -0.0075   -0.0176    0.0147    0.0167   -0.0187    0.0124
            Z     0.0018    0.0147   -0.0043   -0.0104    0.0103   -0.0115
 AT.  73 O  X     0.0059    0.0042   -0.0004   -0.0024   -0.0062   -0.0031
            Y    -0.0075   -0.0176    0.0147    0.0167    0.0187   -0.0124
            Z    -0.0018   -0.0147    0.0043    0.0104    0.0103   -0.0115
 AT.  74 O  X    -0.0059    0.0042    0.0004    0.0024    0.0062   -0.0031
            Y     0.0075   -0.0176   -0.0147   -0.0167   -0.0187   -0.0124
            Z    -0.0018    0.0147    0.0043    0.0104    0.0103    0.0115
 AT.  75 O  X    -0.0059    0.0042   -0.0004    0.0024    0.0062    0.0031
            Y    -0.0075    0.0176   -0.0147    0.0167    0.0187   -0.0124
            Z    -0.0018    0.0147   -0.0043    0.0104    0.0103   -0.0115
 AT.  76 O  X     0.0059    0.0042    0.0004   -0.0024   -0.0062    0.0031
            Y     0.0075    0.0176    0.0147   -0.0167   -0.0187   -0.0124
            Z    -0.0018   -0.0147   -0.0043    0.0104    0.0103    0.0115
 AT.  77 O  X     0.0027   -0.0065    0.0023    0.0051   -0.0006    0.0034
            Y    -0.0081   -0.0114    0.0037    0.0093    0.0259   -0.0045
            Z    -0.0204    0.0059   -0.0015   -0.0052   -0.0045    0.0028
 AT.  78 O  X    -0.0027   -0.0065   -0.0023   -0.0051    0.0006    0.0034
            Y     0.0081   -0.0114   -0.0037   -0.0093   -0.0259   -0.0045
            Z    -0.0204   -0.0059   -0.0015   -0.0052   -0.0045   -0.0028
 AT.  79 O  X    -0.0027   -0.0065    0.0023   -0.0051    0.0006   -0.0034
            Y    -0.0081    0.0114   -0.0037    0.0093    0.0259   -0.0045
            Z    -0.0204   -0.0059    0.0015   -0.0052   -0.0045    0.0028
 AT.  80 O  X     0.0027   -0.0065   -0.0023    0.0051   -0.0006   -0.0034
            Y     0.0081    0.0114    0.0037   -0.0093   -0.0259   -0.0045
            Z    -0.0204    0.0059    0.0015   -0.0052   -0.0045   -0.0028
 AT.  81 O  X    -0.0027    0.0065    0.0023   -0.0051   -0.0006   -0.0034
            Y     0.0081    0.0114    0.0037   -0.0093    0.0259    0.0045
            Z     0.0204   -0.0059   -0.0015    0.0052   -0.0045   -0.0028
 AT.  82 O  X     0.0027    0.0065   -0.0023    0.0051    0.0006   -0.0034
            Y    -0.0081    0.0114   -0.0037    0.0093   -0.0259    0.0045
            Z     0.0204    0.0059   -0.0015    0.0052   -0.0045    0.0028
 AT.  83 O  X     0.0027    0.0065    0.0023    0.0051    0.0006    0.0034
            Y     0.0081   -0.0114   -0.0037   -0.0093    0.0259    0.0045
            Z     0.0204    0.0059    0.0015    0.0052   -0.0045   -0.0028
 AT.  84 O  X    -0.0027    0.0065   -0.0023   -0.0051   -0.0006    0.0034
            Y    -0.0081   -0.0114    0.0037    0.0093   -0.0259    0.0045
            Z     0.0204   -0.0059    0.0015    0.0052   -0.0045    0.0028
 AT.  85 O  X    -0.0042    0.0145   -0.0146    0.0092    0.0044   -0.0076
            Y     0.0063   -0.0101   -0.0105    0.0098   -0.0034   -0.0058
            Z     0.0000    0.0084   -0.0006    0.0042    0.0044   -0.0007
 AT.  86 O  X     0.0042    0.0145    0.0146   -0.0092   -0.0044   -0.0076
            Y    -0.0063   -0.0101    0.0105   -0.0098    0.0034   -0.0058
            Z     0.0000   -0.0084   -0.0006    0.0042    0.0044    0.0007
 AT.  87 O  X     0.0042    0.0145   -0.0146   -0.0092   -0.0044    0.0076
            Y     0.0063    0.0101    0.0105    0.0098   -0.0034   -0.0058
            Z     0.0000   -0.0084    0.0006    0.0042    0.0044   -0.0007
 AT.  88 O  X    -0.0042    0.0145    0.0146    0.0092    0.0044    0.0076
            Y    -0.0063    0.0101   -0.0105   -0.0098    0.0034   -0.0058
            Z     0.0000    0.0084    0.0006    0.0042    0.0044    0.0007
 AT.  89 O  X     0.0042   -0.0145   -0.0146   -0.0092    0.0044    0.0076
            Y    -0.0063    0.0101   -0.0105   -0.0098   -0.0034    0.0058
            Z     0.0000   -0.0084   -0.0006   -0.0042    0.0044    0.0007
 AT.  90 O  X    -0.0042   -0.0145    0.0146    0.0092   -0.0044    0.0076
            Y     0.0063    0.0101    0.0105    0.0098    0.0034    0.0058
            Z     0.0000    0.0084   -0.0006   -0.0042    0.0044   -0.0007
 AT.  91 O  X    -0.0042   -0.0145   -0.0146    0.0092   -0.0044   -0.0076
            Y    -0.0063   -0.0101    0.0105   -0.0098   -0.0034    0.0058
            Z     0.0000    0.0084    0.0006   -0.0042    0.0044    0.0007
 AT.  92 O  X     0.0042   -0.0145    0.0146   -0.0092    0.0044   -0.0076
            Y     0.0063   -0.0101   -0.0105    0.0098    0.0034    0.0058
            Z     0.0000   -0.0084    0.0006   -0.0042    0.0044   -0.0007
 AT.  93 O  X    -0.0087    0.0087   -0.0029   -0.0008    0.0029   -0.0090
            Y     0.0066    0.0017   -0.0027    0.0050   -0.0015    0.0038
            Z    -0.0099   -0.0055   -0.0163    0.0111    0.0048   -0.0189
 AT.  94 O  X     0.0087    0.0087    0.0029    0.0008   -0.0029   -0.0090
            Y    -0.0066    0.0017    0.0027   -0.0050    0.0015    0.0038
            Z    -0.0099    0.0055   -0.0163    0.0111    0.0048    0.0189
 AT.  95 O  X     0.0087    0.0087   -0.0029    0.0008   -0.0029    0.0090
            Y     0.0066   -0.0017    0.0027    0.0050   -0.0015    0.0038
            Z    -0.0099    0.0055    0.0163    0.0111    0.0048   -0.0189
 AT.  96 O  X    -0.0087    0.0087    0.0029   -0.0008    0.0029    0.0090
            Y    -0.0066   -0.0017   -0.0027   -0.0050    0.0015    0.0038
            Z    -0.0099   -0.0055    0.0163    0.0111    0.0048    0.0189
 AT.  97 O  X     0.0087   -0.0087   -0.0029    0.0008    0.0029    0.0090
            Y    -0.0066   -0.0017   -0.0027   -0.0050   -0.0015   -0.0038
            Z     0.0099    0.0055   -0.0163   -0.0111    0.0048    0.0189
 AT.  98 O  X    -0.0087   -0.0087    0.0029   -0.0008   -0.0029    0.0090
            Y     0.0066   -0.0017    0.0027    0.0050    0.0015   -0.0038
            Z     0.0099   -0.0055   -0.0163   -0.0111    0.0048   -0.0189
 AT.  99 O  X    -0.0087   -0.0087   -0.0029   -0.0008   -0.0029   -0.0090
            Y    -0.0066    0.0017    0.0027   -0.0050   -0.0015   -0.0038
            Z     0.0099   -0.0055    0.0163   -0.0111    0.0048    0.0189
 AT. 100 O  X     0.0087   -0.0087    0.0029    0.0008    0.0029   -0.0090
            Y     0.0066    0.0017   -0.0027    0.0050    0.0015   -0.0038
            Z     0.0099    0.0055    0.0163   -0.0111    0.0048   -0.0189
 AT. 101 O  X    -0.0118   -0.0071   -0.0059   -0.0004    0.0011   -0.0067
            Y     0.0109    0.0157    0.0024    0.0005    0.0048    0.0117
            Z     0.0047    0.0163    0.0001    0.0063    0.0075    0.0014
 AT. 102 O  X     0.0118   -0.0071    0.0059    0.0004   -0.0011   -0.0067
            Y    -0.0109    0.0157   -0.0024   -0.0005   -0.0048    0.0117
            Z     0.0047   -0.0163    0.0001    0.0063    0.0075   -0.0014
 AT. 103 O  X     0.0118   -0.0071   -0.0059    0.0004   -0.0011    0.0067
            Y     0.0109   -0.0157   -0.0024    0.0005    0.0048    0.0117
            Z     0.0047   -0.0163   -0.0001    0.0063    0.0075    0.0014
 AT. 104 O  X    -0.0118   -0.0071    0.0059   -0.0004    0.0011    0.0067
            Y    -0.0109   -0.0157    0.0024   -0.0005   -0.0048    0.0117
            Z     0.0047    0.0163   -0.0001    0.0063    0.0075   -0.0014
 AT. 105 O  X     0.0118    0.0071   -0.0059    0.0004    0.0011    0.0067
            Y    -0.0109   -0.0157    0.0024   -0.0005    0.0048   -0.0117
            Z    -0.0047   -0.0163    0.0001   -0.0063    0.0075   -0.0014
 AT. 106 O  X    -0.0118    0.0071    0.0059   -0.0004   -0.0011    0.0067
            Y     0.0109   -0.0157   -0.0024    0.0005   -0.0048   -0.0117
            Z    -0.0047    0.0163    0.0001   -0.0063    0.0075    0.0014
 AT. 107 O  X    -0.0118    0.0071   -0.0059   -0.0004   -0.0011   -0.0067
            Y    -0.0109    0.0157   -0.0024   -0.0005    0.0048   -0.0117
            Z    -0.0047    0.0163   -0.0001   -0.0063    0.0075   -0.0014
 AT. 108 O  X     0.0118    0.0071    0.0059    0.0004    0.0011   -0.0067
            Y     0.0109    0.0157    0.0024    0.0005   -0.0048   -0.0117
            Z    -0.0047   -0.0163   -0.0001   -0.0063    0.0075    0.0014
 AT. 109 O  X    -0.0084    0.0084   -0.0081    0.0019    0.0023   -0.0074
            Y     0.0016    0.0005    0.0095   -0.0034    0.0003    0.0063
            Z    -0.0030   -0.0206    0.0021   -0.0031   -0.0072   -0.0085
 AT. 110 O  X     0.0084    0.0084    0.0081   -0.0019   -0.0023   -0.0074
            Y    -0.0016    0.0005   -0.0095    0.0034   -0.0003    0.0063
            Z    -0.0030    0.0206    0.0021   -0.0031   -0.0072    0.0085
 AT. 111 O  X     0.0084    0.0084   -0.0081   -0.0019   -0.0023    0.0074
            Y     0.0016   -0.0005   -0.0095   -0.0034    0.0003    0.0063
            Z    -0.0030    0.0206   -0.0021   -0.0031   -0.0072   -0.0085
 AT. 112 O  X    -0.0084    0.0084    0.0081    0.0019    0.0023    0.0074
            Y    -0.0016   -0.0005    0.0095    0.0034   -0.0003    0.0063
            Z    -0.0030   -0.0206   -0.0021   -0.0031   -0.0072    0.0085
 AT. 113 O  X     0.0084   -0.0084   -0.0081   -0.0019    0.0023    0.0074
            Y    -0.0016   -0.0005    0.0095    0.0034    0.0003   -0.0063
            Z     0.0030    0.0206    0.0021    0.0031   -0.0072    0.0085
 AT. 114 O  X    -0.0084   -0.0084    0.0081    0.0019   -0.0023    0.0074
            Y     0.0016   -0.0005   -0.0095   -0.0034   -0.0003   -0.0063
            Z     0.0030   -0.0206    0.0021    0.0031   -0.0072   -0.0085
 AT. 115 O  X    -0.0084   -0.0084   -0.0081    0.0019   -0.0023   -0.0074
            Y    -0.0016    0.0005   -0.0095    0.0034    0.0003   -0.0063
            Z     0.0030   -0.0206   -0.0021    0.0031   -0.0072    0.0085
 AT. 116 O  X     0.0084   -0.0084    0.0081   -0.0019    0.0023   -0.0074
            Y     0.0016    0.0005    0.0095   -0.0034   -0.0003   -0.0063
            Z     0.0030    0.0206   -0.0021    0.0031   -0.0072   -0.0085
 AT. 117 O  X     0.0034   -0.0008    0.0019   -0.0002    0.0019    0.0033
            Y    -0.0050    0.0062   -0.0012    0.0003    0.0056    0.0014
            Z     0.0094   -0.0044   -0.0078    0.0048   -0.0044   -0.0052
 AT. 118 O  X    -0.0034   -0.0008   -0.0019    0.0002   -0.0019    0.0033
            Y     0.0050    0.0062    0.0012   -0.0003   -0.0056    0.0014
            Z     0.0094    0.0044   -0.0078    0.0048   -0.0044    0.0052
 AT. 119 O  X    -0.0034   -0.0008    0.0019    0.0002   -0.0019   -0.0033
            Y    -0.0050   -0.0062    0.0012    0.0003    0.0056    0.0014
            Z     0.0094    0.0044    0.0078    0.0048   -0.0044   -0.0052
 AT. 120 O  X     0.0034   -0.0008   -0.0019   -0.0002    0.0019   -0.0033
            Y     0.0050   -0.0062   -0.0012   -0.0003   -0.0056    0.0014
            Z     0.0094   -0.0044    0.0078    0.0048   -0.0044    0.0052
 AT. 121 O  X    -0.0034    0.0008    0.0019    0.0002    0.0019   -0.0033
            Y     0.0050   -0.0062   -0.0012   -0.0003    0.0056   -0.0014
            Z    -0.0094    0.0044   -0.0078   -0.0048   -0.0044    0.0052
 AT. 122 O  X     0.0034    0.0008   -0.0019   -0.0002   -0.0019   -0.0033
            Y    -0.0050   -0.0062    0.0012    0.0003   -0.0056   -0.0014
            Z    -0.0094   -0.0044   -0.0078   -0.0048   -0.0044   -0.0052
 AT. 123 O  X     0.0034    0.0008    0.0019   -0.0002   -0.0019    0.0033
            Y     0.0050    0.0062    0.0012   -0.0003    0.0056   -0.0014
            Z    -0.0094   -0.0044    0.0078   -0.0048   -0.0044    0.0052
 AT. 124 O  X    -0.0034    0.0008   -0.0019    0.0002    0.0019    0.0033
            Y    -0.0050    0.0062   -0.0012    0.0003   -0.0056   -0.0014
            Z    -0.0094    0.0044    0.0078   -0.0048   -0.0044   -0.0052

 FREQ(CM**-1)    256.84    257.14    258.47    259.18    259.21    259.51

 AT.   1 SI X    -0.0005   -0.0042   -0.0010   -0.0012    0.0025   -0.0025
            Y    -0.0136   -0.0071   -0.0079    0.0129   -0.0037    0.0061
            Z     0.0065   -0.0023    0.0058   -0.0047    0.0018   -0.0061
 AT.   2 SI X    -0.0005   -0.0042   -0.0010    0.0012    0.0025    0.0025
            Y    -0.0136   -0.0071   -0.0079   -0.0129   -0.0037   -0.0061
            Z    -0.0065    0.0023   -0.0058   -0.0047   -0.0018   -0.0061
 AT.   3 SI X    -0.0005    0.0042   -0.0010   -0.0012   -0.0025   -0.0025
            Y     0.0136   -0.0071    0.0079   -0.0129   -0.0037   -0.0061
            Z    -0.0065   -0.0023   -0.0058    0.0047    0.0018    0.0061
 AT.   4 SI X    -0.0005    0.0042   -0.0010    0.0012   -0.0025    0.0025
            Y     0.0136   -0.0071    0.0079    0.0129   -0.0037    0.0061
            Z     0.0065    0.0023    0.0058    0.0047   -0.0018    0.0061
 AT.   5 SI X    -0.0005    0.0042   -0.0010   -0.0012    0.0025    0.0025
            Y    -0.0136    0.0071   -0.0079    0.0129   -0.0037   -0.0061
            Z     0.0065    0.0023    0.0058   -0.0047    0.0018    0.0061
 AT.   6 SI X    -0.0005    0.0042   -0.0010    0.0012    0.0025   -0.0025
            Y    -0.0136    0.0071   -0.0079   -0.0129   -0.0037    0.0061
            Z    -0.0065   -0.0023   -0.0058   -0.0047   -0.0018    0.0061
 AT.   7 SI X    -0.0005   -0.0042   -0.0010   -0.0012   -0.0025    0.0025
            Y     0.0136    0.0071    0.0079   -0.0129   -0.0037    0.0061
            Z    -0.0065    0.0023   -0.0058    0.0047    0.0018   -0.0061
 AT.   8 SI X    -0.0005   -0.0042   -0.0010    0.0012   -0.0025   -0.0025
            Y     0.0136    0.0071    0.0079    0.0129   -0.0037   -0.0061
            Z     0.0065   -0.0023    0.0058    0.0047   -0.0018   -0.0061
 AT.   9 SI X    -0.0002    0.0068    0.0095   -0.0044    0.0028    0.0000
            Y    -0.0034   -0.0083    0.0002    0.0062    0.0073   -0.0047
            Z    -0.0074   -0.0044   -0.0014    0.0038   -0.0017    0.0040
 AT.  10 SI X    -0.0002    0.0068    0.0095    0.0044    0.0028    0.0000
            Y    -0.0034   -0.0083    0.0002   -0.0062    0.0073    0.0047
            Z     0.0074    0.0044    0.0014    0.0038    0.0017    0.0040
 AT.  11 SI X    -0.0002   -0.0068    0.0095   -0.0044   -0.0028    0.0000
            Y     0.0034   -0.0083   -0.0002   -0.0062    0.0073    0.0047
            Z     0.0074   -0.0044    0.0014   -0.0038   -0.0017   -0.0040
 AT.  12 SI X    -0.0002   -0.0068    0.0095    0.0044   -0.0028    0.0000
            Y     0.0034   -0.0083   -0.0002    0.0062    0.0073   -0.0047
            Z    -0.0074    0.0044   -0.0014   -0.0038    0.0017   -0.0040
 AT.  13 SI X    -0.0002   -0.0068    0.0095   -0.0044    0.0028    0.0000
            Y    -0.0034    0.0083    0.0002    0.0062    0.0073    0.0047
            Z    -0.0074    0.0044   -0.0014    0.0038   -0.0017   -0.0040
 AT.  14 SI X    -0.0002   -0.0068    0.0095    0.0044    0.0028    0.0000
            Y    -0.0034    0.0083    0.0002   -0.0062    0.0073   -0.0047
            Z     0.0074   -0.0044    0.0014    0.0038    0.0017   -0.0040
 AT.  15 SI X    -0.0002    0.0068    0.0095   -0.0044   -0.0028    0.0000
            Y     0.0034    0.0083   -0.0002   -0.0062    0.0073   -0.0047
            Z     0.0074    0.0044    0.0014   -0.0038   -0.0017    0.0040
 AT.  16 SI X    -0.0002    0.0068    0.0095    0.0044   -0.0028    0.0000
            Y     0.0034    0.0083   -0.0002    0.0062    0.0073    0.0047
            Z    -0.0074   -0.0044   -0.0014   -0.0038    0.0017    0.0040
 AT.  17 SI X    -0.0001    0.0000   -0.0051    0.0000    0.0000    0.0000
            Y     0.0000   -0.0067    0.0000    0.0057    0.0059    0.0018
            Z    -0.0074    0.0000    0.0047    0.0000    0.0000    0.0000
 AT.  18 SI X    -0.0001    0.0000   -0.0051    0.0000    0.0000    0.0000
            Y     0.0000   -0.0067    0.0000   -0.0057    0.0059   -0.0018
            Z     0.0074    0.0000   -0.0047    0.0000    0.0000    0.0000
 AT.  19 SI X    -0.0001    0.0000   -0.0051    0.0000    0.0000    0.0000
            Y     0.0000    0.0067    0.0000    0.0057    0.0059   -0.0018
            Z    -0.0074    0.0000    0.0047    0.0000    0.0000    0.0000
 AT.  20 SI X    -0.0001    0.0000   -0.0051    0.0000    0.0000    0.0000
            Y     0.0000    0.0067    0.0000   -0.0057    0.0059    0.0018
            Z     0.0074    0.0000   -0.0047    0.0000    0.0000    0.0000
 AT.  21 CA X    -0.0046   -0.0002   -0.0045    0.0070    0.0015   -0.0076
            Y    -0.0066   -0.0061    0.0002    0.0062   -0.0033   -0.0158
            Z     0.0122    0.0028   -0.0034   -0.0054   -0.0019    0.0020
 AT.  22 CA X    -0.0046   -0.0002   -0.0045   -0.0070    0.0015    0.0076
            Y    -0.0066   -0.0061    0.0002   -0.0062   -0.0033    0.0158
            Z    -0.0122   -0.0028    0.0034   -0.0054    0.0019    0.0020
 AT.  23 CA X    -0.0046    0.0002   -0.0045    0.0070   -0.0015   -0.0076
            Y     0.0066   -0.0061   -0.0002   -0.0062   -0.0033    0.0158
            Z    -0.0122    0.0028    0.0034    0.0054   -0.0019   -0.0020
 AT.  24 CA X    -0.0046    0.0002   -0.0045   -0.0070   -0.0015    0.0076
            Y     0.0066   -0.0061   -0.0002    0.0062   -0.0033   -0.0158
            Z     0.0122   -0.0028   -0.0034    0.0054    0.0019   -0.0020
 AT.  25 CA X    -0.0046    0.0002   -0.0045    0.0070    0.0015    0.0076
            Y    -0.0066    0.0061    0.0002    0.0062   -0.0033    0.0158
            Z     0.0122   -0.0028   -0.0034   -0.0054   -0.0019   -0.0020
 AT.  26 CA X    -0.0046    0.0002   -0.0045   -0.0070    0.0015   -0.0076
            Y    -0.0066    0.0061    0.0002   -0.0062   -0.0033   -0.0158
            Z    -0.0122    0.0028    0.0034   -0.0054    0.0019   -0.0020
 AT.  27 CA X    -0.0046   -0.0002   -0.0045    0.0070   -0.0015    0.0076
            Y     0.0066    0.0061   -0.0002   -0.0062   -0.0033   -0.0158
            Z    -0.0122   -0.0028    0.0034    0.0054   -0.0019    0.0020
 AT.  28 CA X    -0.0046   -0.0002   -0.0045   -0.0070   -0.0015   -0.0076
            Y     0.0066    0.0061   -0.0002    0.0062   -0.0033    0.0158
            Z     0.0122    0.0028   -0.0034    0.0054    0.0019    0.0020
 AT.  29 CA X     0.0074    0.0000    0.0006   -0.0030   -0.0070    0.0000
            Y     0.0077    0.0000    0.0114   -0.0118    0.0118    0.0000
            Z    -0.0149    0.0000   -0.0032    0.0081    0.0095    0.0000
 AT.  30 CA X     0.0074    0.0000    0.0006    0.0030   -0.0070    0.0000
            Y     0.0077    0.0000    0.0114    0.0118    0.0118    0.0000
            Z     0.0149    0.0000    0.0032    0.0081   -0.0095    0.0000
 AT.  31 CA X     0.0074    0.0000    0.0006   -0.0030    0.0070    0.0000
            Y    -0.0077    0.0000   -0.0114    0.0118    0.0118    0.0000
            Z     0.0149    0.0000    0.0032   -0.0081    0.0095    0.0000
 AT.  32 CA X     0.0074    0.0000    0.0006    0.0030    0.0070    0.0000
            Y    -0.0077    0.0000   -0.0114   -0.0118    0.0118    0.0000
            Z    -0.0149    0.0000   -0.0032   -0.0081   -0.0095    0.0000
 AT.  33 CA X     0.0114    0.0060   -0.0049   -0.0053   -0.0088   -0.0024
            Y     0.0072    0.0062    0.0018   -0.0044    0.0077    0.0031
            Z     0.0081    0.0066   -0.0025   -0.0062   -0.0094    0.0088
 AT.  34 CA X     0.0114    0.0060   -0.0049    0.0053   -0.0088    0.0024
            Y     0.0072    0.0062    0.0018    0.0044    0.0077   -0.0031
            Z    -0.0081   -0.0066    0.0025   -0.0062    0.0094    0.0088
 AT.  35 CA X     0.0114   -0.0060   -0.0049   -0.0053    0.0088   -0.0024
            Y    -0.0072    0.0062   -0.0018    0.0044    0.0077   -0.0031
            Z    -0.0081    0.0066    0.0025    0.0062   -0.0094   -0.0088
 AT.  36 CA X     0.0114   -0.0060   -0.0049    0.0053    0.0088    0.0024
            Y    -0.0072    0.0062   -0.0018   -0.0044    0.0077    0.0031
            Z     0.0081   -0.0066   -0.0025    0.0062    0.0094   -0.0088
 AT.  37 CA X     0.0114   -0.0060   -0.0049   -0.0053   -0.0088    0.0024
            Y     0.0072   -0.0062    0.0018   -0.0044    0.0077   -0.0031
            Z     0.0081   -0.0066   -0.0025   -0.0062   -0.0094   -0.0088
 AT.  38 CA X     0.0114   -0.0060   -0.0049    0.0053   -0.0088   -0.0024
            Y     0.0072   -0.0062    0.0018    0.0044    0.0077    0.0031
            Z    -0.0081    0.0066    0.0025   -0.0062    0.0094   -0.0088
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            Y    -0.0072   -0.0062   -0.0018    0.0044    0.0077    0.0031
            Z    -0.0081   -0.0066    0.0025    0.0062   -0.0094    0.0088
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            Y    -0.0072   -0.0062   -0.0018   -0.0044    0.0077   -0.0031
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 AT.  41 CA X    -0.0044   -0.0242   -0.0081    0.0191    0.0002   -0.0082
            Y    -0.0112   -0.0081   -0.0027    0.0099   -0.0159   -0.0075
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            Y    -0.0112   -0.0081   -0.0027   -0.0099   -0.0159    0.0075
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 AT.  43 CA X    -0.0044    0.0242   -0.0081    0.0191   -0.0002   -0.0082
            Y     0.0112   -0.0081    0.0027   -0.0099   -0.0159    0.0075
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            Y    -0.0112    0.0081   -0.0027    0.0099   -0.0159    0.0075
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 AT.  53 O  X    -0.0075   -0.0028   -0.0084    0.0065    0.0072    0.0045
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 AT.  57 O  X    -0.0075    0.0028   -0.0084    0.0065    0.0072   -0.0045
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 AT.  61 O  X    -0.0069   -0.0093   -0.0007    0.0006   -0.0011   -0.0066
            Y    -0.0136   -0.0107    0.0114    0.0032    0.0034    0.0065
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 AT.  62 O  X    -0.0069   -0.0093   -0.0007   -0.0006   -0.0011    0.0066
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 AT.  63 O  X    -0.0069    0.0093   -0.0007    0.0006    0.0011   -0.0066
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            Y    -0.0136    0.0107    0.0114    0.0032    0.0034   -0.0065
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 AT.  66 O  X    -0.0069    0.0093   -0.0007   -0.0006   -0.0011   -0.0066
            Y    -0.0136    0.0107    0.0114   -0.0032    0.0034    0.0065
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 AT.  67 O  X    -0.0069   -0.0093   -0.0007    0.0006    0.0011    0.0066
            Y     0.0136    0.0107   -0.0114   -0.0032    0.0034    0.0065
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 AT.  68 O  X    -0.0069   -0.0093   -0.0007   -0.0006    0.0011   -0.0066
            Y     0.0136    0.0107   -0.0114    0.0032    0.0034   -0.0065
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 AT.  69 O  X     0.0047   -0.0026    0.0104   -0.0082    0.0068   -0.0077
            Y     0.0017    0.0035   -0.0121    0.0059   -0.0142   -0.0049
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 AT.  70 O  X     0.0047   -0.0026    0.0104    0.0082    0.0068    0.0077
            Y     0.0017    0.0035   -0.0121   -0.0059   -0.0142    0.0049
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 AT.  71 O  X     0.0047    0.0026    0.0104   -0.0082   -0.0068   -0.0077
            Y    -0.0017    0.0035    0.0121   -0.0059   -0.0142    0.0049
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 AT.  72 O  X     0.0047    0.0026    0.0104    0.0082   -0.0068    0.0077
            Y    -0.0017    0.0035    0.0121    0.0059   -0.0142   -0.0049
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 AT.  73 O  X     0.0047    0.0026    0.0104   -0.0082    0.0068    0.0077
            Y     0.0017   -0.0035   -0.0121    0.0059   -0.0142    0.0049
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 AT.  74 O  X     0.0047    0.0026    0.0104    0.0082    0.0068   -0.0077
            Y     0.0017   -0.0035   -0.0121   -0.0059   -0.0142   -0.0049
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 AT.  75 O  X     0.0047   -0.0026    0.0104   -0.0082   -0.0068    0.0077
            Y    -0.0017   -0.0035    0.0121   -0.0059   -0.0142   -0.0049
            Z    -0.0095   -0.0026    0.0026    0.0030   -0.0049   -0.0095
 AT.  76 O  X     0.0047   -0.0026    0.0104    0.0082   -0.0068   -0.0077
            Y    -0.0017   -0.0035    0.0121    0.0059   -0.0142    0.0049
            Z     0.0095    0.0026   -0.0026    0.0030    0.0049   -0.0095
 AT.  77 O  X    -0.0013   -0.0052   -0.0015   -0.0007    0.0027   -0.0024
            Y    -0.0069   -0.0045   -0.0171    0.0132    0.0044    0.0240
            Z     0.0066    0.0053    0.0136   -0.0054    0.0087   -0.0038
 AT.  78 O  X    -0.0013   -0.0052   -0.0015    0.0007    0.0027    0.0024
            Y    -0.0069   -0.0045   -0.0171   -0.0132    0.0044   -0.0240
            Z    -0.0066   -0.0053   -0.0136   -0.0054   -0.0087   -0.0038
 AT.  79 O  X    -0.0013    0.0052   -0.0015   -0.0007   -0.0027   -0.0024
            Y     0.0069   -0.0045    0.0171   -0.0132    0.0044   -0.0240
            Z    -0.0066    0.0053   -0.0136    0.0054    0.0087    0.0038
 AT.  80 O  X    -0.0013    0.0052   -0.0015    0.0007   -0.0027    0.0024
            Y     0.0069   -0.0045    0.0171    0.0132    0.0044    0.0240
            Z     0.0066   -0.0053    0.0136    0.0054   -0.0087    0.0038
 AT.  81 O  X    -0.0013    0.0052   -0.0015   -0.0007    0.0027    0.0024
            Y    -0.0069    0.0045   -0.0171    0.0132    0.0044   -0.0240
            Z     0.0066   -0.0053    0.0136   -0.0054    0.0087    0.0038
 AT.  82 O  X    -0.0013    0.0052   -0.0015    0.0007    0.0027   -0.0024
            Y    -0.0069    0.0045   -0.0171   -0.0132    0.0044    0.0240
            Z    -0.0066    0.0053   -0.0136   -0.0054   -0.0087    0.0038
 AT.  83 O  X    -0.0013   -0.0052   -0.0015   -0.0007   -0.0027    0.0024
            Y     0.0069    0.0045    0.0171   -0.0132    0.0044    0.0240
            Z    -0.0066   -0.0053   -0.0136    0.0054    0.0087   -0.0038
 AT.  84 O  X    -0.0013   -0.0052   -0.0015    0.0007   -0.0027   -0.0024
            Y     0.0069    0.0045    0.0171    0.0132    0.0044   -0.0240
            Z     0.0066    0.0053    0.0136    0.0054   -0.0087   -0.0038
 AT.  85 O  X    -0.0057    0.0123    0.0238   -0.0119    0.0022   -0.0038
            Y    -0.0057   -0.0044   -0.0014    0.0052    0.0036   -0.0057
            Z    -0.0058   -0.0028    0.0073   -0.0008   -0.0003    0.0033
 AT.  86 O  X    -0.0057    0.0123    0.0238    0.0119    0.0022    0.0038
            Y    -0.0057   -0.0044   -0.0014   -0.0052    0.0036    0.0057
            Z     0.0058    0.0028   -0.0073   -0.0008    0.0003    0.0033
 AT.  87 O  X    -0.0057   -0.0123    0.0238   -0.0119   -0.0022   -0.0038
            Y     0.0057   -0.0044    0.0014   -0.0052    0.0036    0.0057
            Z     0.0058   -0.0028   -0.0073    0.0008   -0.0003   -0.0033
 AT.  88 O  X    -0.0057   -0.0123    0.0238    0.0119   -0.0022    0.0038
            Y     0.0057   -0.0044    0.0014    0.0052    0.0036   -0.0057
            Z    -0.0058    0.0028    0.0073    0.0008    0.0003   -0.0033
 AT.  89 O  X    -0.0057   -0.0123    0.0238   -0.0119    0.0022    0.0038
            Y    -0.0057    0.0044   -0.0014    0.0052    0.0036    0.0057
            Z    -0.0058    0.0028    0.0073   -0.0008   -0.0003   -0.0033
 AT.  90 O  X    -0.0057   -0.0123    0.0238    0.0119    0.0022   -0.0038
            Y    -0.0057    0.0044   -0.0014   -0.0052    0.0036   -0.0057
            Z     0.0058   -0.0028   -0.0073   -0.0008    0.0003   -0.0033
 AT.  91 O  X    -0.0057    0.0123    0.0238   -0.0119   -0.0022    0.0038
            Y     0.0057    0.0044    0.0014   -0.0052    0.0036   -0.0057
            Z     0.0058    0.0028   -0.0073    0.0008   -0.0003    0.0033
 AT.  92 O  X    -0.0057    0.0123    0.0238    0.0119   -0.0022   -0.0038
            Y     0.0057    0.0044    0.0014    0.0052    0.0036    0.0057
            Z    -0.0058   -0.0028    0.0073    0.0008    0.0003    0.0033
 AT.  93 O  X     0.0010    0.0044    0.0041    0.0011    0.0092    0.0018
            Y    -0.0040   -0.0075    0.0028    0.0028    0.0049   -0.0041
            Z    -0.0088    0.0042    0.0026    0.0019   -0.0025    0.0053
 AT.  94 O  X     0.0010    0.0044    0.0041   -0.0011    0.0092   -0.0018
            Y    -0.0040   -0.0075    0.0028   -0.0028    0.0049    0.0041
            Z     0.0088   -0.0042   -0.0026    0.0019    0.0025    0.0053
 AT.  95 O  X     0.0010   -0.0044    0.0041    0.0011   -0.0092    0.0018
            Y     0.0040   -0.0075   -0.0028   -0.0028    0.0049    0.0041
            Z     0.0088    0.0042   -0.0026   -0.0019   -0.0025   -0.0053
 AT.  96 O  X     0.0010   -0.0044    0.0041   -0.0011   -0.0092   -0.0018
            Y     0.0040   -0.0075   -0.0028    0.0028    0.0049   -0.0041
            Z    -0.0088   -0.0042    0.0026   -0.0019    0.0025   -0.0053
 AT.  97 O  X     0.0010   -0.0044    0.0041    0.0011    0.0092   -0.0018
            Y    -0.0040    0.0075    0.0028    0.0028    0.0049    0.0041
            Z    -0.0088   -0.0042    0.0026    0.0019   -0.0025   -0.0053
 AT.  98 O  X     0.0010   -0.0044    0.0041   -0.0011    0.0092    0.0018
            Y    -0.0040    0.0075    0.0028   -0.0028    0.0049   -0.0041
            Z     0.0088    0.0042   -0.0026    0.0019    0.0025   -0.0053
 AT.  99 O  X     0.0010    0.0044    0.0041    0.0011   -0.0092   -0.0018
            Y     0.0040    0.0075   -0.0028   -0.0028    0.0049   -0.0041
            Z     0.0088   -0.0042   -0.0026   -0.0019   -0.0025    0.0053
 AT. 100 O  X     0.0010    0.0044    0.0041   -0.0011   -0.0092    0.0018
            Y     0.0040    0.0075   -0.0028    0.0028    0.0049    0.0041
            Z    -0.0088    0.0042    0.0026   -0.0019    0.0025    0.0053
 AT. 101 O  X     0.0031    0.0024   -0.0061    0.0004    0.0022    0.0006
            Y    -0.0047   -0.0061    0.0091   -0.0008    0.0089   -0.0069
            Z    -0.0100    0.0006    0.0120   -0.0028    0.0024   -0.0025
 AT. 102 O  X     0.0031    0.0024   -0.0061   -0.0004    0.0022   -0.0006
            Y    -0.0047   -0.0061    0.0091    0.0008    0.0089    0.0069
            Z     0.0100   -0.0006   -0.0120   -0.0028   -0.0024   -0.0025
 AT. 103 O  X     0.0031   -0.0024   -0.0061    0.0004   -0.0022    0.0006
            Y     0.0047   -0.0061   -0.0091    0.0008    0.0089    0.0069
            Z     0.0100    0.0006   -0.0120    0.0028    0.0024    0.0025
 AT. 104 O  X     0.0031   -0.0024   -0.0061   -0.0004   -0.0022   -0.0006
            Y     0.0047   -0.0061   -0.0091   -0.0008    0.0089   -0.0069
            Z    -0.0100   -0.0006    0.0120    0.0028   -0.0024    0.0025
 AT. 105 O  X     0.0031   -0.0024   -0.0061    0.0004    0.0022   -0.0006
            Y    -0.0047    0.0061    0.0091   -0.0008    0.0089    0.0069
            Z    -0.0100   -0.0006    0.0120   -0.0028    0.0024    0.0025
 AT. 106 O  X     0.0031   -0.0024   -0.0061   -0.0004    0.0022    0.0006
            Y    -0.0047    0.0061    0.0091    0.0008    0.0089   -0.0069
            Z     0.0100    0.0006   -0.0120   -0.0028   -0.0024    0.0025
 AT. 107 O  X     0.0031    0.0024   -0.0061    0.0004   -0.0022   -0.0006
            Y     0.0047    0.0061   -0.0091    0.0008    0.0089   -0.0069
            Z     0.0100   -0.0006   -0.0120    0.0028    0.0024   -0.0025
 AT. 108 O  X     0.0031    0.0024   -0.0061   -0.0004   -0.0022    0.0006
            Y     0.0047    0.0061   -0.0091   -0.0008    0.0089    0.0069
            Z    -0.0100    0.0006    0.0120    0.0028   -0.0024   -0.0025
 AT. 109 O  X     0.0003    0.0075    0.0098   -0.0047    0.0029   -0.0004
            Y     0.0044   -0.0060   -0.0031    0.0034    0.0178    0.0045
            Z     0.0057   -0.0156   -0.0230    0.0178   -0.0001    0.0108
 AT. 110 O  X     0.0003    0.0075    0.0098    0.0047    0.0029    0.0004
            Y     0.0044   -0.0060   -0.0031   -0.0034    0.0178   -0.0045
            Z    -0.0057    0.0156    0.0230    0.0178    0.0001    0.0108
 AT. 111 O  X     0.0003   -0.0075    0.0098   -0.0047   -0.0029   -0.0004
            Y    -0.0044   -0.0060    0.0031   -0.0034    0.0178   -0.0045
            Z    -0.0057   -0.0156    0.0230   -0.0178   -0.0001   -0.0108
 AT. 112 O  X     0.0003   -0.0075    0.0098    0.0047   -0.0029    0.0004
            Y    -0.0044   -0.0060    0.0031    0.0034    0.0178    0.0045
            Z     0.0057    0.0156   -0.0230   -0.0178    0.0001   -0.0108
 AT. 113 O  X     0.0003   -0.0075    0.0098   -0.0047    0.0029    0.0004
            Y     0.0044    0.0060   -0.0031    0.0034    0.0178   -0.0045
            Z     0.0057    0.0156   -0.0230    0.0178   -0.0001   -0.0108
 AT. 114 O  X     0.0003   -0.0075    0.0098    0.0047    0.0029   -0.0004
            Y     0.0044    0.0060   -0.0031   -0.0034    0.0178    0.0045
            Z    -0.0057   -0.0156    0.0230    0.0178    0.0001   -0.0108
 AT. 115 O  X     0.0003    0.0075    0.0098   -0.0047   -0.0029    0.0004
            Y    -0.0044    0.0060    0.0031   -0.0034    0.0178    0.0045
            Z    -0.0057    0.0156    0.0230   -0.0178   -0.0001    0.0108
 AT. 116 O  X     0.0003    0.0075    0.0098    0.0047   -0.0029   -0.0004
            Y    -0.0044    0.0060    0.0031    0.0034    0.0178   -0.0045
            Z     0.0057   -0.0156   -0.0230   -0.0178    0.0001    0.0108
 AT. 117 O  X    -0.0013    0.0042   -0.0015   -0.0017    0.0077   -0.0124
            Y    -0.0012    0.0016    0.0038   -0.0018    0.0062   -0.0009
            Z    -0.0041   -0.0117   -0.0013    0.0085   -0.0065    0.0143
 AT. 118 O  X    -0.0013    0.0042   -0.0015    0.0017    0.0077    0.0124
            Y    -0.0012    0.0016    0.0038    0.0018    0.0062    0.0009
            Z     0.0041    0.0117    0.0013    0.0085    0.0065    0.0143
 AT. 119 O  X    -0.0013   -0.0042   -0.0015   -0.0017   -0.0077   -0.0124
            Y     0.0012    0.0016   -0.0038    0.0018    0.0062    0.0009
            Z     0.0041   -0.0117    0.0013   -0.0085   -0.0065   -0.0143
 AT. 120 O  X    -0.0013   -0.0042   -0.0015    0.0017   -0.0077    0.0124
            Y     0.0012    0.0016   -0.0038   -0.0018    0.0062   -0.0009
            Z    -0.0041    0.0117   -0.0013   -0.0085    0.0065   -0.0143
 AT. 121 O  X    -0.0013   -0.0042   -0.0015   -0.0017    0.0077    0.0124
            Y    -0.0012   -0.0016    0.0038   -0.0018    0.0062    0.0009
            Z    -0.0041    0.0117   -0.0013    0.0085   -0.0065   -0.0143
 AT. 122 O  X    -0.0013   -0.0042   -0.0015    0.0017    0.0077   -0.0124
            Y    -0.0012   -0.0016    0.0038    0.0018    0.0062   -0.0009
            Z     0.0041   -0.0117    0.0013    0.0085    0.0065   -0.0143
 AT. 123 O  X    -0.0013    0.0042   -0.0015   -0.0017   -0.0077    0.0124
            Y     0.0012   -0.0016   -0.0038    0.0018    0.0062   -0.0009
            Z     0.0041    0.0117    0.0013   -0.0085   -0.0065    0.0143
 AT. 124 O  X    -0.0013    0.0042   -0.0015    0.0017   -0.0077   -0.0124
            Y     0.0012   -0.0016   -0.0038   -0.0018    0.0062    0.0009
            Z    -0.0041   -0.0117   -0.0013   -0.0085    0.0065    0.0143

 FREQ(CM**-1)    260.69    260.96    262.06    262.19    264.20    265.79

 AT.   1 SI X    -0.0039    0.0100   -0.0049    0.0022   -0.0001   -0.0095
            Y     0.0017    0.0035   -0.0082   -0.0044   -0.0010    0.0023
            Z    -0.0021   -0.0002   -0.0173    0.0024    0.0023    0.0033
 AT.   2 SI X     0.0039   -0.0100   -0.0049   -0.0022   -0.0001   -0.0095
            Y    -0.0017   -0.0035   -0.0082    0.0044   -0.0010    0.0023
            Z    -0.0021   -0.0002    0.0173    0.0024   -0.0023   -0.0033
 AT.   3 SI X    -0.0039   -0.0100    0.0049   -0.0022    0.0001   -0.0095
            Y    -0.0017    0.0035   -0.0082   -0.0044   -0.0010   -0.0023
            Z     0.0021   -0.0002   -0.0173    0.0024    0.0023   -0.0033
 AT.   4 SI X     0.0039    0.0100    0.0049    0.0022    0.0001   -0.0095
            Y     0.0017   -0.0035   -0.0082    0.0044   -0.0010   -0.0023
            Z     0.0021   -0.0002    0.0173    0.0024   -0.0023    0.0033
 AT.   5 SI X     0.0039   -0.0100    0.0049    0.0022   -0.0001    0.0095
            Y    -0.0017   -0.0035    0.0082   -0.0044   -0.0010   -0.0023
            Z     0.0021    0.0002    0.0173    0.0024    0.0023   -0.0033
 AT.   6 SI X    -0.0039    0.0100    0.0049   -0.0022   -0.0001    0.0095
            Y     0.0017    0.0035    0.0082    0.0044   -0.0010   -0.0023
            Z     0.0021    0.0002   -0.0173    0.0024   -0.0023    0.0033
 AT.   7 SI X     0.0039    0.0100   -0.0049   -0.0022    0.0001    0.0095
            Y     0.0017   -0.0035    0.0082   -0.0044   -0.0010    0.0023
            Z    -0.0021    0.0002    0.0173    0.0024    0.0023    0.0033
 AT.   8 SI X    -0.0039   -0.0100   -0.0049    0.0022    0.0001    0.0095
            Y    -0.0017    0.0035    0.0082    0.0044   -0.0010    0.0023
            Z    -0.0021    0.0002   -0.0173    0.0024   -0.0023   -0.0033
 AT.   9 SI X     0.0019   -0.0113   -0.0032    0.0045   -0.0005    0.0064
            Y     0.0048   -0.0005   -0.0074    0.0052   -0.0010   -0.0013
            Z     0.0029    0.0012   -0.0025   -0.0012   -0.0047   -0.0027
 AT.  10 SI X    -0.0019    0.0113   -0.0032   -0.0045   -0.0005    0.0064
            Y    -0.0048    0.0005   -0.0074   -0.0052   -0.0010   -0.0013
            Z     0.0029    0.0012    0.0025   -0.0012    0.0047    0.0027
 AT.  11 SI X     0.0019    0.0113    0.0032   -0.0045    0.0005    0.0064
            Y    -0.0048   -0.0005   -0.0074    0.0052   -0.0010    0.0013
            Z    -0.0029    0.0012   -0.0025   -0.0012   -0.0047    0.0027
 AT.  12 SI X    -0.0019   -0.0113    0.0032    0.0045    0.0005    0.0064
            Y     0.0048    0.0005   -0.0074   -0.0052   -0.0010    0.0013
            Z    -0.0029    0.0012    0.0025   -0.0012    0.0047   -0.0027
 AT.  13 SI X    -0.0019    0.0113    0.0032    0.0045   -0.0005   -0.0064
            Y    -0.0048    0.0005    0.0074    0.0052   -0.0010    0.0013
            Z    -0.0029   -0.0012    0.0025   -0.0012   -0.0047    0.0027
 AT.  14 SI X     0.0019   -0.0113    0.0032   -0.0045   -0.0005   -0.0064
            Y     0.0048   -0.0005    0.0074   -0.0052   -0.0010    0.0013
            Z    -0.0029   -0.0012   -0.0025   -0.0012    0.0047   -0.0027
 AT.  15 SI X    -0.0019   -0.0113   -0.0032   -0.0045    0.0005   -0.0064
            Y     0.0048    0.0005    0.0074    0.0052   -0.0010   -0.0013
            Z     0.0029   -0.0012    0.0025   -0.0012   -0.0047   -0.0027
 AT.  16 SI X     0.0019    0.0113   -0.0032    0.0045    0.0005   -0.0064
            Y    -0.0048   -0.0005    0.0074   -0.0052   -0.0010   -0.0013
            Z     0.0029   -0.0012   -0.0025   -0.0012    0.0047    0.0027
 AT.  17 SI X     0.0000    0.0060    0.0000    0.0004    0.0000   -0.0016
            Y     0.0054    0.0000   -0.0048    0.0000   -0.0051    0.0000
            Z     0.0000   -0.0079    0.0000    0.0006    0.0000    0.0005
 AT.  18 SI X     0.0000   -0.0060    0.0000   -0.0004    0.0000   -0.0016
            Y    -0.0054    0.0000   -0.0048    0.0000   -0.0051    0.0000
            Z     0.0000   -0.0079    0.0000    0.0006    0.0000   -0.0005
 AT.  19 SI X     0.0000   -0.0060    0.0000    0.0004    0.0000    0.0016
            Y    -0.0054    0.0000    0.0048    0.0000   -0.0051    0.0000
            Z     0.0000    0.0079    0.0000    0.0006    0.0000   -0.0005
 AT.  20 SI X     0.0000    0.0060    0.0000   -0.0004    0.0000    0.0016
            Y     0.0054    0.0000    0.0048    0.0000   -0.0051    0.0000
            Z     0.0000    0.0079    0.0000    0.0006    0.0000    0.0005
 AT.  21 CA X    -0.0056   -0.0021    0.0034    0.0021    0.0060   -0.0125
            Y    -0.0003    0.0008    0.0075    0.0000    0.0062   -0.0152
            Z     0.0060    0.0069   -0.0080   -0.0058   -0.0027    0.0015
 AT.  22 CA X     0.0056    0.0021    0.0034   -0.0021    0.0060   -0.0125
            Y     0.0003   -0.0008    0.0075    0.0000    0.0062   -0.0152
            Z     0.0060    0.0069    0.0080   -0.0058    0.0027   -0.0015
 AT.  23 CA X    -0.0056    0.0021   -0.0034   -0.0021   -0.0060   -0.0125
            Y     0.0003    0.0008    0.0075    0.0000    0.0062    0.0152
            Z    -0.0060    0.0069   -0.0080   -0.0058   -0.0027   -0.0015
 AT.  24 CA X     0.0056   -0.0021   -0.0034    0.0021   -0.0060   -0.0125
            Y    -0.0003   -0.0008    0.0075    0.0000    0.0062    0.0152
            Z    -0.0060    0.0069    0.0080   -0.0058    0.0027    0.0015
 AT.  25 CA X     0.0056    0.0021   -0.0034    0.0021    0.0060    0.0125
            Y     0.0003   -0.0008   -0.0075    0.0000    0.0062    0.0152
            Z    -0.0060   -0.0069    0.0080   -0.0058   -0.0027   -0.0015
 AT.  26 CA X    -0.0056   -0.0021   -0.0034   -0.0021    0.0060    0.0125
            Y    -0.0003    0.0008   -0.0075    0.0000    0.0062    0.0152
            Z    -0.0060   -0.0069   -0.0080   -0.0058    0.0027    0.0015
 AT.  27 CA X     0.0056   -0.0021    0.0034   -0.0021   -0.0060    0.0125
            Y    -0.0003   -0.0008   -0.0075    0.0000    0.0062   -0.0152
            Z     0.0060   -0.0069    0.0080   -0.0058   -0.0027    0.0015
 AT.  28 CA X    -0.0056    0.0021    0.0034    0.0021   -0.0060    0.0125
            Y     0.0003    0.0008   -0.0075    0.0000    0.0062   -0.0152
            Z     0.0060   -0.0069   -0.0080   -0.0058    0.0027   -0.0015
 AT.  29 CA X     0.0000    0.0000    0.0000   -0.0058   -0.0056    0.0000
            Y     0.0000    0.0000    0.0000    0.0114    0.0044    0.0000
            Z     0.0000    0.0000    0.0000    0.0113    0.0047    0.0000
 AT.  30 CA X     0.0000    0.0000    0.0000    0.0058   -0.0056    0.0000
            Y     0.0000    0.0000    0.0000   -0.0114    0.0044    0.0000
            Z     0.0000    0.0000    0.0000    0.0113   -0.0047    0.0000
 AT.  31 CA X     0.0000    0.0000    0.0000    0.0058    0.0056    0.0000
            Y     0.0000    0.0000    0.0000    0.0114    0.0044    0.0000
            Z     0.0000    0.0000    0.0000    0.0113    0.0047    0.0000
 AT.  32 CA X     0.0000    0.0000    0.0000   -0.0058    0.0056    0.0000
            Y     0.0000    0.0000    0.0000   -0.0114    0.0044    0.0000
            Z     0.0000    0.0000    0.0000    0.0113   -0.0047    0.0000
 AT.  33 CA X     0.0031    0.0009    0.0009   -0.0120   -0.0004   -0.0020
            Y     0.0066   -0.0059    0.0085    0.0089   -0.0063   -0.0016
            Z     0.0050   -0.0015    0.0047   -0.0101   -0.0102    0.0008
 AT.  34 CA X    -0.0031   -0.0009    0.0009    0.0120   -0.0004   -0.0020
            Y    -0.0066    0.0059    0.0085   -0.0089   -0.0063   -0.0016
            Z     0.0050   -0.0015   -0.0047   -0.0101    0.0102   -0.0008
 AT.  35 CA X     0.0031   -0.0009   -0.0009    0.0120    0.0004   -0.0020
            Y    -0.0066   -0.0059    0.0085    0.0089   -0.0063    0.0016
            Z    -0.0050   -0.0015    0.0047   -0.0101   -0.0102   -0.0008
 AT.  36 CA X    -0.0031    0.0009   -0.0009   -0.0120    0.0004   -0.0020
            Y     0.0066    0.0059    0.0085   -0.0089   -0.0063    0.0016
            Z    -0.0050   -0.0015   -0.0047   -0.0101    0.0102    0.0008
 AT.  37 CA X    -0.0031   -0.0009   -0.0009   -0.0120   -0.0004    0.0020
            Y    -0.0066    0.0059   -0.0085    0.0089   -0.0063    0.0016
            Z    -0.0050    0.0015   -0.0047   -0.0101   -0.0102   -0.0008
 AT.  38 CA X     0.0031    0.0009   -0.0009    0.0120   -0.0004    0.0020
            Y     0.0066   -0.0059   -0.0085   -0.0089   -0.0063    0.0016
            Z    -0.0050    0.0015    0.0047   -0.0101    0.0102    0.0008
 AT.  39 CA X    -0.0031    0.0009    0.0009    0.0120    0.0004    0.0020
            Y     0.0066    0.0059   -0.0085    0.0089   -0.0063   -0.0016
            Z     0.0050    0.0015   -0.0047   -0.0101   -0.0102    0.0008
 AT.  40 CA X     0.0031   -0.0009    0.0009   -0.0120    0.0004    0.0020
            Y    -0.0066   -0.0059   -0.0085   -0.0089   -0.0063   -0.0016
            Z     0.0050    0.0015    0.0047   -0.0101    0.0102   -0.0008
 AT.  41 CA X    -0.0059    0.0089    0.0055    0.0050    0.0111    0.0072
            Y    -0.0085   -0.0021    0.0045   -0.0138    0.0126    0.0049
            Z    -0.0071    0.0008   -0.0012    0.0023    0.0097    0.0051
 AT.  42 CA X     0.0059   -0.0089    0.0055   -0.0050    0.0111    0.0072
            Y     0.0085    0.0021    0.0045    0.0138    0.0126    0.0049
            Z    -0.0071    0.0008    0.0012    0.0023   -0.0097   -0.0051
 AT.  43 CA X    -0.0059   -0.0089   -0.0055   -0.0050   -0.0111    0.0072
            Y     0.0085   -0.0021    0.0045   -0.0138    0.0126   -0.0049
            Z     0.0071    0.0008   -0.0012    0.0023    0.0097   -0.0051
 AT.  44 CA X     0.0059    0.0089   -0.0055    0.0050   -0.0111    0.0072
            Y    -0.0085    0.0021    0.0045    0.0138    0.0126   -0.0049
            Z     0.0071    0.0008    0.0012    0.0023   -0.0097    0.0051
 AT.  45 CA X     0.0059   -0.0089   -0.0055    0.0050    0.0111   -0.0072
            Y     0.0085    0.0021   -0.0045   -0.0138    0.0126   -0.0049
            Z     0.0071   -0.0008    0.0012    0.0023    0.0097   -0.0051
 AT.  46 CA X    -0.0059    0.0089   -0.0055   -0.0050    0.0111   -0.0072
            Y    -0.0085   -0.0021   -0.0045    0.0138    0.0126   -0.0049
            Z     0.0071   -0.0008   -0.0012    0.0023   -0.0097    0.0051
 AT.  47 CA X     0.0059    0.0089    0.0055   -0.0050   -0.0111   -0.0072
            Y    -0.0085    0.0021   -0.0045   -0.0138    0.0126    0.0049
            Z    -0.0071   -0.0008    0.0012    0.0023    0.0097    0.0051
 AT.  48 CA X    -0.0059   -0.0089    0.0055    0.0050   -0.0111   -0.0072
            Y     0.0085   -0.0021   -0.0045    0.0138    0.0126    0.0049
            Z    -0.0071   -0.0008   -0.0012    0.0023   -0.0097   -0.0051
 AT.  49 CA X     0.0000   -0.0010    0.0000   -0.0024    0.0000   -0.0018
            Y    -0.0173    0.0000   -0.0032    0.0000    0.0003    0.0000
            Z     0.0000    0.0042    0.0000    0.0101    0.0000    0.0003
 AT.  50 CA X     0.0000    0.0010    0.0000    0.0024    0.0000   -0.0018
            Y     0.0173    0.0000   -0.0032    0.0000    0.0003    0.0000
            Z     0.0000    0.0042    0.0000    0.0101    0.0000   -0.0003
 AT.  51 CA X     0.0000    0.0010    0.0000   -0.0024    0.0000    0.0018
            Y     0.0173    0.0000    0.0032    0.0000    0.0003    0.0000
            Z     0.0000   -0.0042    0.0000    0.0101    0.0000   -0.0003
 AT.  52 CA X     0.0000   -0.0010    0.0000    0.0024    0.0000    0.0018
            Y    -0.0173    0.0000    0.0032    0.0000    0.0003    0.0000
            Z     0.0000   -0.0042    0.0000    0.0101    0.0000    0.0003
 AT.  53 O  X    -0.0019    0.0077   -0.0080    0.0076   -0.0032   -0.0033
            Y     0.0001    0.0037   -0.0045   -0.0053   -0.0006    0.0002
            Z    -0.0187    0.0036   -0.0104    0.0055    0.0113    0.0195
 AT.  54 O  X     0.0019   -0.0077   -0.0080   -0.0076   -0.0032   -0.0033
            Y    -0.0001   -0.0037   -0.0045    0.0053   -0.0006    0.0002
            Z    -0.0187    0.0036    0.0104    0.0055   -0.0113   -0.0195
 AT.  55 O  X    -0.0019   -0.0077    0.0080   -0.0076    0.0032   -0.0033
            Y    -0.0001    0.0037   -0.0045   -0.0053   -0.0006   -0.0002
            Z     0.0187    0.0036   -0.0104    0.0055    0.0113   -0.0195
 AT.  56 O  X     0.0019    0.0077    0.0080    0.0076    0.0032   -0.0033
            Y     0.0001   -0.0037   -0.0045    0.0053   -0.0006   -0.0002
            Z     0.0187    0.0036    0.0104    0.0055   -0.0113    0.0195
 AT.  57 O  X     0.0019   -0.0077    0.0080    0.0076   -0.0032    0.0033
            Y    -0.0001   -0.0037    0.0045   -0.0053   -0.0006   -0.0002
            Z     0.0187   -0.0036    0.0104    0.0055    0.0113   -0.0195
 AT.  58 O  X    -0.0019    0.0077    0.0080   -0.0076   -0.0032    0.0033
            Y     0.0001    0.0037    0.0045    0.0053   -0.0006   -0.0002
            Z     0.0187   -0.0036   -0.0104    0.0055   -0.0113    0.0195
 AT.  59 O  X     0.0019    0.0077   -0.0080   -0.0076    0.0032    0.0033
            Y     0.0001   -0.0037    0.0045   -0.0053   -0.0006    0.0002
            Z    -0.0187   -0.0036    0.0104    0.0055    0.0113    0.0195
 AT.  60 O  X    -0.0019   -0.0077   -0.0080    0.0076    0.0032    0.0033
            Y    -0.0001    0.0037    0.0045    0.0053   -0.0006    0.0002
            Z    -0.0187   -0.0036   -0.0104    0.0055   -0.0113   -0.0195
 AT.  61 O  X    -0.0102    0.0063    0.0086   -0.0018    0.0087   -0.0088
            Y    -0.0155    0.0028   -0.0070    0.0033    0.0147    0.0112
            Z     0.0067   -0.0026   -0.0090   -0.0058   -0.0042   -0.0009
 AT.  62 O  X     0.0102   -0.0063    0.0086    0.0018    0.0087   -0.0088
            Y     0.0155   -0.0028   -0.0070   -0.0033    0.0147    0.0112
            Z     0.0067   -0.0026    0.0090   -0.0058    0.0042    0.0009
 AT.  63 O  X    -0.0102   -0.0063   -0.0086    0.0018   -0.0087   -0.0088
            Y     0.0155    0.0028   -0.0070    0.0033    0.0147   -0.0112
            Z    -0.0067   -0.0026   -0.0090   -0.0058   -0.0042    0.0009
 AT.  64 O  X     0.0102    0.0063   -0.0086   -0.0018   -0.0087   -0.0088
            Y    -0.0155   -0.0028   -0.0070   -0.0033    0.0147   -0.0112
            Z    -0.0067   -0.0026    0.0090   -0.0058    0.0042   -0.0009
 AT.  65 O  X     0.0102   -0.0063   -0.0086   -0.0018    0.0087    0.0088
            Y     0.0155   -0.0028    0.0070    0.0033    0.0147   -0.0112
            Z    -0.0067    0.0026    0.0090   -0.0058   -0.0042    0.0009
 AT.  66 O  X    -0.0102    0.0063   -0.0086    0.0018    0.0087    0.0088
            Y    -0.0155    0.0028    0.0070   -0.0033    0.0147   -0.0112
            Z    -0.0067    0.0026   -0.0090   -0.0058    0.0042   -0.0009
 AT.  67 O  X     0.0102    0.0063    0.0086    0.0018   -0.0087    0.0088
            Y    -0.0155   -0.0028    0.0070    0.0033    0.0147    0.0112
            Z     0.0067    0.0026    0.0090   -0.0058   -0.0042   -0.0009
 AT.  68 O  X    -0.0102   -0.0063    0.0086   -0.0018   -0.0087    0.0088
            Y     0.0155    0.0028    0.0070   -0.0033    0.0147    0.0112
            Z     0.0067    0.0026   -0.0090   -0.0058    0.0042    0.0009
 AT.  69 O  X    -0.0035    0.0125   -0.0162    0.0089    0.0024   -0.0149
            Y     0.0222   -0.0047   -0.0001   -0.0163   -0.0150   -0.0166
            Z     0.0097   -0.0058   -0.0066   -0.0063   -0.0061   -0.0059
 AT.  70 O  X     0.0035   -0.0125   -0.0162   -0.0089    0.0024   -0.0149
            Y    -0.0222    0.0047   -0.0001    0.0163   -0.0150   -0.0166
            Z     0.0097   -0.0058    0.0066   -0.0063    0.0061    0.0059
 AT.  71 O  X    -0.0035   -0.0125    0.0162   -0.0089   -0.0024   -0.0149
            Y    -0.0222   -0.0047   -0.0001   -0.0163   -0.0150    0.0166
            Z    -0.0097   -0.0058   -0.0066   -0.0063   -0.0061    0.0059
 AT.  72 O  X     0.0035    0.0125    0.0162    0.0089   -0.0024   -0.0149
            Y     0.0222    0.0047   -0.0001    0.0163   -0.0150    0.0166
            Z    -0.0097   -0.0058    0.0066   -0.0063    0.0061   -0.0059
 AT.  73 O  X     0.0035   -0.0125    0.0162    0.0089    0.0024    0.0149
            Y    -0.0222    0.0047    0.0001   -0.0163   -0.0150    0.0166
            Z    -0.0097    0.0058    0.0066   -0.0063   -0.0061    0.0059
 AT.  74 O  X    -0.0035    0.0125    0.0162   -0.0089    0.0024    0.0149
            Y     0.0222   -0.0047    0.0001    0.0163   -0.0150    0.0166
            Z    -0.0097    0.0058   -0.0066   -0.0063    0.0061   -0.0059
 AT.  75 O  X     0.0035    0.0125   -0.0162   -0.0089   -0.0024    0.0149
            Y     0.0222    0.0047    0.0001   -0.0163   -0.0150   -0.0166
            Z     0.0097    0.0058    0.0066   -0.0063   -0.0061   -0.0059
 AT.  76 O  X    -0.0035   -0.0125   -0.0162    0.0089   -0.0024    0.0149
            Y    -0.0222   -0.0047    0.0001    0.0163   -0.0150   -0.0166
            Z     0.0097    0.0058   -0.0066   -0.0063    0.0061    0.0059
 AT.  77 O  X    -0.0049    0.0112   -0.0057    0.0025    0.0006   -0.0096
            Y    -0.0028    0.0066   -0.0078    0.0006   -0.0151    0.0190
            Z     0.0069    0.0020   -0.0268    0.0110    0.0016   -0.0046
 AT.  78 O  X     0.0049   -0.0112   -0.0057   -0.0025    0.0006   -0.0096
            Y     0.0028   -0.0066   -0.0078   -0.0006   -0.0151    0.0190
            Z     0.0069    0.0020    0.0268    0.0110   -0.0016    0.0046
 AT.  79 O  X    -0.0049   -0.0112    0.0057   -0.0025   -0.0006   -0.0096
            Y     0.0028    0.0066   -0.0078    0.0006   -0.0151   -0.0190
            Z    -0.0069    0.0020   -0.0268    0.0110    0.0016    0.0046
 AT.  80 O  X     0.0049    0.0112    0.0057    0.0025   -0.0006   -0.0096
            Y    -0.0028   -0.0066   -0.0078   -0.0006   -0.0151   -0.0190
            Z    -0.0069    0.0020    0.0268    0.0110   -0.0016   -0.0046
 AT.  81 O  X     0.0049   -0.0112    0.0057    0.0025    0.0006    0.0096
            Y     0.0028   -0.0066    0.0078    0.0006   -0.0151   -0.0190
            Z    -0.0069   -0.0020    0.0268    0.0110    0.0016    0.0046
 AT.  82 O  X    -0.0049    0.0112    0.0057   -0.0025    0.0006    0.0096
            Y    -0.0028    0.0066    0.0078   -0.0006   -0.0151   -0.0190
            Z    -0.0069   -0.0020   -0.0268    0.0110   -0.0016   -0.0046
 AT.  83 O  X     0.0049    0.0112   -0.0057   -0.0025   -0.0006    0.0096
            Y    -0.0028   -0.0066    0.0078    0.0006   -0.0151    0.0190
            Z     0.0069   -0.0020    0.0268    0.0110    0.0016   -0.0046
 AT.  84 O  X    -0.0049   -0.0112   -0.0057    0.0025   -0.0006    0.0096
            Y     0.0028    0.0066    0.0078   -0.0006   -0.0151    0.0190
            Z     0.0069   -0.0020   -0.0268    0.0110   -0.0016    0.0046
 AT.  85 O  X    -0.0062   -0.0251   -0.0057    0.0098    0.0094    0.0140
            Y    -0.0106    0.0048   -0.0035   -0.0002    0.0092   -0.0032
            Z     0.0072   -0.0088   -0.0042    0.0038   -0.0053    0.0029
 AT.  86 O  X     0.0062    0.0251   -0.0057   -0.0098    0.0094    0.0140
            Y     0.0106   -0.0048   -0.0035    0.0002    0.0092   -0.0032
            Z     0.0072   -0.0088    0.0042    0.0038    0.0053   -0.0029
 AT.  87 O  X    -0.0062    0.0251    0.0057   -0.0098   -0.0094    0.0140
            Y     0.0106    0.0048   -0.0035   -0.0002    0.0092    0.0032
            Z    -0.0072   -0.0088   -0.0042    0.0038   -0.0053   -0.0029
 AT.  88 O  X     0.0062   -0.0251    0.0057    0.0098   -0.0094    0.0140
            Y    -0.0106   -0.0048   -0.0035    0.0002    0.0092    0.0032
            Z    -0.0072   -0.0088    0.0042    0.0038    0.0053    0.0029
 AT.  89 O  X     0.0062    0.0251    0.0057    0.0098    0.0094   -0.0140
            Y     0.0106   -0.0048    0.0035   -0.0002    0.0092    0.0032
            Z    -0.0072    0.0088    0.0042    0.0038   -0.0053   -0.0029
 AT.  90 O  X    -0.0062   -0.0251    0.0057   -0.0098    0.0094   -0.0140
            Y    -0.0106    0.0048    0.0035    0.0002    0.0092    0.0032
            Z    -0.0072    0.0088   -0.0042    0.0038    0.0053    0.0029
 AT.  91 O  X     0.0062   -0.0251   -0.0057   -0.0098   -0.0094   -0.0140
            Y    -0.0106   -0.0048    0.0035   -0.0002    0.0092   -0.0032
            Z     0.0072    0.0088    0.0042    0.0038   -0.0053    0.0029
 AT.  92 O  X    -0.0062    0.0251   -0.0057    0.0098   -0.0094   -0.0140
            Y     0.0106    0.0048    0.0035    0.0002    0.0092   -0.0032
            Z     0.0072    0.0088   -0.0042    0.0038    0.0053   -0.0029
 AT.  93 O  X     0.0058   -0.0064   -0.0046    0.0115   -0.0052    0.0043
            Y     0.0047   -0.0036   -0.0044    0.0027   -0.0010   -0.0002
            Z    -0.0122    0.0009   -0.0090    0.0018    0.0051   -0.0012
 AT.  94 O  X    -0.0058    0.0064   -0.0046   -0.0115   -0.0052    0.0043
            Y    -0.0047    0.0036   -0.0044   -0.0027   -0.0010   -0.0002
            Z    -0.0122    0.0009    0.0090    0.0018   -0.0051    0.0012
 AT.  95 O  X     0.0058    0.0064    0.0046   -0.0115    0.0052    0.0043
            Y    -0.0047   -0.0036   -0.0044    0.0027   -0.0010    0.0002
            Z     0.0122    0.0009   -0.0090    0.0018    0.0051    0.0012
 AT.  96 O  X    -0.0058   -0.0064    0.0046    0.0115    0.0052    0.0043
            Y     0.0047    0.0036   -0.0044   -0.0027   -0.0010    0.0002
            Z     0.0122    0.0009    0.0090    0.0018   -0.0051   -0.0012
 AT.  97 O  X    -0.0058    0.0064    0.0046    0.0115   -0.0052   -0.0043
            Y    -0.0047    0.0036    0.0044    0.0027   -0.0010    0.0002
            Z     0.0122   -0.0009    0.0090    0.0018    0.0051    0.0012
 AT.  98 O  X     0.0058   -0.0064    0.0046   -0.0115   -0.0052   -0.0043
            Y     0.0047   -0.0036    0.0044   -0.0027   -0.0010    0.0002
            Z     0.0122   -0.0009   -0.0090    0.0018   -0.0051   -0.0012
 AT.  99 O  X    -0.0058   -0.0064   -0.0046   -0.0115    0.0052   -0.0043
            Y     0.0047    0.0036    0.0044    0.0027   -0.0010   -0.0002
            Z    -0.0122   -0.0009    0.0090    0.0018    0.0051   -0.0012
 AT. 100 O  X     0.0058    0.0064   -0.0046    0.0115    0.0052   -0.0043
            Y    -0.0047   -0.0036    0.0044   -0.0027   -0.0010   -0.0002
            Z    -0.0122   -0.0009   -0.0090    0.0018   -0.0051    0.0012
 AT. 101 O  X     0.0008    0.0084    0.0007   -0.0042   -0.0004    0.0000
            Y     0.0120   -0.0133   -0.0052    0.0104   -0.0040    0.0040
            Z     0.0059   -0.0173   -0.0009    0.0086   -0.0013    0.0054
 AT. 102 O  X    -0.0008   -0.0084    0.0007    0.0042   -0.0004    0.0000
            Y    -0.0120    0.0133   -0.0052   -0.0104   -0.0040    0.0040
            Z     0.0059   -0.0173    0.0009    0.0086    0.0013   -0.0054
 AT. 103 O  X     0.0008   -0.0084   -0.0007    0.0042    0.0004    0.0000
            Y    -0.0120   -0.0133   -0.0052    0.0104   -0.0040   -0.0040
            Z    -0.0059   -0.0173   -0.0009    0.0086   -0.0013   -0.0054
 AT. 104 O  X    -0.0008    0.0084   -0.0007   -0.0042    0.0004    0.0000
            Y     0.0120    0.0133   -0.0052   -0.0104   -0.0040   -0.0040
            Z    -0.0059   -0.0173    0.0009    0.0086    0.0013    0.0054
 AT. 105 O  X    -0.0008   -0.0084   -0.0007   -0.0042   -0.0004    0.0000
            Y    -0.0120    0.0133    0.0052    0.0104   -0.0040   -0.0040
            Z    -0.0059    0.0173    0.0009    0.0086   -0.0013   -0.0054
 AT. 106 O  X     0.0008    0.0084   -0.0007    0.0042   -0.0004    0.0000
            Y     0.0120   -0.0133    0.0052   -0.0104   -0.0040   -0.0040
            Z    -0.0059    0.0173   -0.0009    0.0086    0.0013    0.0054
 AT. 107 O  X    -0.0008    0.0084    0.0007    0.0042    0.0004    0.0000
            Y     0.0120    0.0133    0.0052    0.0104   -0.0040    0.0040
            Z     0.0059    0.0173    0.0009    0.0086   -0.0013    0.0054
 AT. 108 O  X     0.0008   -0.0084    0.0007   -0.0042    0.0004    0.0000
            Y    -0.0120   -0.0133    0.0052   -0.0104   -0.0040    0.0040
            Z     0.0059    0.0173   -0.0009    0.0086    0.0013   -0.0054
 AT. 109 O  X     0.0014   -0.0115   -0.0039    0.0049    0.0003    0.0071
            Y     0.0137    0.0027   -0.0002    0.0131   -0.0138   -0.0025
            Z     0.0072    0.0249    0.0076   -0.0121   -0.0124   -0.0081
 AT. 110 O  X    -0.0014    0.0115   -0.0039   -0.0049    0.0003    0.0071
            Y    -0.0137   -0.0027   -0.0002   -0.0131   -0.0138   -0.0025
            Z     0.0072    0.0249   -0.0076   -0.0121    0.0124    0.0081
 AT. 111 O  X     0.0014    0.0115    0.0039   -0.0049   -0.0003    0.0071
            Y    -0.0137    0.0027   -0.0002    0.0131   -0.0138    0.0025
            Z    -0.0072    0.0249    0.0076   -0.0121   -0.0124    0.0081
 AT. 112 O  X    -0.0014   -0.0115    0.0039    0.0049   -0.0003    0.0071
            Y     0.0137   -0.0027   -0.0002   -0.0131   -0.0138    0.0025
            Z    -0.0072    0.0249   -0.0076   -0.0121    0.0124   -0.0081
 AT. 113 O  X    -0.0014    0.0115    0.0039    0.0049    0.0003   -0.0071
            Y    -0.0137   -0.0027    0.0002    0.0131   -0.0138    0.0025
            Z    -0.0072   -0.0249   -0.0076   -0.0121   -0.0124    0.0081
 AT. 114 O  X     0.0014   -0.0115    0.0039   -0.0049    0.0003   -0.0071
            Y     0.0137    0.0027    0.0002   -0.0131   -0.0138    0.0025
            Z    -0.0072   -0.0249    0.0076   -0.0121    0.0124   -0.0081
 AT. 115 O  X    -0.0014   -0.0115   -0.0039   -0.0049   -0.0003   -0.0071
            Y     0.0137   -0.0027    0.0002    0.0131   -0.0138   -0.0025
            Z     0.0072   -0.0249   -0.0076   -0.0121   -0.0124   -0.0081
 AT. 116 O  X     0.0014    0.0115   -0.0039    0.0049   -0.0003   -0.0071
            Y    -0.0137    0.0027    0.0002   -0.0131   -0.0138   -0.0025
            Z     0.0072   -0.0249    0.0076   -0.0121    0.0124    0.0081
 AT. 117 O  X    -0.0059    0.0018    0.0111    0.0025    0.0119   -0.0005
            Y     0.0047   -0.0043   -0.0055    0.0021   -0.0036    0.0026
            Z     0.0071   -0.0009   -0.0097   -0.0018   -0.0133   -0.0022
 AT. 118 O  X     0.0059   -0.0018    0.0111   -0.0025    0.0119   -0.0005
            Y    -0.0047    0.0043   -0.0055   -0.0021   -0.0036    0.0026
            Z     0.0071   -0.0009    0.0097   -0.0018    0.0133    0.0022
 AT. 119 O  X    -0.0059   -0.0018   -0.0111   -0.0025   -0.0119   -0.0005
            Y    -0.0047   -0.0043   -0.0055    0.0021   -0.0036   -0.0026
            Z    -0.0071   -0.0009   -0.0097   -0.0018   -0.0133    0.0022
 AT. 120 O  X     0.0059    0.0018   -0.0111    0.0025   -0.0119   -0.0005
            Y     0.0047    0.0043   -0.0055   -0.0021   -0.0036   -0.0026
            Z    -0.0071   -0.0009    0.0097   -0.0018    0.0133   -0.0022
 AT. 121 O  X     0.0059   -0.0018   -0.0111    0.0025    0.0119    0.0005
            Y    -0.0047    0.0043    0.0055    0.0021   -0.0036   -0.0026
            Z    -0.0071    0.0009    0.0097   -0.0018   -0.0133    0.0022
 AT. 122 O  X    -0.0059    0.0018   -0.0111   -0.0025    0.0119    0.0005
            Y     0.0047   -0.0043    0.0055   -0.0021   -0.0036   -0.0026
            Z    -0.0071    0.0009   -0.0097   -0.0018    0.0133   -0.0022
 AT. 123 O  X     0.0059    0.0018    0.0111   -0.0025   -0.0119    0.0005
            Y     0.0047    0.0043    0.0055    0.0021   -0.0036    0.0026
            Z     0.0071    0.0009    0.0097   -0.0018   -0.0133   -0.0022
 AT. 124 O  X    -0.0059   -0.0018    0.0111    0.0025   -0.0119    0.0005
            Y    -0.0047   -0.0043    0.0055   -0.0021   -0.0036    0.0026
            Z     0.0071    0.0009   -0.0097   -0.0018    0.0133    0.0022

 FREQ(CM**-1)    267.07    267.87    268.55    269.45    270.17    270.44

 AT.   1 SI X     0.0045   -0.0030   -0.0103    0.0035    0.0061   -0.0115
            Y    -0.0003    0.0046   -0.0044    0.0020   -0.0081    0.0011
            Z    -0.0082   -0.0045   -0.0134   -0.0069    0.0032   -0.0035
 AT.   2 SI X    -0.0045    0.0030    0.0103   -0.0035    0.0061    0.0115
            Y     0.0003   -0.0046    0.0044   -0.0020   -0.0081   -0.0011
            Z    -0.0082   -0.0045   -0.0134   -0.0069   -0.0032   -0.0035
 AT.   3 SI X     0.0045   -0.0030    0.0103   -0.0035    0.0061   -0.0115
            Y     0.0003   -0.0046   -0.0044    0.0020    0.0081   -0.0011
            Z     0.0082    0.0045   -0.0134   -0.0069   -0.0032    0.0035
 AT.   4 SI X    -0.0045    0.0030   -0.0103    0.0035    0.0061    0.0115
            Y    -0.0003    0.0046    0.0044   -0.0020    0.0081    0.0011
            Z     0.0082    0.0045   -0.0134   -0.0069    0.0032    0.0035
 AT.   5 SI X    -0.0045   -0.0030    0.0103    0.0035    0.0061    0.0115
            Y     0.0003    0.0046    0.0044    0.0020   -0.0081   -0.0011
            Z     0.0082   -0.0045    0.0134   -0.0069    0.0032    0.0035
 AT.   6 SI X     0.0045    0.0030   -0.0103   -0.0035    0.0061   -0.0115
            Y    -0.0003   -0.0046   -0.0044   -0.0020   -0.0081    0.0011
            Z     0.0082   -0.0045    0.0134   -0.0069   -0.0032    0.0035
 AT.   7 SI X    -0.0045   -0.0030   -0.0103   -0.0035    0.0061    0.0115
            Y    -0.0003   -0.0046    0.0044    0.0020    0.0081    0.0011
            Z    -0.0082    0.0045    0.0134   -0.0069   -0.0032   -0.0035
 AT.   8 SI X     0.0045    0.0030    0.0103    0.0035    0.0061   -0.0115
            Y     0.0003    0.0046   -0.0044   -0.0020    0.0081   -0.0011
            Z    -0.0082    0.0045    0.0134   -0.0069    0.0032   -0.0035
 AT.   9 SI X    -0.0039    0.0050    0.0013   -0.0048   -0.0061    0.0050
            Y    -0.0067   -0.0082   -0.0059   -0.0009    0.0108   -0.0041
            Z     0.0074   -0.0010    0.0023    0.0027   -0.0027    0.0029
 AT.  10 SI X     0.0039   -0.0050   -0.0013    0.0048   -0.0061   -0.0050
            Y     0.0067    0.0082    0.0059    0.0009    0.0108    0.0041
            Z     0.0074   -0.0010    0.0023    0.0027    0.0027    0.0029
 AT.  11 SI X    -0.0039    0.0050   -0.0013    0.0048   -0.0061    0.0050
            Y     0.0067    0.0082   -0.0059   -0.0009   -0.0108    0.0041
            Z    -0.0074    0.0010    0.0023    0.0027    0.0027   -0.0029
 AT.  12 SI X     0.0039   -0.0050    0.0013   -0.0048   -0.0061   -0.0050
            Y    -0.0067   -0.0082    0.0059    0.0009   -0.0108   -0.0041
            Z    -0.0074    0.0010    0.0023    0.0027   -0.0027   -0.0029
 AT.  13 SI X     0.0039    0.0050   -0.0013   -0.0048   -0.0061   -0.0050
            Y     0.0067   -0.0082    0.0059   -0.0009    0.0108    0.0041
            Z    -0.0074   -0.0010   -0.0023    0.0027   -0.0027   -0.0029
 AT.  14 SI X    -0.0039   -0.0050    0.0013    0.0048   -0.0061    0.0050
            Y    -0.0067    0.0082   -0.0059    0.0009    0.0108   -0.0041
            Z    -0.0074   -0.0010   -0.0023    0.0027    0.0027   -0.0029
 AT.  15 SI X     0.0039    0.0050    0.0013    0.0048   -0.0061   -0.0050
            Y    -0.0067    0.0082    0.0059   -0.0009   -0.0108   -0.0041
            Z     0.0074    0.0010   -0.0023    0.0027    0.0027    0.0029
 AT.  16 SI X    -0.0039   -0.0050   -0.0013   -0.0048   -0.0061    0.0050
            Y     0.0067   -0.0082   -0.0059    0.0009   -0.0108    0.0041
            Z     0.0074    0.0010   -0.0023    0.0027   -0.0027    0.0029
 AT.  17 SI X     0.0000    0.0000    0.0074    0.0018   -0.0062    0.0000
            Y    -0.0065   -0.0009    0.0000    0.0000    0.0000   -0.0072
            Z     0.0000    0.0000   -0.0030    0.0001    0.0000    0.0000
 AT.  18 SI X     0.0000    0.0000   -0.0074   -0.0018   -0.0062    0.0000
            Y     0.0065    0.0009    0.0000    0.0000    0.0000    0.0072
            Z     0.0000    0.0000   -0.0030    0.0001    0.0000    0.0000
 AT.  19 SI X     0.0000    0.0000   -0.0074    0.0018   -0.0062    0.0000
            Y     0.0065   -0.0009    0.0000    0.0000    0.0000    0.0072
            Z     0.0000    0.0000    0.0030    0.0001    0.0000    0.0000
 AT.  20 SI X     0.0000    0.0000    0.0074   -0.0018   -0.0062    0.0000
            Y    -0.0065    0.0009    0.0000    0.0000    0.0000   -0.0072
            Z     0.0000    0.0000    0.0030    0.0001    0.0000    0.0000
 AT.  21 CA X     0.0077    0.0057    0.0085   -0.0037   -0.0122   -0.0095
            Y     0.0101    0.0039   -0.0025   -0.0126   -0.0060   -0.0061
            Z     0.0004   -0.0021   -0.0034    0.0134    0.0057    0.0069
 AT.  22 CA X    -0.0077   -0.0057   -0.0085    0.0037   -0.0122    0.0095
            Y    -0.0101   -0.0039    0.0025    0.0126   -0.0060    0.0061
            Z     0.0004   -0.0021   -0.0034    0.0134   -0.0057    0.0069
 AT.  23 CA X     0.0077    0.0057   -0.0085    0.0037   -0.0122   -0.0095
            Y    -0.0101   -0.0039   -0.0025   -0.0126    0.0060    0.0061
            Z    -0.0004    0.0021   -0.0034    0.0134   -0.0057   -0.0069
 AT.  24 CA X    -0.0077   -0.0057    0.0085   -0.0037   -0.0122    0.0095
            Y     0.0101    0.0039    0.0025    0.0126    0.0060   -0.0061
            Z    -0.0004    0.0021   -0.0034    0.0134    0.0057   -0.0069
 AT.  25 CA X    -0.0077    0.0057   -0.0085   -0.0037   -0.0122    0.0095
            Y    -0.0101    0.0039    0.0025   -0.0126   -0.0060    0.0061
            Z    -0.0004   -0.0021    0.0034    0.0134    0.0057   -0.0069
 AT.  26 CA X     0.0077   -0.0057    0.0085    0.0037   -0.0122   -0.0095
            Y     0.0101   -0.0039   -0.0025    0.0126   -0.0060   -0.0061
            Z    -0.0004   -0.0021    0.0034    0.0134   -0.0057   -0.0069
 AT.  27 CA X    -0.0077    0.0057    0.0085    0.0037   -0.0122    0.0095
            Y     0.0101   -0.0039    0.0025   -0.0126    0.0060   -0.0061
            Z     0.0004    0.0021    0.0034    0.0134   -0.0057    0.0069
 AT.  28 CA X     0.0077   -0.0057   -0.0085   -0.0037   -0.0122   -0.0095
            Y    -0.0101    0.0039   -0.0025    0.0126    0.0060    0.0061
            Z     0.0004    0.0021    0.0034    0.0134    0.0057    0.0069
 AT.  29 CA X     0.0000    0.0052    0.0000   -0.0095   -0.0044    0.0000
            Y     0.0000   -0.0122    0.0000    0.0103    0.0103    0.0000
            Z     0.0000   -0.0035    0.0000   -0.0036    0.0072    0.0000
 AT.  30 CA X     0.0000   -0.0052    0.0000    0.0095   -0.0044    0.0000
            Y     0.0000    0.0122    0.0000   -0.0103    0.0103    0.0000
            Z     0.0000   -0.0035    0.0000   -0.0036   -0.0072    0.0000
 AT.  31 CA X     0.0000    0.0052    0.0000    0.0095   -0.0044    0.0000
            Y     0.0000    0.0122    0.0000    0.0103   -0.0103    0.0000
            Z     0.0000    0.0035    0.0000   -0.0036   -0.0072    0.0000
 AT.  32 CA X     0.0000   -0.0052    0.0000   -0.0095   -0.0044    0.0000
            Y     0.0000   -0.0122    0.0000   -0.0103   -0.0103    0.0000
            Z     0.0000    0.0035    0.0000   -0.0036    0.0072    0.0000
 AT.  33 CA X     0.0019   -0.0032    0.0034    0.0006    0.0010    0.0041
            Y     0.0012    0.0051    0.0017    0.0010   -0.0048   -0.0011
            Z     0.0005    0.0041    0.0011   -0.0013   -0.0008   -0.0016
 AT.  34 CA X    -0.0019    0.0032   -0.0034   -0.0006    0.0010   -0.0041
            Y    -0.0012   -0.0051   -0.0017   -0.0010   -0.0048    0.0011
            Z     0.0005    0.0041    0.0011   -0.0013    0.0008   -0.0016
 AT.  35 CA X     0.0019   -0.0032   -0.0034   -0.0006    0.0010    0.0041
            Y    -0.0012   -0.0051    0.0017    0.0010    0.0048    0.0011
            Z    -0.0005   -0.0041    0.0011   -0.0013    0.0008    0.0016
 AT.  36 CA X    -0.0019    0.0032    0.0034    0.0006    0.0010   -0.0041
            Y     0.0012    0.0051   -0.0017   -0.0010    0.0048   -0.0011
            Z    -0.0005   -0.0041    0.0011   -0.0013   -0.0008    0.0016
 AT.  37 CA X    -0.0019   -0.0032   -0.0034    0.0006    0.0010   -0.0041
            Y    -0.0012    0.0051   -0.0017    0.0010   -0.0048    0.0011
            Z    -0.0005    0.0041   -0.0011   -0.0013   -0.0008    0.0016
 AT.  38 CA X     0.0019    0.0032    0.0034   -0.0006    0.0010    0.0041
            Y     0.0012   -0.0051    0.0017   -0.0010   -0.0048   -0.0011
            Z    -0.0005    0.0041   -0.0011   -0.0013    0.0008    0.0016
 AT.  39 CA X    -0.0019   -0.0032    0.0034   -0.0006    0.0010   -0.0041
            Y     0.0012   -0.0051   -0.0017    0.0010    0.0048   -0.0011
            Z     0.0005   -0.0041   -0.0011   -0.0013    0.0008   -0.0016
 AT.  40 CA X     0.0019    0.0032   -0.0034    0.0006    0.0010    0.0041
            Y    -0.0012    0.0051    0.0017   -0.0010    0.0048    0.0011
            Z     0.0005   -0.0041   -0.0011   -0.0013   -0.0008   -0.0016
 AT.  41 CA X    -0.0048   -0.0094   -0.0049   -0.0050    0.0166    0.0116
            Y     0.0069   -0.0073    0.0031   -0.0056    0.0053    0.0193
            Z    -0.0036   -0.0098    0.0088   -0.0010   -0.0013    0.0013
 AT.  42 CA X     0.0048    0.0094    0.0049    0.0050    0.0166   -0.0116
            Y    -0.0069    0.0073   -0.0031    0.0056    0.0053   -0.0193
            Z    -0.0036   -0.0098    0.0088   -0.0010    0.0013    0.0013
 AT.  43 CA X    -0.0048   -0.0094    0.0049    0.0050    0.0166    0.0116
            Y    -0.0069    0.0073    0.0031   -0.0056   -0.0053   -0.0193
            Z     0.0036    0.0098    0.0088   -0.0010    0.0013   -0.0013
 AT.  44 CA X     0.0048    0.0094   -0.0049   -0.0050    0.0166   -0.0116
            Y     0.0069   -0.0073   -0.0031    0.0056   -0.0053    0.0193
            Z     0.0036    0.0098    0.0088   -0.0010   -0.0013   -0.0013
 AT.  45 CA X     0.0048   -0.0094    0.0049   -0.0050    0.0166   -0.0116
            Y    -0.0069   -0.0073   -0.0031   -0.0056    0.0053   -0.0193
            Z     0.0036   -0.0098   -0.0088   -0.0010   -0.0013   -0.0013
 AT.  46 CA X    -0.0048    0.0094   -0.0049    0.0050    0.0166    0.0116
            Y     0.0069    0.0073    0.0031    0.0056    0.0053    0.0193
            Z     0.0036   -0.0098   -0.0088   -0.0010    0.0013   -0.0013
 AT.  47 CA X     0.0048   -0.0094   -0.0049    0.0050    0.0166   -0.0116
            Y     0.0069    0.0073   -0.0031   -0.0056   -0.0053    0.0193
            Z    -0.0036    0.0098   -0.0088   -0.0010    0.0013    0.0013
 AT.  48 CA X    -0.0048    0.0094    0.0049   -0.0050    0.0166    0.0116
            Y    -0.0069   -0.0073    0.0031    0.0056   -0.0053   -0.0193
            Z    -0.0036    0.0098   -0.0088   -0.0010   -0.0013    0.0013
 AT.  49 CA X     0.0000    0.0000   -0.0030   -0.0010    0.0013    0.0000
            Y     0.0252   -0.0192    0.0000    0.0000    0.0000    0.0004
            Z     0.0000    0.0000    0.0011   -0.0017    0.0043    0.0000
 AT.  50 CA X     0.0000    0.0000    0.0030    0.0010    0.0013    0.0000
            Y    -0.0252    0.0192    0.0000    0.0000    0.0000   -0.0004
            Z     0.0000    0.0000    0.0011   -0.0017   -0.0043    0.0000
 AT.  51 CA X     0.0000    0.0000    0.0030   -0.0010    0.0013    0.0000
            Y    -0.0252   -0.0192    0.0000    0.0000    0.0000   -0.0004
            Z     0.0000    0.0000   -0.0011   -0.0017    0.0043    0.0000
 AT.  52 CA X     0.0000    0.0000   -0.0030    0.0010    0.0013    0.0000
            Y     0.0252    0.0192    0.0000    0.0000    0.0000    0.0004
            Z     0.0000    0.0000   -0.0011   -0.0017   -0.0043    0.0000
 AT.  53 O  X     0.0007    0.0064   -0.0100    0.0086    0.0011   -0.0095
            Y     0.0008    0.0003   -0.0037    0.0024   -0.0051   -0.0006
            Z    -0.0172   -0.0130    0.0024    0.0094    0.0001    0.0012
 AT.  54 O  X    -0.0007   -0.0064    0.0100   -0.0086    0.0011    0.0095
            Y    -0.0008   -0.0003    0.0037   -0.0024   -0.0051    0.0006
            Z    -0.0172   -0.0130    0.0024    0.0094   -0.0001    0.0012
 AT.  55 O  X     0.0007    0.0064    0.0100   -0.0086    0.0011   -0.0095
            Y    -0.0008   -0.0003   -0.0037    0.0024    0.0051    0.0006
            Z     0.0172    0.0130    0.0024    0.0094   -0.0001   -0.0012
 AT.  56 O  X    -0.0007   -0.0064   -0.0100    0.0086    0.0011    0.0095
            Y     0.0008    0.0003    0.0037   -0.0024    0.0051   -0.0006
            Z     0.0172    0.0130    0.0024    0.0094    0.0001   -0.0012
 AT.  57 O  X    -0.0007    0.0064    0.0100    0.0086    0.0011    0.0095
            Y    -0.0008    0.0003    0.0037    0.0024   -0.0051    0.0006
            Z     0.0172   -0.0130   -0.0024    0.0094    0.0001   -0.0012
 AT.  58 O  X     0.0007   -0.0064   -0.0100   -0.0086    0.0011   -0.0095
            Y     0.0008   -0.0003   -0.0037   -0.0024   -0.0051   -0.0006
            Z     0.0172   -0.0130   -0.0024    0.0094   -0.0001   -0.0012
 AT.  59 O  X    -0.0007    0.0064   -0.0100   -0.0086    0.0011    0.0095
            Y     0.0008   -0.0003    0.0037    0.0024    0.0051   -0.0006
            Z    -0.0172    0.0130   -0.0024    0.0094   -0.0001    0.0012
 AT.  60 O  X     0.0007   -0.0064    0.0100    0.0086    0.0011   -0.0095
            Y    -0.0008    0.0003   -0.0037   -0.0024    0.0051    0.0006
            Z    -0.0172    0.0130   -0.0024    0.0094    0.0001    0.0012
 AT.  61 O  X     0.0089   -0.0153    0.0008    0.0042    0.0131   -0.0032
            Y    -0.0084   -0.0133    0.0034    0.0138   -0.0046   -0.0009
            Z    -0.0010    0.0022   -0.0099   -0.0122    0.0016    0.0032
 AT.  62 O  X    -0.0089    0.0153   -0.0008   -0.0042    0.0131    0.0032
            Y     0.0084    0.0133   -0.0034   -0.0138   -0.0046    0.0009
            Z    -0.0010    0.0022   -0.0099   -0.0122   -0.0016    0.0032
 AT.  63 O  X     0.0089   -0.0153   -0.0008   -0.0042    0.0131   -0.0032
            Y     0.0084    0.0133    0.0034    0.0138    0.0046    0.0009
            Z     0.0010   -0.0022   -0.0099   -0.0122   -0.0016   -0.0032
 AT.  64 O  X    -0.0089    0.0153    0.0008    0.0042    0.0131    0.0032
            Y    -0.0084   -0.0133   -0.0034   -0.0138    0.0046   -0.0009
            Z     0.0010   -0.0022   -0.0099   -0.0122    0.0016   -0.0032
 AT.  65 O  X    -0.0089   -0.0153   -0.0008    0.0042    0.0131    0.0032
            Y     0.0084   -0.0133   -0.0034    0.0138   -0.0046    0.0009
            Z     0.0010    0.0022    0.0099   -0.0122    0.0016   -0.0032
 AT.  66 O  X     0.0089    0.0153    0.0008   -0.0042    0.0131   -0.0032
            Y    -0.0084    0.0133    0.0034   -0.0138   -0.0046   -0.0009
            Z     0.0010    0.0022    0.0099   -0.0122   -0.0016   -0.0032
 AT.  67 O  X    -0.0089   -0.0153    0.0008   -0.0042    0.0131    0.0032
            Y    -0.0084    0.0133   -0.0034    0.0138    0.0046   -0.0009
            Z    -0.0010   -0.0022    0.0099   -0.0122   -0.0016    0.0032
 AT.  68 O  X     0.0089    0.0153   -0.0008    0.0042    0.0131   -0.0032
            Y     0.0084   -0.0133    0.0034   -0.0138    0.0046    0.0009
            Z    -0.0010   -0.0022    0.0099   -0.0122    0.0016    0.0032
 AT.  69 O  X     0.0043   -0.0031   -0.0202   -0.0043    0.0064   -0.0193
            Y     0.0160    0.0114   -0.0055   -0.0152   -0.0047    0.0038
            Z     0.0020    0.0011   -0.0100   -0.0108    0.0033    0.0011
 AT.  70 O  X    -0.0043    0.0031    0.0202    0.0043    0.0064    0.0193
            Y    -0.0160   -0.0114    0.0055    0.0152   -0.0047   -0.0038
            Z     0.0020    0.0011   -0.0100   -0.0108   -0.0033    0.0011
 AT.  71 O  X     0.0043   -0.0031    0.0202    0.0043    0.0064   -0.0193
            Y    -0.0160   -0.0114   -0.0055   -0.0152    0.0047   -0.0038
            Z    -0.0020   -0.0011   -0.0100   -0.0108   -0.0033   -0.0011
 AT.  72 O  X    -0.0043    0.0031   -0.0202   -0.0043    0.0064    0.0193
            Y     0.0160    0.0114    0.0055    0.0152    0.0047    0.0038
            Z    -0.0020   -0.0011   -0.0100   -0.0108    0.0033   -0.0011
 AT.  73 O  X    -0.0043   -0.0031    0.0202   -0.0043    0.0064    0.0193
            Y    -0.0160    0.0114    0.0055   -0.0152   -0.0047   -0.0038
            Z    -0.0020    0.0011    0.0100   -0.0108    0.0033   -0.0011
 AT.  74 O  X     0.0043    0.0031   -0.0202    0.0043    0.0064   -0.0193
            Y     0.0160   -0.0114   -0.0055    0.0152   -0.0047    0.0038
            Z    -0.0020    0.0011    0.0100   -0.0108   -0.0033   -0.0011
 AT.  75 O  X    -0.0043   -0.0031   -0.0202    0.0043    0.0064    0.0193
            Y     0.0160   -0.0114    0.0055   -0.0152    0.0047    0.0038
            Z     0.0020   -0.0011    0.0100   -0.0108   -0.0033    0.0011
 AT.  76 O  X     0.0043    0.0031    0.0202   -0.0043    0.0064   -0.0193
            Y    -0.0160    0.0114   -0.0055    0.0152    0.0047   -0.0038
            Z     0.0020   -0.0011    0.0100   -0.0108    0.0033    0.0011
 AT.  77 O  X     0.0045   -0.0036   -0.0114    0.0038    0.0069   -0.0122
            Y    -0.0163    0.0164   -0.0038    0.0212   -0.0088   -0.0030
            Z    -0.0047    0.0077   -0.0247   -0.0047   -0.0070   -0.0102
 AT.  78 O  X    -0.0045    0.0036    0.0114   -0.0038    0.0069    0.0122
            Y     0.0163   -0.0164    0.0038   -0.0212   -0.0088    0.0030
            Z    -0.0047    0.0077   -0.0247   -0.0047    0.0070   -0.0102
 AT.  79 O  X     0.0045   -0.0036    0.0114   -0.0038    0.0069   -0.0122
            Y     0.0163   -0.0164   -0.0038    0.0212    0.0088    0.0030
            Z     0.0047   -0.0077   -0.0247   -0.0047    0.0070    0.0102
 AT.  80 O  X    -0.0045    0.0036   -0.0114    0.0038    0.0069    0.0122
            Y    -0.0163    0.0164    0.0038   -0.0212    0.0088   -0.0030
            Z     0.0047   -0.0077   -0.0247   -0.0047   -0.0070    0.0102
 AT.  81 O  X    -0.0045   -0.0036    0.0114    0.0038    0.0069    0.0122
            Y     0.0163    0.0164    0.0038    0.0212   -0.0088    0.0030
            Z     0.0047    0.0077    0.0247   -0.0047   -0.0070    0.0102
 AT.  82 O  X     0.0045    0.0036   -0.0114   -0.0038    0.0069   -0.0122
            Y    -0.0163   -0.0164   -0.0038   -0.0212   -0.0088   -0.0030
            Z     0.0047    0.0077    0.0247   -0.0047    0.0070    0.0102
 AT.  83 O  X    -0.0045   -0.0036   -0.0114   -0.0038    0.0069    0.0122
            Y    -0.0163   -0.0164    0.0038    0.0212    0.0088   -0.0030
            Z    -0.0047   -0.0077    0.0247   -0.0047    0.0070   -0.0102
 AT.  84 O  X     0.0045    0.0036    0.0114    0.0038    0.0069   -0.0122
            Y     0.0163    0.0164   -0.0038   -0.0212    0.0088    0.0030
            Z    -0.0047   -0.0077    0.0247   -0.0047   -0.0070   -0.0102
 AT.  85 O  X    -0.0117    0.0071   -0.0073   -0.0109   -0.0007    0.0057
            Y    -0.0096   -0.0008   -0.0076    0.0040    0.0135   -0.0142
            Z     0.0041   -0.0030   -0.0011   -0.0031   -0.0011    0.0084
 AT.  86 O  X     0.0117   -0.0071    0.0073    0.0109   -0.0007   -0.0057
            Y     0.0096    0.0008    0.0076   -0.0040    0.0135    0.0142
            Z     0.0041   -0.0030   -0.0011   -0.0031    0.0011    0.0084
 AT.  87 O  X    -0.0117    0.0071    0.0073    0.0109   -0.0007    0.0057
            Y     0.0096    0.0008   -0.0076    0.0040   -0.0135    0.0142
            Z    -0.0041    0.0030   -0.0011   -0.0031    0.0011   -0.0084
 AT.  88 O  X     0.0117   -0.0071   -0.0073   -0.0109   -0.0007   -0.0057
            Y    -0.0096   -0.0008    0.0076   -0.0040   -0.0135   -0.0142
            Z    -0.0041    0.0030   -0.0011   -0.0031   -0.0011   -0.0084
 AT.  89 O  X     0.0117    0.0071    0.0073   -0.0109   -0.0007   -0.0057
            Y     0.0096   -0.0008    0.0076    0.0040    0.0135    0.0142
            Z    -0.0041   -0.0030    0.0011   -0.0031   -0.0011   -0.0084
 AT.  90 O  X    -0.0117   -0.0071   -0.0073    0.0109   -0.0007    0.0057
            Y    -0.0096    0.0008   -0.0076   -0.0040    0.0135   -0.0142
            Z    -0.0041   -0.0030    0.0011   -0.0031    0.0011   -0.0084
 AT.  91 O  X     0.0117    0.0071   -0.0073    0.0109   -0.0007   -0.0057
            Y    -0.0096    0.0008    0.0076    0.0040   -0.0135   -0.0142
            Z     0.0041    0.0030    0.0011   -0.0031    0.0011    0.0084
 AT.  92 O  X    -0.0117   -0.0071    0.0073   -0.0109   -0.0007    0.0057
            Y     0.0096   -0.0008   -0.0076   -0.0040   -0.0135    0.0142
            Z     0.0041    0.0030    0.0011   -0.0031   -0.0011    0.0084
 AT.  93 O  X    -0.0008    0.0059    0.0006   -0.0026   -0.0063    0.0052
            Y    -0.0076   -0.0104   -0.0042   -0.0014    0.0096   -0.0041
            Z     0.0066    0.0104   -0.0054    0.0016    0.0001   -0.0021
 AT.  94 O  X     0.0008   -0.0059   -0.0006    0.0026   -0.0063   -0.0052
            Y     0.0076    0.0104    0.0042    0.0014    0.0096    0.0041
            Z     0.0066    0.0104   -0.0054    0.0016   -0.0001   -0.0021
 AT.  95 O  X    -0.0008    0.0059   -0.0006    0.0026   -0.0063    0.0052
            Y     0.0076    0.0104   -0.0042   -0.0014   -0.0096    0.0041
            Z    -0.0066   -0.0104   -0.0054    0.0016   -0.0001    0.0021
 AT.  96 O  X     0.0008   -0.0059    0.0006   -0.0026   -0.0063   -0.0052
            Y    -0.0076   -0.0104    0.0042    0.0014   -0.0096   -0.0041
            Z    -0.0066   -0.0104   -0.0054    0.0016    0.0001    0.0021
 AT.  97 O  X     0.0008    0.0059   -0.0006   -0.0026   -0.0063   -0.0052
            Y     0.0076   -0.0104    0.0042   -0.0014    0.0096    0.0041
            Z    -0.0066    0.0104    0.0054    0.0016    0.0001    0.0021
 AT.  98 O  X    -0.0008   -0.0059    0.0006    0.0026   -0.0063    0.0052
            Y    -0.0076    0.0104   -0.0042    0.0014    0.0096   -0.0041
            Z    -0.0066    0.0104    0.0054    0.0016   -0.0001    0.0021
 AT.  99 O  X     0.0008    0.0059    0.0006    0.0026   -0.0063   -0.0052
            Y    -0.0076    0.0104    0.0042   -0.0014   -0.0096   -0.0041
            Z     0.0066   -0.0104    0.0054    0.0016   -0.0001   -0.0021
 AT. 100 O  X    -0.0008   -0.0059   -0.0006   -0.0026   -0.0063    0.0052
            Y     0.0076   -0.0104   -0.0042    0.0014   -0.0096    0.0041
            Z     0.0066   -0.0104    0.0054    0.0016    0.0001   -0.0021
 AT. 101 O  X    -0.0016    0.0058    0.0157    0.0046   -0.0168    0.0017
            Y    -0.0114   -0.0085   -0.0072   -0.0114    0.0059   -0.0004
            Z    -0.0012    0.0001   -0.0028   -0.0098   -0.0024    0.0076
 AT. 102 O  X     0.0016   -0.0058   -0.0157   -0.0046   -0.0168   -0.0017
            Y     0.0114    0.0085    0.0072    0.0114    0.0059    0.0004
            Z    -0.0012    0.0001   -0.0028   -0.0098    0.0024    0.0076
 AT. 103 O  X    -0.0016    0.0058   -0.0157   -0.0046   -0.0168    0.0017
            Y     0.0114    0.0085   -0.0072   -0.0114   -0.0059    0.0004
            Z     0.0012   -0.0001   -0.0028   -0.0098    0.0024   -0.0076
 AT. 104 O  X     0.0016   -0.0058    0.0157    0.0046   -0.0168   -0.0017
            Y    -0.0114   -0.0085    0.0072    0.0114   -0.0059   -0.0004
            Z     0.0012   -0.0001   -0.0028   -0.0098   -0.0024   -0.0076
 AT. 105 O  X     0.0016    0.0058   -0.0157    0.0046   -0.0168   -0.0017
            Y     0.0114   -0.0085    0.0072   -0.0114    0.0059    0.0004
            Z     0.0012    0.0001    0.0028   -0.0098   -0.0024   -0.0076
 AT. 106 O  X    -0.0016   -0.0058    0.0157   -0.0046   -0.0168    0.0017
            Y    -0.0114    0.0085   -0.0072    0.0114    0.0059   -0.0004
            Z     0.0012    0.0001    0.0028   -0.0098    0.0024   -0.0076
 AT. 107 O  X     0.0016    0.0058    0.0157   -0.0046   -0.0168   -0.0017
            Y    -0.0114    0.0085    0.0072   -0.0114   -0.0059   -0.0004
            Z    -0.0012   -0.0001    0.0028   -0.0098    0.0024    0.0076
 AT. 108 O  X    -0.0016   -0.0058   -0.0157    0.0046   -0.0168    0.0017
            Y     0.0114   -0.0085   -0.0072    0.0114   -0.0059    0.0004
            Z    -0.0012   -0.0001    0.0028   -0.0098   -0.0024    0.0076
 AT. 109 O  X    -0.0049    0.0060    0.0017   -0.0055   -0.0069    0.0050
            Y    -0.0036   -0.0098    0.0004    0.0067    0.0009   -0.0073
            Z     0.0049   -0.0021    0.0161    0.0126   -0.0039   -0.0075
 AT. 110 O  X     0.0049   -0.0060   -0.0017    0.0055   -0.0069   -0.0050
            Y     0.0036    0.0098   -0.0004   -0.0067    0.0009    0.0073
            Z     0.0049   -0.0021    0.0161    0.0126    0.0039   -0.0075
 AT. 111 O  X    -0.0049    0.0060   -0.0017    0.0055   -0.0069    0.0050
            Y     0.0036    0.0098    0.0004    0.0067   -0.0009    0.0073
            Z    -0.0049    0.0021    0.0161    0.0126    0.0039    0.0075
 AT. 112 O  X     0.0049   -0.0060    0.0017   -0.0055   -0.0069   -0.0050
            Y    -0.0036   -0.0098   -0.0004   -0.0067   -0.0009   -0.0073
            Z    -0.0049    0.0021    0.0161    0.0126   -0.0039    0.0075
 AT. 113 O  X     0.0049    0.0060   -0.0017   -0.0055   -0.0069   -0.0050
            Y     0.0036   -0.0098   -0.0004    0.0067    0.0009    0.0073
            Z    -0.0049   -0.0021   -0.0161    0.0126   -0.0039    0.0075
 AT. 114 O  X    -0.0049   -0.0060    0.0017    0.0055   -0.0069    0.0050
            Y    -0.0036    0.0098    0.0004   -0.0067    0.0009   -0.0073
            Z    -0.0049   -0.0021   -0.0161    0.0126    0.0039    0.0075
 AT. 115 O  X     0.0049    0.0060    0.0017    0.0055   -0.0069   -0.0050
            Y    -0.0036    0.0098   -0.0004    0.0067   -0.0009   -0.0073
            Z     0.0049    0.0021   -0.0161    0.0126    0.0039   -0.0075
 AT. 116 O  X    -0.0049   -0.0060   -0.0017   -0.0055   -0.0069    0.0050
            Y     0.0036   -0.0098    0.0004   -0.0067   -0.0009    0.0073
            Z     0.0049    0.0021   -0.0161    0.0126   -0.0039   -0.0075
 AT. 117 O  X    -0.0081    0.0031   -0.0010   -0.0015   -0.0012   -0.0026
            Y    -0.0056    0.0030    0.0059   -0.0011   -0.0123   -0.0029
            Z     0.0064   -0.0049   -0.0001    0.0030    0.0058   -0.0016
 AT. 118 O  X     0.0081   -0.0031    0.0010    0.0015   -0.0012    0.0026
            Y     0.0056   -0.0030   -0.0059    0.0011   -0.0123    0.0029
            Z     0.0064   -0.0049   -0.0001    0.0030   -0.0058   -0.0016
 AT. 119 O  X    -0.0081    0.0031    0.0010    0.0015   -0.0012   -0.0026
            Y     0.0056   -0.0030    0.0059   -0.0011    0.0123    0.0029
            Z    -0.0064    0.0049   -0.0001    0.0030   -0.0058    0.0016
 AT. 120 O  X     0.0081   -0.0031   -0.0010   -0.0015   -0.0012    0.0026
            Y    -0.0056    0.0030   -0.0059    0.0011    0.0123   -0.0029
            Z    -0.0064    0.0049   -0.0001    0.0030    0.0058    0.0016
 AT. 121 O  X     0.0081    0.0031    0.0010   -0.0015   -0.0012    0.0026
            Y     0.0056    0.0030   -0.0059   -0.0011   -0.0123    0.0029
            Z    -0.0064   -0.0049    0.0001    0.0030    0.0058    0.0016
 AT. 122 O  X    -0.0081   -0.0031   -0.0010    0.0015   -0.0012   -0.0026
            Y    -0.0056   -0.0030    0.0059    0.0011   -0.0123   -0.0029
            Z    -0.0064   -0.0049    0.0001    0.0030   -0.0058    0.0016
 AT. 123 O  X     0.0081    0.0031   -0.0010    0.0015   -0.0012    0.0026
            Y    -0.0056   -0.0030   -0.0059   -0.0011    0.0123   -0.0029
            Z     0.0064    0.0049    0.0001    0.0030   -0.0058   -0.0016
 AT. 124 O  X    -0.0081   -0.0031    0.0010   -0.0015   -0.0012   -0.0026
            Y     0.0056    0.0030    0.0059    0.0011    0.0123    0.0029
            Z     0.0064    0.0049    0.0001    0.0030    0.0058   -0.0016

 FREQ(CM**-1)    271.54    273.61    274.24    275.12    275.24    275.25

 AT.   1 SI X     0.0001    0.0082   -0.0107    0.0062   -0.0136   -0.0060
            Y    -0.0032   -0.0039    0.0080   -0.0035    0.0062    0.0078
            Z     0.0030   -0.0079    0.0073   -0.0052    0.0025    0.0026
 AT.   2 SI X     0.0001   -0.0082    0.0107    0.0062   -0.0136    0.0060
            Y    -0.0032    0.0039   -0.0080   -0.0035    0.0062   -0.0078
            Z    -0.0030   -0.0079    0.0073    0.0052   -0.0025    0.0026
 AT.   3 SI X    -0.0001   -0.0082    0.0107    0.0062    0.0136   -0.0060
            Y    -0.0032   -0.0039    0.0080    0.0035    0.0062   -0.0078
            Z     0.0030   -0.0079    0.0073    0.0052    0.0025   -0.0026
 AT.   4 SI X    -0.0001    0.0082   -0.0107    0.0062    0.0136    0.0060
            Y    -0.0032    0.0039   -0.0080    0.0035    0.0062    0.0078
            Z    -0.0030   -0.0079    0.0073   -0.0052   -0.0025   -0.0026
 AT.   5 SI X     0.0001    0.0082    0.0107    0.0062    0.0136   -0.0060
            Y    -0.0032   -0.0039   -0.0080   -0.0035   -0.0062    0.0078
            Z     0.0030   -0.0079   -0.0073   -0.0052   -0.0025    0.0026
 AT.   6 SI X     0.0001   -0.0082   -0.0107    0.0062    0.0136    0.0060
            Y    -0.0032    0.0039    0.0080   -0.0035   -0.0062   -0.0078
            Z    -0.0030   -0.0079   -0.0073    0.0052    0.0025    0.0026
 AT.   7 SI X    -0.0001   -0.0082   -0.0107    0.0062   -0.0136   -0.0060
            Y    -0.0032   -0.0039   -0.0080    0.0035   -0.0062   -0.0078
            Z     0.0030   -0.0079   -0.0073    0.0052   -0.0025   -0.0026
 AT.   8 SI X    -0.0001    0.0082    0.0107    0.0062   -0.0136    0.0060
            Y    -0.0032    0.0039    0.0080    0.0035   -0.0062    0.0078
            Z    -0.0030   -0.0079   -0.0073   -0.0052    0.0025   -0.0026
 AT.   9 SI X    -0.0016   -0.0070   -0.0001    0.0007    0.0023    0.0048
            Y     0.0064    0.0059    0.0092   -0.0058    0.0032   -0.0005
            Z    -0.0061    0.0018   -0.0026    0.0011    0.0009    0.0041
 AT.  10 SI X    -0.0016    0.0070    0.0001    0.0007    0.0023   -0.0048
            Y     0.0064   -0.0059   -0.0092   -0.0058    0.0032    0.0005
            Z     0.0061    0.0018   -0.0026   -0.0011   -0.0009    0.0041
 AT.  11 SI X     0.0016    0.0070    0.0001    0.0007   -0.0023    0.0048
            Y     0.0064    0.0059    0.0092    0.0058    0.0032    0.0005
            Z    -0.0061    0.0018   -0.0026   -0.0011    0.0009   -0.0041
 AT.  12 SI X     0.0016   -0.0070   -0.0001    0.0007   -0.0023   -0.0048
            Y     0.0064   -0.0059   -0.0092    0.0058    0.0032   -0.0005
            Z     0.0061    0.0018   -0.0026    0.0011   -0.0009   -0.0041
 AT.  13 SI X    -0.0016   -0.0070    0.0001    0.0007   -0.0023    0.0048
            Y     0.0064    0.0059   -0.0092   -0.0058   -0.0032   -0.0005
            Z    -0.0061    0.0018    0.0026    0.0011   -0.0009    0.0041
 AT.  14 SI X    -0.0016    0.0070   -0.0001    0.0007   -0.0023   -0.0048
            Y     0.0064   -0.0059    0.0092   -0.0058   -0.0032    0.0005
            Z     0.0061    0.0018    0.0026   -0.0011    0.0009    0.0041
 AT.  15 SI X     0.0016    0.0070   -0.0001    0.0007    0.0023    0.0048
            Y     0.0064    0.0059   -0.0092    0.0058   -0.0032    0.0005
            Z    -0.0061    0.0018    0.0026   -0.0011   -0.0009   -0.0041
 AT.  16 SI X     0.0016   -0.0070    0.0001    0.0007    0.0023   -0.0048
            Y     0.0064   -0.0059    0.0092    0.0058   -0.0032   -0.0005
            Z     0.0061    0.0018    0.0026    0.0011    0.0009   -0.0041
 AT.  17 SI X     0.0000   -0.0037   -0.0113    0.0058    0.0000    0.0000
            Y     0.0059    0.0000    0.0000    0.0000   -0.0024   -0.0039
            Z     0.0000    0.0037   -0.0025    0.0051    0.0000    0.0000
 AT.  18 SI X     0.0000    0.0037    0.0113    0.0058    0.0000    0.0000
            Y     0.0059    0.0000    0.0000    0.0000   -0.0024    0.0039
            Z     0.0000    0.0037   -0.0025   -0.0051    0.0000    0.0000
 AT.  19 SI X     0.0000   -0.0037    0.0113    0.0058    0.0000    0.0000
            Y     0.0059    0.0000    0.0000    0.0000    0.0024   -0.0039
            Z     0.0000    0.0037    0.0025    0.0051    0.0000    0.0000
 AT.  20 SI X     0.0000    0.0037   -0.0113    0.0058    0.0000    0.0000
            Y     0.0059    0.0000    0.0000    0.0000    0.0024    0.0039
            Z     0.0000    0.0037    0.0025   -0.0051    0.0000    0.0000
 AT.  21 CA X     0.0054    0.0047    0.0110   -0.0093    0.0129    0.0106
            Y     0.0132    0.0087    0.0055   -0.0048    0.0022    0.0078
            Z    -0.0061    0.0045    0.0040   -0.0013    0.0028   -0.0011
 AT.  22 CA X     0.0054   -0.0047   -0.0110   -0.0093    0.0129   -0.0106
            Y     0.0132   -0.0087   -0.0055   -0.0048    0.0022   -0.0078
            Z     0.0061    0.0045    0.0040    0.0013   -0.0028   -0.0011
 AT.  23 CA X    -0.0054   -0.0047   -0.0110   -0.0093   -0.0129    0.0106
            Y     0.0132    0.0087    0.0055    0.0048    0.0022   -0.0078
            Z    -0.0061    0.0045    0.0040    0.0013    0.0028    0.0011
 AT.  24 CA X    -0.0054    0.0047    0.0110   -0.0093   -0.0129   -0.0106
            Y     0.0132   -0.0087   -0.0055    0.0048    0.0022    0.0078
            Z     0.0061    0.0045    0.0040   -0.0013   -0.0028    0.0011
 AT.  25 CA X     0.0054    0.0047   -0.0110   -0.0093   -0.0129    0.0106
            Y     0.0132    0.0087   -0.0055   -0.0048   -0.0022    0.0078
            Z    -0.0061    0.0045   -0.0040   -0.0013   -0.0028   -0.0011
 AT.  26 CA X     0.0054   -0.0047    0.0110   -0.0093   -0.0129   -0.0106
            Y     0.0132   -0.0087    0.0055   -0.0048   -0.0022   -0.0078
            Z     0.0061    0.0045   -0.0040    0.0013    0.0028   -0.0011
 AT.  27 CA X    -0.0054   -0.0047    0.0110   -0.0093    0.0129    0.0106
            Y     0.0132    0.0087   -0.0055    0.0048   -0.0022   -0.0078
            Z    -0.0061    0.0045   -0.0040    0.0013   -0.0028    0.0011
 AT.  28 CA X    -0.0054    0.0047   -0.0110   -0.0093    0.0129   -0.0106
            Y     0.0132   -0.0087    0.0055    0.0048   -0.0022    0.0078
            Z     0.0061    0.0045   -0.0040   -0.0013    0.0028    0.0011
 AT.  29 CA X     0.0045   -0.0113    0.0000   -0.0054    0.0000    0.0000
            Y    -0.0108   -0.0041    0.0000   -0.0088    0.0000    0.0028
            Z     0.0058    0.0111    0.0000    0.0082    0.0000   -0.0070
 AT.  30 CA X     0.0045    0.0113    0.0000   -0.0054    0.0000    0.0000
            Y    -0.0108    0.0041    0.0000   -0.0088    0.0000   -0.0028
            Z    -0.0058    0.0111    0.0000   -0.0082    0.0000   -0.0070
 AT.  31 CA X    -0.0045    0.0113    0.0000   -0.0054    0.0000    0.0000
            Y    -0.0108   -0.0041    0.0000    0.0088    0.0000   -0.0028
            Z     0.0058    0.0111    0.0000   -0.0082    0.0000    0.0070
 AT.  32 CA X    -0.0045   -0.0113    0.0000   -0.0054    0.0000    0.0000
            Y    -0.0108    0.0041    0.0000    0.0088    0.0000    0.0028
            Z    -0.0058    0.0111    0.0000    0.0082    0.0000    0.0070
 AT.  33 CA X     0.0038    0.0033    0.0092   -0.0071    0.0115    0.0047
            Y    -0.0025   -0.0002   -0.0070    0.0070   -0.0063   -0.0041
            Z     0.0033    0.0044    0.0005    0.0032    0.0001   -0.0072
 AT.  34 CA X     0.0038   -0.0033   -0.0092   -0.0071    0.0115   -0.0047
            Y    -0.0025    0.0002    0.0070    0.0070   -0.0063    0.0041
            Z    -0.0033    0.0044    0.0005   -0.0032   -0.0001   -0.0072
 AT.  35 CA X    -0.0038   -0.0033   -0.0092   -0.0071   -0.0115    0.0047
            Y    -0.0025   -0.0002   -0.0070   -0.0070   -0.0063    0.0041
            Z     0.0033    0.0044    0.0005   -0.0032    0.0001    0.0072
 AT.  36 CA X    -0.0038    0.0033    0.0092   -0.0071   -0.0115   -0.0047
            Y    -0.0025    0.0002    0.0070   -0.0070   -0.0063   -0.0041
            Z    -0.0033    0.0044    0.0005    0.0032   -0.0001    0.0072
 AT.  37 CA X     0.0038    0.0033   -0.0092   -0.0071   -0.0115    0.0047
            Y    -0.0025   -0.0002    0.0070    0.0070    0.0063   -0.0041
            Z     0.0033    0.0044   -0.0005    0.0032   -0.0001   -0.0072
 AT.  38 CA X     0.0038   -0.0033    0.0092   -0.0071   -0.0115   -0.0047
            Y    -0.0025    0.0002   -0.0070    0.0070    0.0063    0.0041
            Z    -0.0033    0.0044   -0.0005   -0.0032    0.0001   -0.0072
 AT.  39 CA X    -0.0038   -0.0033    0.0092   -0.0071    0.0115    0.0047
            Y    -0.0025   -0.0002    0.0070   -0.0070    0.0063    0.0041
            Z     0.0033    0.0044   -0.0005   -0.0032   -0.0001    0.0072
 AT.  40 CA X    -0.0038    0.0033   -0.0092   -0.0071    0.0115   -0.0047
            Y    -0.0025    0.0002   -0.0070   -0.0070    0.0063   -0.0041
            Z    -0.0033    0.0044   -0.0005    0.0032    0.0001    0.0072
 AT.  41 CA X    -0.0010   -0.0112    0.0111   -0.0065   -0.0035   -0.0090
            Y    -0.0026   -0.0115    0.0007    0.0009   -0.0016   -0.0055
            Z     0.0010   -0.0020   -0.0012    0.0007    0.0101    0.0037
 AT.  42 CA X    -0.0010    0.0112   -0.0111   -0.0065   -0.0035    0.0090
            Y    -0.0026    0.0115   -0.0007    0.0009   -0.0016    0.0055
            Z    -0.0010   -0.0020   -0.0012   -0.0007   -0.0101    0.0037
 AT.  43 CA X     0.0010    0.0112   -0.0111   -0.0065    0.0035   -0.0090
            Y    -0.0026   -0.0115    0.0007   -0.0009   -0.0016    0.0055
            Z     0.0010   -0.0020   -0.0012   -0.0007    0.0101   -0.0037
 AT.  44 CA X     0.0010   -0.0112    0.0111   -0.0065    0.0035    0.0090
            Y    -0.0026    0.0115   -0.0007   -0.0009   -0.0016   -0.0055
            Z    -0.0010   -0.0020   -0.0012    0.0007   -0.0101   -0.0037
 AT.  45 CA X    -0.0010   -0.0112   -0.0111   -0.0065    0.0035   -0.0090
            Y    -0.0026   -0.0115   -0.0007    0.0009    0.0016   -0.0055
            Z     0.0010   -0.0020    0.0012    0.0007   -0.0101    0.0037
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            Y    -0.0026    0.0115    0.0007    0.0009    0.0016    0.0055
            Z    -0.0010   -0.0020    0.0012   -0.0007    0.0101    0.0037
 AT.  47 CA X     0.0010    0.0112    0.0111   -0.0065   -0.0035   -0.0090
            Y    -0.0026   -0.0115   -0.0007   -0.0009    0.0016    0.0055
            Z     0.0010   -0.0020    0.0012   -0.0007   -0.0101   -0.0037
 AT.  48 CA X     0.0010   -0.0112   -0.0111   -0.0065   -0.0035    0.0090
            Y    -0.0026    0.0115    0.0007   -0.0009    0.0016   -0.0055
            Z    -0.0010   -0.0020    0.0012    0.0007    0.0101   -0.0037
 AT.  49 CA X     0.0000    0.0064   -0.0017    0.0030    0.0000    0.0000
            Y    -0.0180    0.0000    0.0000    0.0000    0.0065   -0.0075
            Z     0.0000   -0.0074    0.0012   -0.0029    0.0000    0.0000
 AT.  50 CA X     0.0000   -0.0064    0.0017    0.0030    0.0000    0.0000
            Y    -0.0180    0.0000    0.0000    0.0000    0.0065    0.0075
            Z     0.0000   -0.0074    0.0012    0.0029    0.0000    0.0000
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            Y    -0.0180    0.0000    0.0000    0.0000   -0.0065   -0.0075
            Z     0.0000   -0.0074   -0.0012   -0.0029    0.0000    0.0000
 AT.  52 CA X     0.0000   -0.0064   -0.0017    0.0030    0.0000    0.0000
            Y    -0.0180    0.0000    0.0000    0.0000   -0.0065    0.0075
            Z     0.0000   -0.0074   -0.0012    0.0029    0.0000    0.0000
 AT.  53 O  X    -0.0055    0.0099   -0.0050    0.0089   -0.0090   -0.0070
            Y    -0.0031   -0.0044    0.0043   -0.0043    0.0031    0.0077
            Z    -0.0139   -0.0156    0.0110   -0.0244    0.0132    0.0204
 AT.  54 O  X    -0.0055   -0.0099    0.0050    0.0089   -0.0090    0.0070
            Y    -0.0031    0.0044   -0.0043   -0.0043    0.0031   -0.0077
            Z     0.0139   -0.0156    0.0110    0.0244   -0.0132    0.0204
 AT.  55 O  X     0.0055   -0.0099    0.0050    0.0089    0.0090   -0.0070
            Y    -0.0031   -0.0044    0.0043    0.0043    0.0031   -0.0077
            Z    -0.0139   -0.0156    0.0110    0.0244    0.0132   -0.0204
 AT.  56 O  X     0.0055    0.0099   -0.0050    0.0089    0.0090    0.0070
            Y    -0.0031    0.0044   -0.0043    0.0043    0.0031    0.0077
            Z     0.0139   -0.0156    0.0110   -0.0244   -0.0132   -0.0204
 AT.  57 O  X    -0.0055    0.0099    0.0050    0.0089    0.0090   -0.0070
            Y    -0.0031   -0.0044   -0.0043   -0.0043   -0.0031    0.0077
            Z    -0.0139   -0.0156   -0.0110   -0.0244   -0.0132    0.0204
 AT.  58 O  X    -0.0055   -0.0099   -0.0050    0.0089    0.0090    0.0070
            Y    -0.0031    0.0044    0.0043   -0.0043   -0.0031   -0.0077
            Z     0.0139   -0.0156   -0.0110    0.0244    0.0132    0.0204
 AT.  59 O  X     0.0055   -0.0099   -0.0050    0.0089   -0.0090   -0.0070
            Y    -0.0031   -0.0044   -0.0043    0.0043   -0.0031   -0.0077
            Z    -0.0139   -0.0156   -0.0110    0.0244   -0.0132   -0.0204
 AT.  60 O  X     0.0055    0.0099    0.0050    0.0089   -0.0090    0.0070
            Y    -0.0031    0.0044    0.0043    0.0043   -0.0031    0.0077
            Z     0.0139   -0.0156   -0.0110   -0.0244    0.0132   -0.0204
 AT.  61 O  X    -0.0005    0.0057   -0.0142    0.0051   -0.0113   -0.0075
            Y    -0.0183   -0.0165    0.0087   -0.0225    0.0113    0.0244
            Z     0.0112   -0.0005    0.0036    0.0065    0.0005   -0.0082
 AT.  62 O  X    -0.0005   -0.0057    0.0142    0.0051   -0.0113    0.0075
            Y    -0.0183    0.0165   -0.0087   -0.0225    0.0113   -0.0244
            Z    -0.0112   -0.0005    0.0036   -0.0065   -0.0005   -0.0082
 AT.  63 O  X     0.0005   -0.0057    0.0142    0.0051    0.0113   -0.0075
            Y    -0.0183   -0.0165    0.0087    0.0225    0.0113   -0.0244
            Z     0.0112   -0.0005    0.0036   -0.0065    0.0005    0.0082
 AT.  64 O  X     0.0005    0.0057   -0.0142    0.0051    0.0113    0.0075
            Y    -0.0183    0.0165   -0.0087    0.0225    0.0113    0.0244
            Z    -0.0112   -0.0005    0.0036    0.0065   -0.0005    0.0082
 AT.  65 O  X    -0.0005    0.0057    0.0142    0.0051    0.0113   -0.0075
            Y    -0.0183   -0.0165   -0.0087   -0.0225   -0.0113    0.0244
            Z     0.0112   -0.0005   -0.0036    0.0065   -0.0005   -0.0082
 AT.  66 O  X    -0.0005   -0.0057   -0.0142    0.0051    0.0113    0.0075
            Y    -0.0183    0.0165    0.0087   -0.0225   -0.0113   -0.0244
            Z    -0.0112   -0.0005   -0.0036   -0.0065    0.0005   -0.0082
 AT.  67 O  X     0.0005   -0.0057   -0.0142    0.0051   -0.0113   -0.0075
            Y    -0.0183   -0.0165   -0.0087    0.0225   -0.0113   -0.0244
            Z     0.0112   -0.0005   -0.0036   -0.0065   -0.0005    0.0082
 AT.  68 O  X     0.0005    0.0057    0.0142    0.0051   -0.0113    0.0075
            Y    -0.0183    0.0165    0.0087    0.0225   -0.0113    0.0244
            Z    -0.0112   -0.0005   -0.0036    0.0065    0.0005    0.0082
 AT.  69 O  X     0.0063    0.0105   -0.0144    0.0087   -0.0209   -0.0045
            Y     0.0168    0.0072   -0.0031    0.0149   -0.0040   -0.0095
            Z     0.0106    0.0001    0.0014    0.0051   -0.0014   -0.0070
 AT.  70 O  X     0.0063   -0.0105    0.0144    0.0087   -0.0209    0.0045
            Y     0.0168   -0.0072    0.0031    0.0149   -0.0040    0.0095
            Z    -0.0106    0.0001    0.0014   -0.0051    0.0014   -0.0070
 AT.  71 O  X    -0.0063   -0.0105    0.0144    0.0087    0.0209   -0.0045
            Y     0.0168    0.0072   -0.0031   -0.0149   -0.0040    0.0095
            Z     0.0106    0.0001    0.0014   -0.0051   -0.0014    0.0070
 AT.  72 O  X    -0.0063    0.0105   -0.0144    0.0087    0.0209    0.0045
            Y     0.0168   -0.0072    0.0031   -0.0149   -0.0040   -0.0095
            Z    -0.0106    0.0001    0.0014    0.0051    0.0014    0.0070
 AT.  73 O  X     0.0063    0.0105    0.0144    0.0087    0.0209   -0.0045
            Y     0.0168    0.0072    0.0031    0.0149    0.0040   -0.0095
            Z     0.0106    0.0001   -0.0014    0.0051    0.0014   -0.0070
 AT.  74 O  X     0.0063   -0.0105   -0.0144    0.0087    0.0209    0.0045
            Y     0.0168   -0.0072   -0.0031    0.0149    0.0040    0.0095
            Z    -0.0106    0.0001   -0.0014   -0.0051   -0.0014   -0.0070
 AT.  75 O  X    -0.0063   -0.0105   -0.0144    0.0087   -0.0209   -0.0045
            Y     0.0168    0.0072    0.0031   -0.0149    0.0040    0.0095
            Z     0.0106    0.0001   -0.0014   -0.0051    0.0014    0.0070
 AT.  76 O  X    -0.0063    0.0105    0.0144    0.0087   -0.0209    0.0045
            Y     0.0168   -0.0072   -0.0031   -0.0149    0.0040   -0.0095
            Z    -0.0106    0.0001   -0.0014    0.0051   -0.0014    0.0070
 AT.  77 O  X    -0.0001    0.0088   -0.0119    0.0071   -0.0152   -0.0070
            Y    -0.0179   -0.0010    0.0103    0.0016    0.0049   -0.0026
            Z     0.0023   -0.0001    0.0026   -0.0018   -0.0085    0.0085
 AT.  78 O  X    -0.0001   -0.0088    0.0119    0.0071   -0.0152    0.0070
            Y    -0.0179    0.0010   -0.0103    0.0016    0.0049    0.0026
            Z    -0.0023   -0.0001    0.0026    0.0018    0.0085    0.0085
 AT.  79 O  X     0.0001   -0.0088    0.0119    0.0071    0.0152   -0.0070
            Y    -0.0179   -0.0010    0.0103   -0.0016    0.0049    0.0026
            Z     0.0023   -0.0001    0.0026    0.0018   -0.0085   -0.0085
 AT.  80 O  X     0.0001    0.0088   -0.0119    0.0071    0.0152    0.0070
            Y    -0.0179    0.0010   -0.0103   -0.0016    0.0049   -0.0026
            Z    -0.0023   -0.0001    0.0026   -0.0018    0.0085   -0.0085
 AT.  81 O  X    -0.0001    0.0088    0.0119    0.0071    0.0152   -0.0070
            Y    -0.0179   -0.0010   -0.0103    0.0016   -0.0049   -0.0026
            Z     0.0023   -0.0001   -0.0026   -0.0018    0.0085    0.0085
 AT.  82 O  X    -0.0001   -0.0088   -0.0119    0.0071    0.0152    0.0070
            Y    -0.0179    0.0010    0.0103    0.0016   -0.0049    0.0026
            Z    -0.0023   -0.0001   -0.0026    0.0018   -0.0085    0.0085
 AT.  83 O  X     0.0001   -0.0088   -0.0119    0.0071   -0.0152   -0.0070
            Y    -0.0179   -0.0010   -0.0103   -0.0016   -0.0049    0.0026
            Z     0.0023   -0.0001   -0.0026    0.0018    0.0085   -0.0085
 AT.  84 O  X     0.0001    0.0088    0.0119    0.0071   -0.0152    0.0070
            Y    -0.0179    0.0010    0.0103   -0.0016   -0.0049   -0.0026
            Z    -0.0023   -0.0001   -0.0026   -0.0018   -0.0085   -0.0085
 AT.  85 O  X     0.0012   -0.0047   -0.0044    0.0072   -0.0042    0.0009
            Y     0.0097    0.0123    0.0025   -0.0018   -0.0056   -0.0087
            Z    -0.0059   -0.0008   -0.0020    0.0030    0.0009    0.0053
 AT.  86 O  X     0.0012    0.0047    0.0044    0.0072   -0.0042   -0.0009
            Y     0.0097   -0.0123   -0.0025   -0.0018   -0.0056    0.0087
            Z     0.0059   -0.0008   -0.0020   -0.0030   -0.0009    0.0053
 AT.  87 O  X    -0.0012    0.0047    0.0044    0.0072    0.0042    0.0009
            Y     0.0097    0.0123    0.0025    0.0018   -0.0056    0.0087
            Z    -0.0059   -0.0008   -0.0020   -0.0030    0.0009   -0.0053
 AT.  88 O  X    -0.0012   -0.0047   -0.0044    0.0072    0.0042   -0.0009
            Y     0.0097   -0.0123   -0.0025    0.0018   -0.0056   -0.0087
            Z     0.0059   -0.0008   -0.0020    0.0030   -0.0009   -0.0053
 AT.  89 O  X     0.0012   -0.0047    0.0044    0.0072    0.0042    0.0009
            Y     0.0097    0.0123   -0.0025   -0.0018    0.0056   -0.0087
            Z    -0.0059   -0.0008    0.0020    0.0030   -0.0009    0.0053
 AT.  90 O  X     0.0012    0.0047   -0.0044    0.0072    0.0042   -0.0009
            Y     0.0097   -0.0123    0.0025   -0.0018    0.0056    0.0087
            Z     0.0059   -0.0008    0.0020   -0.0030    0.0009    0.0053
 AT.  91 O  X    -0.0012    0.0047   -0.0044    0.0072   -0.0042    0.0009
            Y     0.0097    0.0123   -0.0025    0.0018    0.0056    0.0087
            Z    -0.0059   -0.0008    0.0020   -0.0030   -0.0009   -0.0053
 AT.  92 O  X    -0.0012   -0.0047    0.0044    0.0072   -0.0042   -0.0009
            Y     0.0097   -0.0123    0.0025    0.0018    0.0056   -0.0087
            Z     0.0059   -0.0008    0.0020    0.0030    0.0009   -0.0053
 AT.  93 O  X    -0.0060   -0.0081    0.0085   -0.0055    0.0079    0.0107
            Y     0.0071    0.0060    0.0043   -0.0023    0.0009   -0.0037
            Z    -0.0054    0.0039   -0.0058    0.0054   -0.0060    0.0008
 AT.  94 O  X    -0.0060    0.0081   -0.0085   -0.0055    0.0079   -0.0107
            Y     0.0071   -0.0060   -0.0043   -0.0023    0.0009    0.0037
            Z     0.0054    0.0039   -0.0058   -0.0054    0.0060    0.0008
 AT.  95 O  X     0.0060    0.0081   -0.0085   -0.0055   -0.0079    0.0107
            Y     0.0071    0.0060    0.0043    0.0023    0.0009    0.0037
            Z    -0.0054    0.0039   -0.0058   -0.0054   -0.0060   -0.0008
 AT.  96 O  X     0.0060   -0.0081    0.0085   -0.0055   -0.0079   -0.0107
            Y     0.0071   -0.0060   -0.0043    0.0023    0.0009   -0.0037
            Z     0.0054    0.0039   -0.0058    0.0054    0.0060   -0.0008
 AT.  97 O  X    -0.0060   -0.0081   -0.0085   -0.0055   -0.0079    0.0107
            Y     0.0071    0.0060   -0.0043   -0.0023   -0.0009   -0.0037
            Z    -0.0054    0.0039    0.0058    0.0054    0.0060    0.0008
 AT.  98 O  X    -0.0060    0.0081    0.0085   -0.0055   -0.0079   -0.0107
            Y     0.0071   -0.0060    0.0043   -0.0023   -0.0009    0.0037
            Z     0.0054    0.0039    0.0058   -0.0054   -0.0060    0.0008
 AT.  99 O  X     0.0060    0.0081    0.0085   -0.0055    0.0079    0.0107
            Y     0.0071    0.0060   -0.0043    0.0023   -0.0009    0.0037
            Z    -0.0054    0.0039    0.0058   -0.0054    0.0060   -0.0008
 AT. 100 O  X     0.0060   -0.0081   -0.0085   -0.0055    0.0079   -0.0107
            Y     0.0071   -0.0060    0.0043    0.0023   -0.0009   -0.0037
            Z     0.0054    0.0039    0.0058    0.0054   -0.0060   -0.0008
 AT. 101 O  X    -0.0012   -0.0133   -0.0149    0.0038   -0.0033    0.0005
            Y     0.0107    0.0037    0.0021    0.0048    0.0012   -0.0034
            Z    -0.0004   -0.0013   -0.0043    0.0085   -0.0016    0.0017
 AT. 102 O  X    -0.0012    0.0133    0.0149    0.0038   -0.0033   -0.0005
            Y     0.0107   -0.0037   -0.0021    0.0048    0.0012    0.0034
            Z     0.0004   -0.0013   -0.0043   -0.0085    0.0016    0.0017
 AT. 103 O  X     0.0012    0.0133    0.0149    0.0038    0.0033    0.0005
            Y     0.0107    0.0037    0.0021   -0.0048    0.0012    0.0034
            Z    -0.0004   -0.0013   -0.0043   -0.0085   -0.0016   -0.0017
 AT. 104 O  X     0.0012   -0.0133   -0.0149    0.0038    0.0033   -0.0005
            Y     0.0107   -0.0037   -0.0021   -0.0048    0.0012   -0.0034
            Z     0.0004   -0.0013   -0.0043    0.0085    0.0016   -0.0017
 AT. 105 O  X    -0.0012   -0.0133    0.0149    0.0038    0.0033    0.0005
            Y     0.0107    0.0037   -0.0021    0.0048   -0.0012   -0.0034
            Z    -0.0004   -0.0013    0.0043    0.0085    0.0016    0.0017
 AT. 106 O  X    -0.0012    0.0133   -0.0149    0.0038    0.0033   -0.0005
            Y     0.0107   -0.0037    0.0021    0.0048   -0.0012    0.0034
            Z     0.0004   -0.0013    0.0043   -0.0085   -0.0016    0.0017
 AT. 107 O  X     0.0012    0.0133   -0.0149    0.0038   -0.0033    0.0005
            Y     0.0107    0.0037   -0.0021   -0.0048   -0.0012    0.0034
            Z    -0.0004   -0.0013    0.0043   -0.0085    0.0016   -0.0017
 AT. 108 O  X     0.0012   -0.0133    0.0149    0.0038   -0.0033   -0.0005
            Y     0.0107   -0.0037    0.0021   -0.0048   -0.0012   -0.0034
            Z     0.0004   -0.0013    0.0043    0.0085   -0.0016   -0.0017
 AT. 109 O  X    -0.0011   -0.0083   -0.0004    0.0006    0.0022    0.0050
            Y    -0.0037    0.0018    0.0140   -0.0119    0.0117    0.0078
            Z    -0.0045   -0.0037    0.0016   -0.0125    0.0016    0.0039
 AT. 110 O  X    -0.0011    0.0083    0.0004    0.0006    0.0022   -0.0050
            Y    -0.0037   -0.0018   -0.0140   -0.0119    0.0117   -0.0078
            Z     0.0045   -0.0037    0.0016    0.0125   -0.0016    0.0039
 AT. 111 O  X     0.0011    0.0083    0.0004    0.0006   -0.0022    0.0050
            Y    -0.0037    0.0018    0.0140    0.0119    0.0117   -0.0078
            Z    -0.0045   -0.0037    0.0016    0.0125    0.0016   -0.0039
 AT. 112 O  X     0.0011   -0.0083   -0.0004    0.0006   -0.0022   -0.0050
            Y    -0.0037   -0.0018   -0.0140    0.0119    0.0117    0.0078
            Z     0.0045   -0.0037    0.0016   -0.0125   -0.0016   -0.0039
 AT. 113 O  X    -0.0011   -0.0083    0.0004    0.0006   -0.0022    0.0050
            Y    -0.0037    0.0018   -0.0140   -0.0119   -0.0117    0.0078
            Z    -0.0045   -0.0037   -0.0016   -0.0125   -0.0016    0.0039
 AT. 114 O  X    -0.0011    0.0083   -0.0004    0.0006   -0.0022   -0.0050
            Y    -0.0037   -0.0018    0.0140   -0.0119   -0.0117   -0.0078
            Z     0.0045   -0.0037   -0.0016    0.0125    0.0016    0.0039
 AT. 115 O  X     0.0011    0.0083   -0.0004    0.0006    0.0022    0.0050
            Y    -0.0037    0.0018   -0.0140    0.0119   -0.0117   -0.0078
            Z    -0.0045   -0.0037   -0.0016    0.0125   -0.0016   -0.0039
 AT. 116 O  X     0.0011   -0.0083    0.0004    0.0006    0.0022   -0.0050
            Y    -0.0037   -0.0018    0.0140    0.0119   -0.0117    0.0078
            Z     0.0045   -0.0037   -0.0016   -0.0125    0.0016   -0.0039
 AT. 117 O  X     0.0072    0.0012   -0.0071    0.0067   -0.0103   -0.0108
            Y     0.0039   -0.0065   -0.0098    0.0067    0.0006   -0.0003
            Z    -0.0045    0.0032    0.0020   -0.0013    0.0067    0.0071
 AT. 118 O  X     0.0072   -0.0012    0.0071    0.0067   -0.0103    0.0108
            Y     0.0039    0.0065    0.0098    0.0067    0.0006    0.0003
            Z     0.0045    0.0032    0.0020    0.0013   -0.0067    0.0071
 AT. 119 O  X    -0.0072   -0.0012    0.0071    0.0067    0.0103   -0.0108
            Y     0.0039   -0.0065   -0.0098   -0.0067    0.0006    0.0003
            Z    -0.0045    0.0032    0.0020    0.0013    0.0067   -0.0071
 AT. 120 O  X    -0.0072    0.0012   -0.0071    0.0067    0.0103    0.0108
            Y     0.0039    0.0065    0.0098   -0.0067    0.0006   -0.0003
            Z     0.0045    0.0032    0.0020   -0.0013   -0.0067   -0.0071
 AT. 121 O  X     0.0072    0.0012    0.0071    0.0067    0.0103   -0.0108
            Y     0.0039   -0.0065    0.0098    0.0067   -0.0006   -0.0003
            Z    -0.0045    0.0032   -0.0020   -0.0013   -0.0067    0.0071
 AT. 122 O  X     0.0072   -0.0012   -0.0071    0.0067    0.0103    0.0108
            Y     0.0039    0.0065   -0.0098    0.0067   -0.0006    0.0003
            Z     0.0045    0.0032   -0.0020    0.0013    0.0067    0.0071
 AT. 123 O  X    -0.0072   -0.0012   -0.0071    0.0067   -0.0103   -0.0108
            Y     0.0039   -0.0065    0.0098   -0.0067   -0.0006    0.0003
            Z    -0.0045    0.0032   -0.0020    0.0013   -0.0067   -0.0071
 AT. 124 O  X    -0.0072    0.0012    0.0071    0.0067   -0.0103    0.0108
            Y     0.0039    0.0065   -0.0098   -0.0067   -0.0006   -0.0003
            Z     0.0045    0.0032   -0.0020   -0.0013    0.0067   -0.0071

 FREQ(CM**-1)    277.97    278.46    279.69    280.24    281.64    282.48

 AT.   1 SI X     0.0002   -0.0081   -0.0092    0.0066    0.0057    0.0037
            Y     0.0010    0.0033    0.0026   -0.0009    0.0022   -0.0010
            Z    -0.0043   -0.0049    0.0066    0.0001    0.0128   -0.0062
 AT.   2 SI X    -0.0002   -0.0081   -0.0092   -0.0066    0.0057    0.0037
            Y    -0.0010    0.0033    0.0026    0.0009    0.0022   -0.0010
            Z    -0.0043    0.0049   -0.0066    0.0001   -0.0128    0.0062
 AT.   3 SI X    -0.0002   -0.0081    0.0092    0.0066    0.0057   -0.0037
            Y     0.0010   -0.0033    0.0026    0.0009   -0.0022   -0.0010
            Z    -0.0043    0.0049    0.0066   -0.0001   -0.0128   -0.0062
 AT.   4 SI X     0.0002   -0.0081    0.0092   -0.0066    0.0057   -0.0037
            Y    -0.0010   -0.0033    0.0026   -0.0009   -0.0022   -0.0010
            Z    -0.0043   -0.0049   -0.0066   -0.0001    0.0128    0.0062
 AT.   5 SI X     0.0002    0.0081   -0.0092    0.0066   -0.0057    0.0037
            Y     0.0010   -0.0033    0.0026   -0.0009   -0.0022   -0.0010
            Z    -0.0043    0.0049    0.0066    0.0001   -0.0128   -0.0062
 AT.   6 SI X    -0.0002    0.0081   -0.0092   -0.0066   -0.0057    0.0037
            Y    -0.0010   -0.0033    0.0026    0.0009   -0.0022   -0.0010
            Z    -0.0043   -0.0049   -0.0066    0.0001    0.0128    0.0062
 AT.   7 SI X    -0.0002    0.0081    0.0092    0.0066   -0.0057   -0.0037
            Y     0.0010    0.0033    0.0026    0.0009    0.0022   -0.0010
            Z    -0.0043   -0.0049    0.0066   -0.0001    0.0128   -0.0062
 AT.   8 SI X     0.0002    0.0081    0.0092   -0.0066   -0.0057   -0.0037
            Y    -0.0010    0.0033    0.0026   -0.0009    0.0022   -0.0010
            Z    -0.0043    0.0049   -0.0066   -0.0001   -0.0128    0.0062
 AT.   9 SI X     0.0001    0.0004    0.0045    0.0024    0.0050   -0.0088
            Y    -0.0018   -0.0049    0.0023   -0.0006   -0.0032    0.0042
            Z     0.0033   -0.0006   -0.0057    0.0016    0.0015   -0.0065
 AT.  10 SI X    -0.0001    0.0004    0.0045   -0.0024    0.0050   -0.0088
            Y     0.0018   -0.0049    0.0023    0.0006   -0.0032    0.0042
            Z     0.0033    0.0006    0.0057    0.0016   -0.0015    0.0065
 AT.  11 SI X    -0.0001    0.0004   -0.0045    0.0024    0.0050    0.0088
            Y    -0.0018    0.0049    0.0023    0.0006    0.0032    0.0042
            Z     0.0033    0.0006   -0.0057   -0.0016   -0.0015   -0.0065
 AT.  12 SI X     0.0001    0.0004   -0.0045   -0.0024    0.0050    0.0088
            Y     0.0018    0.0049    0.0023   -0.0006    0.0032    0.0042
            Z     0.0033   -0.0006    0.0057   -0.0016    0.0015    0.0065
 AT.  13 SI X     0.0001   -0.0004    0.0045    0.0024   -0.0050   -0.0088
            Y    -0.0018    0.0049    0.0023   -0.0006    0.0032    0.0042
            Z     0.0033    0.0006   -0.0057    0.0016   -0.0015   -0.0065
 AT.  14 SI X    -0.0001   -0.0004    0.0045   -0.0024   -0.0050   -0.0088
            Y     0.0018    0.0049    0.0023    0.0006    0.0032    0.0042
            Z     0.0033   -0.0006    0.0057    0.0016    0.0015    0.0065
 AT.  15 SI X    -0.0001   -0.0004   -0.0045    0.0024   -0.0050    0.0088
            Y    -0.0018   -0.0049    0.0023    0.0006   -0.0032    0.0042
            Z     0.0033   -0.0006   -0.0057   -0.0016    0.0015   -0.0065
 AT.  16 SI X     0.0001   -0.0004   -0.0045   -0.0024   -0.0050    0.0088
            Y     0.0018   -0.0049    0.0023   -0.0006   -0.0032    0.0042
            Z     0.0033    0.0006    0.0057   -0.0016   -0.0015    0.0065
 AT.  17 SI X    -0.0038    0.0048    0.0000    0.0000    0.0045    0.0000
            Y     0.0000    0.0000    0.0057   -0.0021    0.0000    0.0053
            Z     0.0069   -0.0060    0.0000    0.0000   -0.0014    0.0000
 AT.  18 SI X     0.0038    0.0048    0.0000    0.0000    0.0045    0.0000
            Y     0.0000    0.0000    0.0057    0.0021    0.0000    0.0053
            Z     0.0069    0.0060    0.0000    0.0000    0.0014    0.0000
 AT.  19 SI X    -0.0038   -0.0048    0.0000    0.0000   -0.0045    0.0000
            Y     0.0000    0.0000    0.0057   -0.0021    0.0000    0.0053
            Z     0.0069    0.0060    0.0000    0.0000    0.0014    0.0000
 AT.  20 SI X     0.0038   -0.0048    0.0000    0.0000   -0.0045    0.0000
            Y     0.0000    0.0000    0.0057    0.0021    0.0000    0.0053
            Z     0.0069   -0.0060    0.0000    0.0000   -0.0014    0.0000
 AT.  21 CA X    -0.0049   -0.0026   -0.0093   -0.0074    0.0058   -0.0006
            Y    -0.0009   -0.0053   -0.0059    0.0002   -0.0019   -0.0002
            Z    -0.0015    0.0119   -0.0056    0.0064   -0.0075    0.0084
 AT.  22 CA X     0.0049   -0.0026   -0.0093    0.0074    0.0058   -0.0006
            Y     0.0009   -0.0053   -0.0059   -0.0002   -0.0019   -0.0002
            Z    -0.0015   -0.0119    0.0056    0.0064    0.0075   -0.0084
 AT.  23 CA X     0.0049   -0.0026    0.0093   -0.0074    0.0058    0.0006
            Y    -0.0009    0.0053   -0.0059   -0.0002    0.0019   -0.0002
            Z    -0.0015   -0.0119   -0.0056   -0.0064    0.0075    0.0084
 AT.  24 CA X    -0.0049   -0.0026    0.0093    0.0074    0.0058    0.0006
            Y     0.0009    0.0053   -0.0059    0.0002    0.0019   -0.0002
            Z    -0.0015    0.0119    0.0056   -0.0064   -0.0075   -0.0084
 AT.  25 CA X    -0.0049    0.0026   -0.0093   -0.0074   -0.0058   -0.0006
            Y    -0.0009    0.0053   -0.0059    0.0002    0.0019   -0.0002
            Z    -0.0015   -0.0119   -0.0056    0.0064    0.0075    0.0084
 AT.  26 CA X     0.0049    0.0026   -0.0093    0.0074   -0.0058   -0.0006
            Y     0.0009    0.0053   -0.0059   -0.0002    0.0019   -0.0002
            Z    -0.0015    0.0119    0.0056    0.0064   -0.0075   -0.0084
 AT.  27 CA X     0.0049    0.0026    0.0093   -0.0074   -0.0058    0.0006
            Y    -0.0009   -0.0053   -0.0059   -0.0002   -0.0019   -0.0002
            Z    -0.0015    0.0119   -0.0056   -0.0064   -0.0075    0.0084
 AT.  28 CA X    -0.0049    0.0026    0.0093    0.0074   -0.0058    0.0006
            Y     0.0009   -0.0053   -0.0059    0.0002   -0.0019   -0.0002
            Z    -0.0015   -0.0119    0.0056   -0.0064    0.0075   -0.0084
 AT.  29 CA X     0.0034    0.0000    0.0210   -0.0172    0.0000   -0.0056
            Y     0.0036    0.0000    0.0012   -0.0046    0.0000    0.0010
            Z    -0.0037    0.0000   -0.0154    0.0046    0.0000   -0.0053
 AT.  30 CA X    -0.0034    0.0000    0.0210    0.0172    0.0000   -0.0056
            Y    -0.0036    0.0000    0.0012    0.0046    0.0000    0.0010
            Z    -0.0037    0.0000    0.0154    0.0046    0.0000    0.0053
 AT.  31 CA X    -0.0034    0.0000   -0.0210   -0.0172    0.0000    0.0056
            Y     0.0036    0.0000    0.0012    0.0046    0.0000    0.0010
            Z    -0.0037    0.0000   -0.0154   -0.0046    0.0000   -0.0053
 AT.  32 CA X     0.0034    0.0000   -0.0210    0.0172    0.0000    0.0056
            Y    -0.0036    0.0000    0.0012   -0.0046    0.0000    0.0010
            Z    -0.0037    0.0000    0.0154   -0.0046    0.0000    0.0053
 AT.  33 CA X    -0.0032    0.0046    0.0021   -0.0040   -0.0123    0.0073
            Y    -0.0077    0.0019   -0.0040    0.0072    0.0030   -0.0018
            Z     0.0085   -0.0039    0.0080   -0.0120   -0.0085    0.0043
 AT.  34 CA X     0.0032    0.0046    0.0021    0.0040   -0.0123    0.0073
            Y     0.0077    0.0019   -0.0040   -0.0072    0.0030   -0.0018
            Z     0.0085    0.0039   -0.0080   -0.0120    0.0085   -0.0043
 AT.  35 CA X     0.0032    0.0046   -0.0021   -0.0040   -0.0123   -0.0073
            Y    -0.0077   -0.0019   -0.0040   -0.0072   -0.0030   -0.0018
            Z     0.0085    0.0039    0.0080    0.0120    0.0085    0.0043
 AT.  36 CA X    -0.0032    0.0046   -0.0021    0.0040   -0.0123   -0.0073
            Y     0.0077   -0.0019   -0.0040    0.0072   -0.0030   -0.0018
            Z     0.0085   -0.0039   -0.0080    0.0120   -0.0085   -0.0043
 AT.  37 CA X    -0.0032   -0.0046    0.0021   -0.0040    0.0123    0.0073
            Y    -0.0077   -0.0019   -0.0040    0.0072   -0.0030   -0.0018
            Z     0.0085    0.0039    0.0080   -0.0120    0.0085    0.0043
 AT.  38 CA X     0.0032   -0.0046    0.0021    0.0040    0.0123    0.0073
            Y     0.0077   -0.0019   -0.0040   -0.0072   -0.0030   -0.0018
            Z     0.0085   -0.0039   -0.0080   -0.0120   -0.0085   -0.0043
 AT.  39 CA X     0.0032   -0.0046   -0.0021   -0.0040    0.0123   -0.0073
            Y    -0.0077    0.0019   -0.0040   -0.0072    0.0030   -0.0018
            Z     0.0085   -0.0039    0.0080    0.0120   -0.0085    0.0043
 AT.  40 CA X    -0.0032   -0.0046   -0.0021    0.0040    0.0123   -0.0073
            Y     0.0077    0.0019   -0.0040    0.0072    0.0030   -0.0018
            Z     0.0085    0.0039   -0.0080    0.0120    0.0085   -0.0043
 AT.  41 CA X     0.0042    0.0034    0.0043   -0.0017    0.0041   -0.0091
            Y     0.0027    0.0130   -0.0013    0.0057    0.0009   -0.0131
            Z     0.0036    0.0013    0.0027   -0.0046   -0.0057    0.0054
 AT.  42 CA X    -0.0042    0.0034    0.0043    0.0017    0.0041   -0.0091
            Y    -0.0027    0.0130   -0.0013   -0.0057    0.0009   -0.0131
            Z     0.0036   -0.0013   -0.0027   -0.0046    0.0057   -0.0054
 AT.  43 CA X    -0.0042    0.0034   -0.0043   -0.0017    0.0041    0.0091
            Y     0.0027   -0.0130   -0.0013   -0.0057   -0.0009   -0.0131
            Z     0.0036   -0.0013    0.0027    0.0046    0.0057    0.0054
 AT.  44 CA X     0.0042    0.0034   -0.0043    0.0017    0.0041    0.0091
            Y    -0.0027   -0.0130   -0.0013    0.0057   -0.0009   -0.0131
            Z     0.0036    0.0013   -0.0027    0.0046   -0.0057   -0.0054
 AT.  45 CA X     0.0042   -0.0034    0.0043   -0.0017   -0.0041   -0.0091
            Y     0.0027   -0.0130   -0.0013    0.0057   -0.0009   -0.0131
            Z     0.0036   -0.0013    0.0027   -0.0046    0.0057    0.0054
 AT.  46 CA X    -0.0042   -0.0034    0.0043    0.0017   -0.0041   -0.0091
            Y    -0.0027   -0.0130   -0.0013   -0.0057   -0.0009   -0.0131
            Z     0.0036    0.0013   -0.0027   -0.0046   -0.0057   -0.0054
 AT.  47 CA X    -0.0042   -0.0034   -0.0043   -0.0017   -0.0041    0.0091
            Y     0.0027    0.0130   -0.0013   -0.0057    0.0009   -0.0131
            Z     0.0036    0.0013    0.0027    0.0046   -0.0057    0.0054
 AT.  48 CA X     0.0042   -0.0034   -0.0043    0.0017   -0.0041    0.0091
            Y    -0.0027    0.0130   -0.0013    0.0057    0.0009   -0.0131
            Z     0.0036   -0.0013   -0.0027    0.0046    0.0057   -0.0054
 AT.  49 CA X     0.0065   -0.0050    0.0000    0.0000   -0.0078    0.0000
            Y     0.0000    0.0000   -0.0136   -0.0130    0.0000    0.0053
            Z    -0.0092    0.0045    0.0000    0.0000    0.0091    0.0000
 AT.  50 CA X    -0.0065   -0.0050    0.0000    0.0000   -0.0078    0.0000
            Y     0.0000    0.0000   -0.0136    0.0130    0.0000    0.0053
            Z    -0.0092   -0.0045    0.0000    0.0000   -0.0091    0.0000
 AT.  51 CA X     0.0065    0.0050    0.0000    0.0000    0.0078    0.0000
            Y     0.0000    0.0000   -0.0136   -0.0130    0.0000    0.0053
            Z    -0.0092   -0.0045    0.0000    0.0000   -0.0091    0.0000
 AT.  52 CA X    -0.0065    0.0050    0.0000    0.0000    0.0078    0.0000
            Y     0.0000    0.0000   -0.0136    0.0130    0.0000    0.0053
            Z    -0.0092    0.0045    0.0000    0.0000    0.0091    0.0000
 AT.  53 O  X     0.0032   -0.0114   -0.0125   -0.0026    0.0056    0.0033
            Y     0.0000    0.0035    0.0033    0.0041    0.0029   -0.0001
            Z     0.0040   -0.0052    0.0122   -0.0088    0.0078    0.0031
 AT.  54 O  X    -0.0032   -0.0114   -0.0125    0.0026    0.0056    0.0033
            Y     0.0000    0.0035    0.0033   -0.0041    0.0029   -0.0001
            Z     0.0040    0.0052   -0.0122   -0.0088   -0.0078   -0.0031
 AT.  55 O  X    -0.0032   -0.0114    0.0125   -0.0026    0.0056   -0.0033
            Y     0.0000   -0.0035    0.0033   -0.0041   -0.0029   -0.0001
            Z     0.0040    0.0052    0.0122    0.0088   -0.0078    0.0031
 AT.  56 O  X     0.0032   -0.0114    0.0125    0.0026    0.0056   -0.0033
            Y     0.0000   -0.0035    0.0033    0.0041   -0.0029   -0.0001
            Z     0.0040   -0.0052   -0.0122    0.0088    0.0078   -0.0031
 AT.  57 O  X     0.0032    0.0114   -0.0125   -0.0026   -0.0056    0.0033
            Y     0.0000   -0.0035    0.0033    0.0041   -0.0029   -0.0001
            Z     0.0040    0.0052    0.0122   -0.0088   -0.0078    0.0031
 AT.  58 O  X    -0.0032    0.0114   -0.0125    0.0026   -0.0056    0.0033
            Y     0.0000   -0.0035    0.0033   -0.0041   -0.0029   -0.0001
            Z     0.0040   -0.0052   -0.0122   -0.0088    0.0078   -0.0031
 AT.  59 O  X    -0.0032    0.0114    0.0125   -0.0026   -0.0056   -0.0033
            Y     0.0000    0.0035    0.0033   -0.0041    0.0029   -0.0001
            Z     0.0040   -0.0052    0.0122    0.0088    0.0078    0.0031
 AT.  60 O  X     0.0032    0.0114    0.0125    0.0026   -0.0056   -0.0033
            Y     0.0000    0.0035    0.0033    0.0041    0.0029   -0.0001
            Z     0.0040    0.0052   -0.0122    0.0088   -0.0078   -0.0031
 AT.  61 O  X     0.0004   -0.0003   -0.0114    0.0058   -0.0011    0.0062
            Y     0.0073   -0.0002    0.0107    0.0039    0.0118    0.0016
            Z    -0.0077    0.0031    0.0008   -0.0044   -0.0002   -0.0041
 AT.  62 O  X    -0.0004   -0.0003   -0.0114   -0.0058   -0.0011    0.0062
            Y    -0.0073   -0.0002    0.0107   -0.0039    0.0118    0.0016
            Z    -0.0077   -0.0031   -0.0008   -0.0044    0.0002    0.0041
 AT.  63 O  X    -0.0004   -0.0003    0.0114    0.0058   -0.0011   -0.0062
            Y     0.0073    0.0002    0.0107   -0.0039   -0.0118    0.0016
            Z    -0.0077   -0.0031    0.0008    0.0044    0.0002   -0.0041
 AT.  64 O  X     0.0004   -0.0003    0.0114   -0.0058   -0.0011   -0.0062
            Y    -0.0073    0.0002    0.0107    0.0039   -0.0118    0.0016
            Z    -0.0077    0.0031   -0.0008    0.0044   -0.0002    0.0041
 AT.  65 O  X     0.0004    0.0003   -0.0114    0.0058    0.0011    0.0062
            Y     0.0073    0.0002    0.0107    0.0039   -0.0118    0.0016
            Z    -0.0077   -0.0031    0.0008   -0.0044    0.0002   -0.0041
 AT.  66 O  X    -0.0004    0.0003   -0.0114   -0.0058    0.0011    0.0062
            Y    -0.0073    0.0002    0.0107   -0.0039   -0.0118    0.0016
            Z    -0.0077    0.0031   -0.0008   -0.0044   -0.0002    0.0041
 AT.  67 O  X    -0.0004    0.0003    0.0114    0.0058    0.0011   -0.0062
            Y     0.0073   -0.0002    0.0107   -0.0039    0.0118    0.0016
            Z    -0.0077    0.0031    0.0008    0.0044   -0.0002   -0.0041
 AT.  68 O  X     0.0004    0.0003    0.0114   -0.0058    0.0011   -0.0062
            Y    -0.0073   -0.0002    0.0107    0.0039    0.0118    0.0016
            Z    -0.0077   -0.0031   -0.0008    0.0044    0.0002    0.0041
 AT.  69 O  X    -0.0036   -0.0101   -0.0133    0.0246    0.0164   -0.0027
            Y    -0.0118    0.0147   -0.0066    0.0098   -0.0034   -0.0080
            Z    -0.0106    0.0031   -0.0010   -0.0005    0.0041   -0.0052
 AT.  70 O  X     0.0036   -0.0101   -0.0133   -0.0246    0.0164   -0.0027
            Y     0.0118    0.0147   -0.0066   -0.0098   -0.0034   -0.0080
            Z    -0.0106   -0.0031    0.0010   -0.0005   -0.0041    0.0052
 AT.  71 O  X     0.0036   -0.0101    0.0133    0.0246    0.0164    0.0027
            Y    -0.0118   -0.0147   -0.0066   -0.0098    0.0034   -0.0080
            Z    -0.0106   -0.0031   -0.0010    0.0005   -0.0041   -0.0052
 AT.  72 O  X    -0.0036   -0.0101    0.0133   -0.0246    0.0164    0.0027
            Y     0.0118   -0.0147   -0.0066    0.0098    0.0034   -0.0080
            Z    -0.0106    0.0031    0.0010    0.0005    0.0041    0.0052
 AT.  73 O  X    -0.0036    0.0101   -0.0133    0.0246   -0.0164   -0.0027
            Y    -0.0118   -0.0147   -0.0066    0.0098    0.0034   -0.0080
            Z    -0.0106   -0.0031   -0.0010   -0.0005   -0.0041   -0.0052
 AT.  74 O  X     0.0036    0.0101   -0.0133   -0.0246   -0.0164   -0.0027
            Y     0.0118   -0.0147   -0.0066   -0.0098    0.0034   -0.0080
            Z    -0.0106    0.0031    0.0010   -0.0005    0.0041    0.0052
 AT.  75 O  X     0.0036    0.0101    0.0133    0.0246   -0.0164    0.0027
            Y    -0.0118    0.0147   -0.0066   -0.0098   -0.0034   -0.0080
            Z    -0.0106    0.0031   -0.0010    0.0005    0.0041   -0.0052
 AT.  76 O  X    -0.0036    0.0101    0.0133   -0.0246   -0.0164    0.0027
            Y     0.0118    0.0147   -0.0066    0.0098   -0.0034   -0.0080
            Z    -0.0106   -0.0031    0.0010    0.0005   -0.0041    0.0052
 AT.  77 O  X     0.0006   -0.0089   -0.0106    0.0070    0.0068    0.0040
            Y     0.0074   -0.0121    0.0036   -0.0175    0.0005    0.0088
            Z    -0.0059   -0.0039   -0.0022    0.0159    0.0149   -0.0053
 AT.  78 O  X    -0.0006   -0.0089   -0.0106   -0.0070    0.0068    0.0040
            Y    -0.0074   -0.0121    0.0036    0.0175    0.0005    0.0088
            Z    -0.0059    0.0039    0.0022    0.0159   -0.0149    0.0053
 AT.  79 O  X    -0.0006   -0.0089    0.0106    0.0070    0.0068   -0.0040
            Y     0.0074    0.0121    0.0036    0.0175   -0.0005    0.0088
            Z    -0.0059    0.0039   -0.0022   -0.0159   -0.0149   -0.0053
 AT.  80 O  X     0.0006   -0.0089    0.0106   -0.0070    0.0068   -0.0040
            Y    -0.0074    0.0121    0.0036   -0.0175   -0.0005    0.0088
            Z    -0.0059   -0.0039    0.0022   -0.0159    0.0149    0.0053
 AT.  81 O  X     0.0006    0.0089   -0.0106    0.0070   -0.0068    0.0040
            Y     0.0074    0.0121    0.0036   -0.0175   -0.0005    0.0088
            Z    -0.0059    0.0039   -0.0022    0.0159   -0.0149   -0.0053
 AT.  82 O  X    -0.0006    0.0089   -0.0106   -0.0070   -0.0068    0.0040
            Y    -0.0074    0.0121    0.0036    0.0175   -0.0005    0.0088
            Z    -0.0059   -0.0039    0.0022    0.0159    0.0149    0.0053
 AT.  83 O  X    -0.0006    0.0089    0.0106    0.0070   -0.0068   -0.0040
            Y     0.0074   -0.0121    0.0036    0.0175    0.0005    0.0088
            Z    -0.0059   -0.0039   -0.0022   -0.0159    0.0149   -0.0053
 AT.  84 O  X     0.0006    0.0089    0.0106   -0.0070   -0.0068   -0.0040
            Y    -0.0074   -0.0121    0.0036   -0.0175    0.0005    0.0088
            Z    -0.0059    0.0039    0.0022   -0.0159   -0.0149    0.0053
 AT.  85 O  X     0.0200   -0.0148    0.0109   -0.0020   -0.0031   -0.0006
            Y     0.0139   -0.0134    0.0057   -0.0074   -0.0127    0.0240
            Z     0.0052   -0.0037   -0.0030    0.0033    0.0007   -0.0109
 AT.  86 O  X    -0.0200   -0.0148    0.0109    0.0020   -0.0031   -0.0006
            Y    -0.0139   -0.0134    0.0057    0.0074   -0.0127    0.0240
            Z     0.0052    0.0037    0.0030    0.0033   -0.0007    0.0109
 AT.  87 O  X    -0.0200   -0.0148   -0.0109   -0.0020   -0.0031    0.0006
            Y     0.0139    0.0134    0.0057    0.0074    0.0127    0.0240
            Z     0.0052    0.0037   -0.0030   -0.0033   -0.0007   -0.0109
 AT.  88 O  X     0.0200   -0.0148   -0.0109    0.0020   -0.0031    0.0006
            Y    -0.0139    0.0134    0.0057   -0.0074    0.0127    0.0240
            Z     0.0052   -0.0037    0.0030   -0.0033    0.0007    0.0109
 AT.  89 O  X     0.0200    0.0148    0.0109   -0.0020    0.0031   -0.0006
            Y     0.0139    0.0134    0.0057   -0.0074    0.0127    0.0240
            Z     0.0052    0.0037   -0.0030    0.0033   -0.0007   -0.0109
 AT.  90 O  X    -0.0200    0.0148    0.0109    0.0020    0.0031   -0.0006
            Y    -0.0139    0.0134    0.0057    0.0074    0.0127    0.0240
            Z     0.0052   -0.0037    0.0030    0.0033    0.0007    0.0109
 AT.  91 O  X    -0.0200    0.0148   -0.0109   -0.0020    0.0031    0.0006
            Y     0.0139   -0.0134    0.0057    0.0074   -0.0127    0.0240
            Z     0.0052   -0.0037   -0.0030   -0.0033    0.0007   -0.0109
 AT.  92 O  X     0.0200    0.0148   -0.0109    0.0020    0.0031    0.0006
            Y    -0.0139   -0.0134    0.0057   -0.0074   -0.0127    0.0240
            Z     0.0052    0.0037    0.0030   -0.0033   -0.0007    0.0109
 AT.  93 O  X    -0.0134    0.0055   -0.0020    0.0074    0.0143   -0.0191
            Y     0.0030   -0.0071    0.0049   -0.0028   -0.0060    0.0071
            Z     0.0137   -0.0063   -0.0056    0.0010   -0.0040    0.0030
 AT.  94 O  X     0.0134    0.0055   -0.0020   -0.0074    0.0143   -0.0191
            Y    -0.0030   -0.0071    0.0049    0.0028   -0.0060    0.0071
            Z     0.0137    0.0063    0.0056    0.0010    0.0040   -0.0030
 AT.  95 O  X     0.0134    0.0055    0.0020    0.0074    0.0143    0.0191
            Y     0.0030    0.0071    0.0049    0.0028    0.0060    0.0071
            Z     0.0137    0.0063   -0.0056   -0.0010    0.0040    0.0030
 AT.  96 O  X    -0.0134    0.0055    0.0020   -0.0074    0.0143    0.0191
            Y    -0.0030    0.0071    0.0049   -0.0028    0.0060    0.0071
            Z     0.0137   -0.0063    0.0056   -0.0010   -0.0040   -0.0030
 AT.  97 O  X    -0.0134   -0.0055   -0.0020    0.0074   -0.0143   -0.0191
            Y     0.0030    0.0071    0.0049   -0.0028    0.0060    0.0071
            Z     0.0137    0.0063   -0.0056    0.0010    0.0040    0.0030
 AT.  98 O  X     0.0134   -0.0055   -0.0020   -0.0074   -0.0143   -0.0191
            Y    -0.0030    0.0071    0.0049    0.0028    0.0060    0.0071
            Z     0.0137   -0.0063    0.0056    0.0010   -0.0040   -0.0030
 AT.  99 O  X     0.0134   -0.0055    0.0020    0.0074   -0.0143    0.0191
            Y     0.0030   -0.0071    0.0049    0.0028   -0.0060    0.0071
            Z     0.0137   -0.0063   -0.0056   -0.0010   -0.0040    0.0030
 AT. 100 O  X    -0.0134   -0.0055    0.0020   -0.0074   -0.0143    0.0191
            Y    -0.0030   -0.0071    0.0049   -0.0028   -0.0060    0.0071
            Z     0.0137    0.0063    0.0056   -0.0010    0.0040   -0.0030
 AT. 101 O  X    -0.0088    0.0155    0.0024    0.0019    0.0117   -0.0047
            Y     0.0071   -0.0134    0.0076   -0.0056   -0.0025   -0.0016
            Z     0.0093   -0.0104    0.0007    0.0011    0.0021   -0.0107
 AT. 102 O  X     0.0088    0.0155    0.0024   -0.0019    0.0117   -0.0047
            Y    -0.0071   -0.0134    0.0076    0.0056   -0.0025   -0.0016
            Z     0.0093    0.0104   -0.0007    0.0011   -0.0021    0.0107
 AT. 103 O  X     0.0088    0.0155   -0.0024    0.0019    0.0117    0.0047
            Y     0.0071    0.0134    0.0076    0.0056    0.0025   -0.0016
            Z     0.0093    0.0104    0.0007   -0.0011   -0.0021   -0.0107
 AT. 104 O  X    -0.0088    0.0155   -0.0024   -0.0019    0.0117    0.0047
            Y    -0.0071    0.0134    0.0076   -0.0056    0.0025   -0.0016
            Z     0.0093   -0.0104   -0.0007   -0.0011    0.0021    0.0107
 AT. 105 O  X    -0.0088   -0.0155    0.0024    0.0019   -0.0117   -0.0047
            Y     0.0071    0.0134    0.0076   -0.0056    0.0025   -0.0016
            Z     0.0093    0.0104    0.0007    0.0011   -0.0021   -0.0107
 AT. 106 O  X     0.0088   -0.0155    0.0024   -0.0019   -0.0117   -0.0047
            Y    -0.0071    0.0134    0.0076    0.0056    0.0025   -0.0016
            Z     0.0093   -0.0104   -0.0007    0.0011    0.0021    0.0107
 AT. 107 O  X     0.0088   -0.0155   -0.0024    0.0019   -0.0117    0.0047
            Y     0.0071   -0.0134    0.0076    0.0056   -0.0025   -0.0016
            Z     0.0093   -0.0104    0.0007   -0.0011    0.0021   -0.0107
 AT. 108 O  X    -0.0088   -0.0155   -0.0024   -0.0019   -0.0117    0.0047
            Y    -0.0071   -0.0134    0.0076   -0.0056   -0.0025   -0.0016
            Z     0.0093    0.0104   -0.0007   -0.0011   -0.0021    0.0107
 AT. 109 O  X    -0.0002    0.0009    0.0055    0.0022    0.0056   -0.0088
            Y    -0.0216    0.0026   -0.0036    0.0034    0.0145   -0.0105
            Z    -0.0184    0.0150   -0.0002    0.0032    0.0022    0.0037
 AT. 110 O  X     0.0002    0.0009    0.0055   -0.0022    0.0056   -0.0088
            Y     0.0216    0.0026   -0.0036   -0.0034    0.0145   -0.0105
            Z    -0.0184   -0.0150    0.0002    0.0032   -0.0022   -0.0037
 AT. 111 O  X     0.0002    0.0009   -0.0055    0.0022    0.0056    0.0088
            Y    -0.0216   -0.0026   -0.0036   -0.0034   -0.0145   -0.0105
            Z    -0.0184   -0.0150   -0.0002   -0.0032   -0.0022    0.0037
 AT. 112 O  X    -0.0002    0.0009   -0.0055   -0.0022    0.0056    0.0088
            Y     0.0216   -0.0026   -0.0036    0.0034   -0.0145   -0.0105
            Z    -0.0184    0.0150    0.0002   -0.0032    0.0022   -0.0037
 AT. 113 O  X    -0.0002   -0.0009    0.0055    0.0022   -0.0056   -0.0088
            Y    -0.0216   -0.0026   -0.0036    0.0034   -0.0145   -0.0105
            Z    -0.0184   -0.0150   -0.0002    0.0032   -0.0022    0.0037
 AT. 114 O  X     0.0002   -0.0009    0.0055   -0.0022   -0.0056   -0.0088
            Y     0.0216   -0.0026   -0.0036   -0.0034   -0.0145   -0.0105
            Z    -0.0184    0.0150    0.0002    0.0032    0.0022   -0.0037
 AT. 115 O  X     0.0002   -0.0009   -0.0055    0.0022   -0.0056    0.0088
            Y    -0.0216    0.0026   -0.0036   -0.0034    0.0145   -0.0105
            Z    -0.0184    0.0150   -0.0002   -0.0032    0.0022    0.0037
 AT. 116 O  X    -0.0002   -0.0009   -0.0055   -0.0022   -0.0056    0.0088
            Y     0.0216    0.0026   -0.0036    0.0034    0.0145   -0.0105
            Z    -0.0184   -0.0150    0.0002   -0.0032   -0.0022   -0.0037
 AT. 117 O  X     0.0052   -0.0034    0.0009   -0.0013   -0.0028    0.0048
            Y     0.0003    0.0034    0.0043   -0.0053    0.0115   -0.0025
            Z    -0.0039   -0.0005    0.0008    0.0036   -0.0034    0.0018
 AT. 118 O  X    -0.0052   -0.0034    0.0009    0.0013   -0.0028    0.0048
            Y    -0.0003    0.0034    0.0043    0.0053    0.0115   -0.0025
            Z    -0.0039    0.0005   -0.0008    0.0036    0.0034   -0.0018
 AT. 119 O  X    -0.0052   -0.0034   -0.0009   -0.0013   -0.0028   -0.0048
            Y     0.0003   -0.0034    0.0043    0.0053   -0.0115   -0.0025
            Z    -0.0039    0.0005    0.0008   -0.0036    0.0034    0.0018
 AT. 120 O  X     0.0052   -0.0034   -0.0009    0.0013   -0.0028   -0.0048
            Y    -0.0003   -0.0034    0.0043   -0.0053   -0.0115   -0.0025
            Z    -0.0039   -0.0005   -0.0008   -0.0036   -0.0034   -0.0018
 AT. 121 O  X     0.0052    0.0034    0.0009   -0.0013    0.0028    0.0048
            Y     0.0003   -0.0034    0.0043   -0.0053   -0.0115   -0.0025
            Z    -0.0039    0.0005    0.0008    0.0036    0.0034    0.0018
 AT. 122 O  X    -0.0052    0.0034    0.0009    0.0013    0.0028    0.0048
            Y    -0.0003   -0.0034    0.0043    0.0053   -0.0115   -0.0025
            Z    -0.0039   -0.0005   -0.0008    0.0036   -0.0034   -0.0018
 AT. 123 O  X    -0.0052    0.0034   -0.0009   -0.0013    0.0028   -0.0048
            Y     0.0003    0.0034    0.0043    0.0053    0.0115   -0.0025
            Z    -0.0039   -0.0005    0.0008   -0.0036   -0.0034    0.0018
 AT. 124 O  X     0.0052    0.0034   -0.0009    0.0013    0.0028   -0.0048
            Y    -0.0003    0.0034    0.0043   -0.0053    0.0115   -0.0025
            Z    -0.0039    0.0005   -0.0008   -0.0036    0.0034   -0.0018

 FREQ(CM**-1)    282.92    284.26    284.66    286.79    288.68    289.34

 AT.   1 SI X    -0.0020    0.0040    0.0071    0.0038   -0.0063    0.0066
            Y    -0.0059    0.0000    0.0021    0.0027    0.0002    0.0051
            Z     0.0040   -0.0048   -0.0007    0.0115    0.0053   -0.0072
 AT.   2 SI X    -0.0020    0.0040    0.0071   -0.0038    0.0063   -0.0066
            Y    -0.0059    0.0000    0.0021   -0.0027   -0.0002   -0.0051
            Z    -0.0040    0.0048    0.0007    0.0115    0.0053   -0.0072
 AT.   3 SI X     0.0020    0.0040    0.0071    0.0038    0.0063    0.0066
            Y    -0.0059    0.0000   -0.0021   -0.0027    0.0002   -0.0051
            Z     0.0040    0.0048    0.0007   -0.0115    0.0053    0.0072
 AT.   4 SI X     0.0020    0.0040    0.0071   -0.0038   -0.0063   -0.0066
            Y    -0.0059    0.0000   -0.0021    0.0027   -0.0002    0.0051
            Z    -0.0040   -0.0048   -0.0007   -0.0115    0.0053    0.0072
 AT.   5 SI X     0.0020   -0.0040    0.0071   -0.0038   -0.0063    0.0066
            Y     0.0059    0.0000    0.0021   -0.0027    0.0002    0.0051
            Z    -0.0040    0.0048   -0.0007   -0.0115    0.0053   -0.0072
 AT.   6 SI X     0.0020   -0.0040    0.0071    0.0038    0.0063   -0.0066
            Y     0.0059    0.0000    0.0021    0.0027   -0.0002   -0.0051
            Z     0.0040   -0.0048    0.0007   -0.0115    0.0053   -0.0072
 AT.   7 SI X    -0.0020   -0.0040    0.0071   -0.0038    0.0063    0.0066
            Y     0.0059    0.0000   -0.0021    0.0027    0.0002   -0.0051
            Z    -0.0040   -0.0048    0.0007    0.0115    0.0053    0.0072
 AT.   8 SI X    -0.0020   -0.0040    0.0071    0.0038   -0.0063   -0.0066
            Y     0.0059    0.0000   -0.0021   -0.0027   -0.0002    0.0051
            Z     0.0040    0.0048   -0.0007    0.0115    0.0053    0.0072
 AT.   9 SI X     0.0042   -0.0001   -0.0010    0.0073    0.0010   -0.0039
            Y     0.0053   -0.0087   -0.0027   -0.0044    0.0083   -0.0055
            Z    -0.0025    0.0062    0.0032    0.0061   -0.0065    0.0098
 AT.  10 SI X     0.0042   -0.0001   -0.0010   -0.0073   -0.0010    0.0039
            Y     0.0053   -0.0087   -0.0027    0.0044   -0.0083    0.0055
            Z     0.0025   -0.0062   -0.0032    0.0061   -0.0065    0.0098
 AT.  11 SI X    -0.0042   -0.0001   -0.0010    0.0073   -0.0010   -0.0039
            Y     0.0053    0.0087    0.0027    0.0044    0.0083    0.0055
            Z    -0.0025   -0.0062   -0.0032   -0.0061   -0.0065   -0.0098
 AT.  12 SI X    -0.0042   -0.0001   -0.0010   -0.0073    0.0010    0.0039
            Y     0.0053    0.0087    0.0027   -0.0044   -0.0083   -0.0055
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 AT.  13 SI X    -0.0042    0.0001   -0.0010   -0.0073    0.0010   -0.0039
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 AT.  14 SI X    -0.0042    0.0001   -0.0010    0.0073   -0.0010    0.0039
            Y    -0.0053    0.0087   -0.0027   -0.0044   -0.0083    0.0055
            Z    -0.0025    0.0062   -0.0032   -0.0061   -0.0065    0.0098
 AT.  15 SI X     0.0042    0.0001   -0.0010   -0.0073   -0.0010   -0.0039
            Y    -0.0053   -0.0087    0.0027   -0.0044    0.0083    0.0055
            Z     0.0025    0.0062   -0.0032    0.0061   -0.0065   -0.0098
 AT.  16 SI X     0.0042    0.0001   -0.0010    0.0073    0.0010    0.0039
            Y    -0.0053   -0.0087    0.0027    0.0044   -0.0083   -0.0055
            Z    -0.0025   -0.0062    0.0032    0.0061   -0.0065   -0.0098
 AT.  17 SI X     0.0000    0.0054    0.0074    0.0000   -0.0077    0.0000
            Y    -0.0012    0.0000    0.0000   -0.0051    0.0000    0.0002
            Z     0.0000    0.0025   -0.0009    0.0000   -0.0015    0.0000
 AT.  18 SI X     0.0000    0.0054    0.0074    0.0000    0.0077    0.0000
            Y    -0.0012    0.0000    0.0000    0.0051    0.0000   -0.0002
            Z     0.0000   -0.0025    0.0009    0.0000   -0.0015    0.0000
 AT.  19 SI X     0.0000   -0.0054    0.0074    0.0000   -0.0077    0.0000
            Y     0.0012    0.0000    0.0000    0.0051    0.0000    0.0002
            Z     0.0000   -0.0025   -0.0009    0.0000   -0.0015    0.0000
 AT.  20 SI X     0.0000   -0.0054    0.0074    0.0000    0.0077    0.0000
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 AT.  21 CA X    -0.0051    0.0051   -0.0046    0.0033   -0.0073   -0.0045
            Y    -0.0097    0.0038    0.0008   -0.0024   -0.0029    0.0055
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 AT.  22 CA X    -0.0051    0.0051   -0.0046   -0.0033    0.0073    0.0045
            Y    -0.0097    0.0038    0.0008    0.0024    0.0029   -0.0055
            Z    -0.0009    0.0029   -0.0102   -0.0081   -0.0044    0.0062
 AT.  23 CA X     0.0051    0.0051   -0.0046    0.0033    0.0073   -0.0045
            Y    -0.0097   -0.0038   -0.0008    0.0024   -0.0029   -0.0055
            Z     0.0009    0.0029   -0.0102    0.0081   -0.0044   -0.0062
 AT.  24 CA X     0.0051    0.0051   -0.0046   -0.0033   -0.0073    0.0045
            Y    -0.0097   -0.0038   -0.0008   -0.0024    0.0029    0.0055
            Z    -0.0009   -0.0029    0.0102    0.0081   -0.0044   -0.0062
 AT.  25 CA X     0.0051   -0.0051   -0.0046   -0.0033   -0.0073   -0.0045
            Y     0.0097   -0.0038    0.0008    0.0024   -0.0029    0.0055
            Z    -0.0009    0.0029    0.0102    0.0081   -0.0044    0.0062
 AT.  26 CA X     0.0051   -0.0051   -0.0046    0.0033    0.0073    0.0045
            Y     0.0097   -0.0038    0.0008   -0.0024    0.0029   -0.0055
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 AT.  27 CA X    -0.0051   -0.0051   -0.0046   -0.0033    0.0073   -0.0045
            Y     0.0097    0.0038   -0.0008   -0.0024   -0.0029   -0.0055
            Z    -0.0009   -0.0029   -0.0102   -0.0081   -0.0044   -0.0062
 AT.  28 CA X    -0.0051   -0.0051   -0.0046    0.0033   -0.0073    0.0045
            Y     0.0097    0.0038   -0.0008    0.0024    0.0029    0.0055
            Z     0.0009    0.0029    0.0102   -0.0081   -0.0044   -0.0062
 AT.  29 CA X     0.0000    0.0000   -0.0175    0.0000    0.0146   -0.0118
            Y     0.0000    0.0000    0.0002    0.0000   -0.0003    0.0068
            Z     0.0000    0.0000    0.0044    0.0000   -0.0111    0.0070
 AT.  30 CA X     0.0000    0.0000   -0.0175    0.0000   -0.0146    0.0118
            Y     0.0000    0.0000    0.0002    0.0000    0.0003   -0.0068
            Z     0.0000    0.0000   -0.0044    0.0000   -0.0111    0.0070
 AT.  31 CA X     0.0000    0.0000   -0.0175    0.0000   -0.0146   -0.0118
            Y     0.0000    0.0000   -0.0002    0.0000   -0.0003   -0.0068
            Z     0.0000    0.0000   -0.0044    0.0000   -0.0111   -0.0070
 AT.  32 CA X     0.0000    0.0000   -0.0175    0.0000    0.0146    0.0118
            Y     0.0000    0.0000   -0.0002    0.0000    0.0003    0.0068
            Z     0.0000    0.0000    0.0044    0.0000   -0.0111   -0.0070
 AT.  33 CA X     0.0030   -0.0077   -0.0024   -0.0104    0.0088   -0.0056
            Y     0.0087   -0.0041    0.0016    0.0022    0.0008   -0.0074
            Z    -0.0100   -0.0006   -0.0108   -0.0067    0.0059    0.0024
 AT.  34 CA X     0.0030   -0.0077   -0.0024    0.0104   -0.0088    0.0056
            Y     0.0087   -0.0041    0.0016   -0.0022   -0.0008    0.0074
            Z     0.0100    0.0006    0.0108   -0.0067    0.0059    0.0024
 AT.  35 CA X    -0.0030   -0.0077   -0.0024   -0.0104   -0.0088   -0.0056
            Y     0.0087    0.0041   -0.0016   -0.0022    0.0008    0.0074
            Z    -0.0100    0.0006    0.0108    0.0067    0.0059   -0.0024
 AT.  36 CA X    -0.0030   -0.0077   -0.0024    0.0104    0.0088    0.0056
            Y     0.0087    0.0041   -0.0016    0.0022   -0.0008   -0.0074
            Z     0.0100   -0.0006   -0.0108    0.0067    0.0059   -0.0024
 AT.  37 CA X    -0.0030    0.0077   -0.0024    0.0104    0.0088   -0.0056
            Y    -0.0087    0.0041    0.0016   -0.0022    0.0008   -0.0074
            Z     0.0100    0.0006   -0.0108    0.0067    0.0059    0.0024
 AT.  38 CA X    -0.0030    0.0077   -0.0024   -0.0104   -0.0088    0.0056
            Y    -0.0087    0.0041    0.0016    0.0022   -0.0008    0.0074
            Z    -0.0100   -0.0006    0.0108    0.0067    0.0059    0.0024
 AT.  39 CA X     0.0030    0.0077   -0.0024    0.0104   -0.0088   -0.0056
            Y    -0.0087   -0.0041   -0.0016    0.0022    0.0008    0.0074
            Z     0.0100   -0.0006    0.0108   -0.0067    0.0059   -0.0024
 AT.  40 CA X     0.0030    0.0077   -0.0024   -0.0104    0.0088    0.0056
            Y    -0.0087   -0.0041   -0.0016   -0.0022   -0.0008   -0.0074
            Z    -0.0100    0.0006   -0.0108   -0.0067    0.0059   -0.0024
 AT.  41 CA X    -0.0023    0.0117   -0.0053    0.0036   -0.0086    0.0021
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 AT.  42 CA X    -0.0023    0.0117   -0.0053   -0.0036    0.0086   -0.0021
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 AT.  43 CA X     0.0023    0.0117   -0.0053    0.0036    0.0086    0.0021
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 AT.  44 CA X     0.0023    0.0117   -0.0053   -0.0036   -0.0086   -0.0021
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 AT.  45 CA X     0.0023   -0.0117   -0.0053   -0.0036   -0.0086    0.0021
            Y    -0.0146   -0.0146    0.0009   -0.0051   -0.0136   -0.0133
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 AT.  46 CA X     0.0023   -0.0117   -0.0053    0.0036    0.0086   -0.0021
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 AT.  49 CA X     0.0000    0.0018   -0.0017    0.0000    0.0018    0.0000
            Y     0.0012    0.0000    0.0000   -0.0001    0.0000   -0.0038
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 AT.  50 CA X     0.0000    0.0018   -0.0017    0.0000   -0.0018    0.0000
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 AT.  51 CA X     0.0000   -0.0018   -0.0017    0.0000    0.0018    0.0000
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 AT.  52 CA X     0.0000   -0.0018   -0.0017    0.0000   -0.0018    0.0000
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            Z     0.0000    0.0006   -0.0054    0.0000   -0.0039    0.0000
 AT.  53 O  X    -0.0118    0.0040   -0.0038    0.0045   -0.0093    0.0100
            Y    -0.0022    0.0001    0.0076    0.0031    0.0011    0.0044
            Z    -0.0018   -0.0030   -0.0001    0.0063    0.0079    0.0039
 AT.  54 O  X    -0.0118    0.0040   -0.0038   -0.0045    0.0093   -0.0100
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 AT.  55 O  X     0.0118    0.0040   -0.0038    0.0045    0.0093    0.0100
            Y    -0.0022   -0.0001   -0.0076   -0.0031    0.0011   -0.0044
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 AT.  56 O  X     0.0118    0.0040   -0.0038   -0.0045   -0.0093   -0.0100
            Y    -0.0022   -0.0001   -0.0076    0.0031   -0.0011    0.0044
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 AT.  57 O  X     0.0118   -0.0040   -0.0038   -0.0045   -0.0093    0.0100
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 AT.  58 O  X     0.0118   -0.0040   -0.0038    0.0045    0.0093   -0.0100
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            Y    -0.0100    0.0008   -0.0048   -0.0019   -0.0035    0.0057
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 AT.  80 O  X     0.0022    0.0051    0.0076   -0.0045   -0.0080   -0.0078
            Y    -0.0261    0.0042    0.0170    0.0001   -0.0029    0.0065
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 AT.  81 O  X     0.0022   -0.0051    0.0076   -0.0045   -0.0080    0.0078
            Y     0.0261    0.0042   -0.0170   -0.0001    0.0029    0.0065
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 AT.  82 O  X     0.0022   -0.0051    0.0076    0.0045    0.0080   -0.0078
            Y     0.0261    0.0042   -0.0170    0.0001   -0.0029   -0.0065
            Z     0.0036   -0.0096   -0.0081   -0.0137    0.0019   -0.0077
 AT.  83 O  X    -0.0022   -0.0051    0.0076   -0.0045    0.0080    0.0078
            Y     0.0261   -0.0042    0.0170    0.0001    0.0029   -0.0065
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 AT.  84 O  X    -0.0022   -0.0051    0.0076    0.0045   -0.0080   -0.0078
            Y     0.0261   -0.0042    0.0170   -0.0001   -0.0029    0.0065
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 AT.  85 O  X    -0.0037    0.0088   -0.0102   -0.0023    0.0038    0.0063
            Y    -0.0103    0.0024   -0.0031   -0.0193    0.0051    0.0034
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 AT.  86 O  X    -0.0037    0.0088   -0.0102    0.0023   -0.0038   -0.0063
            Y    -0.0103    0.0024   -0.0031    0.0193   -0.0051   -0.0034
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 AT.  87 O  X     0.0037    0.0088   -0.0102   -0.0023   -0.0038    0.0063
            Y    -0.0103   -0.0024    0.0031    0.0193    0.0051   -0.0034
            Z     0.0016   -0.0038    0.0019   -0.0067   -0.0015   -0.0102
 AT.  88 O  X     0.0037    0.0088   -0.0102    0.0023    0.0038   -0.0063
            Y    -0.0103   -0.0024    0.0031   -0.0193   -0.0051    0.0034
            Z    -0.0016    0.0038   -0.0019   -0.0067   -0.0015   -0.0102
 AT.  89 O  X     0.0037   -0.0088   -0.0102    0.0023    0.0038    0.0063
            Y     0.0103   -0.0024   -0.0031    0.0193    0.0051    0.0034
            Z    -0.0016   -0.0038   -0.0019   -0.0067   -0.0015    0.0102
 AT.  90 O  X     0.0037   -0.0088   -0.0102   -0.0023   -0.0038   -0.0063
            Y     0.0103   -0.0024   -0.0031   -0.0193   -0.0051   -0.0034
            Z     0.0016    0.0038    0.0019   -0.0067   -0.0015    0.0102
 AT.  91 O  X    -0.0037   -0.0088   -0.0102    0.0023   -0.0038    0.0063
            Y     0.0103    0.0024    0.0031   -0.0193    0.0051   -0.0034
            Z    -0.0016    0.0038    0.0019    0.0067   -0.0015   -0.0102
 AT.  92 O  X    -0.0037   -0.0088   -0.0102   -0.0023    0.0038   -0.0063
            Y     0.0103    0.0024    0.0031    0.0193   -0.0051    0.0034
            Z     0.0016   -0.0038   -0.0019    0.0067   -0.0015   -0.0102
 AT.  93 O  X     0.0101   -0.0096    0.0009    0.0199    0.0015   -0.0120
            Y     0.0043   -0.0060   -0.0033   -0.0080    0.0088   -0.0028
            Z    -0.0080    0.0150   -0.0016   -0.0015   -0.0092    0.0096
 AT.  94 O  X     0.0101   -0.0096    0.0009   -0.0199   -0.0015    0.0120
            Y     0.0043   -0.0060   -0.0033    0.0080   -0.0088    0.0028
            Z     0.0080   -0.0150    0.0016   -0.0015   -0.0092    0.0096
 AT.  95 O  X    -0.0101   -0.0096    0.0009    0.0199   -0.0015   -0.0120
            Y     0.0043    0.0060    0.0033    0.0080    0.0088    0.0028
            Z    -0.0080   -0.0150    0.0016    0.0015   -0.0092   -0.0096
 AT.  96 O  X    -0.0101   -0.0096    0.0009   -0.0199    0.0015    0.0120
            Y     0.0043    0.0060    0.0033   -0.0080   -0.0088   -0.0028
            Z     0.0080    0.0150   -0.0016    0.0015   -0.0092   -0.0096
 AT.  97 O  X    -0.0101    0.0096    0.0009   -0.0199    0.0015   -0.0120
            Y    -0.0043    0.0060   -0.0033    0.0080    0.0088   -0.0028
            Z     0.0080   -0.0150   -0.0016    0.0015   -0.0092    0.0096
 AT.  98 O  X    -0.0101    0.0096    0.0009    0.0199   -0.0015    0.0120
            Y    -0.0043    0.0060   -0.0033   -0.0080   -0.0088    0.0028
            Z    -0.0080    0.0150    0.0016    0.0015   -0.0092    0.0096
 AT.  99 O  X     0.0101    0.0096    0.0009   -0.0199   -0.0015   -0.0120
            Y    -0.0043   -0.0060    0.0033   -0.0080    0.0088    0.0028
            Z     0.0080    0.0150    0.0016   -0.0015   -0.0092   -0.0096
 AT. 100 O  X     0.0101    0.0096    0.0009    0.0199    0.0015    0.0120
            Y    -0.0043   -0.0060    0.0033    0.0080   -0.0088   -0.0028
            Z    -0.0080   -0.0150   -0.0016   -0.0015   -0.0092   -0.0096
 AT. 101 O  X    -0.0007    0.0101    0.0140    0.0043   -0.0151    0.0018
            Y    -0.0025   -0.0029   -0.0107   -0.0035    0.0084    0.0062
            Z    -0.0019    0.0053   -0.0063    0.0057    0.0001    0.0101
 AT. 102 O  X    -0.0007    0.0101    0.0140   -0.0043    0.0151   -0.0018
            Y    -0.0025   -0.0029   -0.0107    0.0035   -0.0084   -0.0062
            Z     0.0019   -0.0053    0.0063    0.0057    0.0001    0.0101
 AT. 103 O  X     0.0007    0.0101    0.0140    0.0043    0.0151    0.0018
            Y    -0.0025    0.0029    0.0107    0.0035    0.0084   -0.0062
            Z    -0.0019   -0.0053    0.0063   -0.0057    0.0001   -0.0101
 AT. 104 O  X     0.0007    0.0101    0.0140   -0.0043   -0.0151   -0.0018
            Y    -0.0025    0.0029    0.0107   -0.0035   -0.0084    0.0062
            Z     0.0019    0.0053   -0.0063   -0.0057    0.0001   -0.0101
 AT. 105 O  X     0.0007   -0.0101    0.0140   -0.0043   -0.0151    0.0018
            Y     0.0025    0.0029   -0.0107    0.0035    0.0084    0.0062
            Z     0.0019   -0.0053   -0.0063   -0.0057    0.0001    0.0101
 AT. 106 O  X     0.0007   -0.0101    0.0140    0.0043    0.0151   -0.0018
            Y     0.0025    0.0029   -0.0107   -0.0035   -0.0084   -0.0062
            Z    -0.0019    0.0053    0.0063   -0.0057    0.0001    0.0101
 AT. 107 O  X    -0.0007   -0.0101    0.0140   -0.0043    0.0151    0.0018
            Y     0.0025   -0.0029    0.0107   -0.0035    0.0084   -0.0062
            Z     0.0019    0.0053    0.0063    0.0057    0.0001   -0.0101
 AT. 108 O  X    -0.0007   -0.0101    0.0140    0.0043   -0.0151   -0.0018
            Y     0.0025   -0.0029    0.0107    0.0035   -0.0084    0.0062
            Z    -0.0019   -0.0053   -0.0063    0.0057    0.0001   -0.0101
 AT. 109 O  X     0.0038    0.0003   -0.0008    0.0071    0.0009   -0.0041
            Y     0.0143   -0.0262    0.0015    0.0174    0.0115   -0.0168
            Z     0.0050   -0.0094    0.0113    0.0012    0.0030   -0.0054
 AT. 110 O  X     0.0038    0.0003   -0.0008   -0.0071   -0.0009    0.0041
            Y     0.0143   -0.0262    0.0015   -0.0174   -0.0115    0.0168
            Z    -0.0050    0.0094   -0.0113    0.0012    0.0030   -0.0054
 AT. 111 O  X    -0.0038    0.0003   -0.0008    0.0071   -0.0009   -0.0041
            Y     0.0143    0.0262   -0.0015   -0.0174    0.0115    0.0168
            Z     0.0050    0.0094   -0.0113   -0.0012    0.0030    0.0054
 AT. 112 O  X    -0.0038    0.0003   -0.0008   -0.0071    0.0009    0.0041
            Y     0.0143    0.0262   -0.0015    0.0174   -0.0115   -0.0168
            Z    -0.0050   -0.0094    0.0113   -0.0012    0.0030    0.0054
 AT. 113 O  X    -0.0038   -0.0003   -0.0008   -0.0071    0.0009   -0.0041
            Y    -0.0143    0.0262    0.0015   -0.0174    0.0115   -0.0168
            Z    -0.0050    0.0094    0.0113   -0.0012    0.0030   -0.0054
 AT. 114 O  X    -0.0038   -0.0003   -0.0008    0.0071   -0.0009    0.0041
            Y    -0.0143    0.0262    0.0015    0.0174   -0.0115    0.0168
            Z     0.0050   -0.0094   -0.0113   -0.0012    0.0030   -0.0054
 AT. 115 O  X     0.0038   -0.0003   -0.0008   -0.0071   -0.0009   -0.0041
            Y    -0.0143   -0.0262   -0.0015    0.0174    0.0115    0.0168
            Z    -0.0050   -0.0094   -0.0113    0.0012    0.0030    0.0054
 AT. 116 O  X     0.0038   -0.0003   -0.0008    0.0071    0.0009    0.0041
            Y    -0.0143   -0.0262   -0.0015   -0.0174   -0.0115   -0.0168
            Z     0.0050    0.0094    0.0113    0.0012    0.0030    0.0054
 AT. 117 O  X    -0.0035    0.0065   -0.0006   -0.0039   -0.0032   -0.0016
            Y    -0.0086    0.0079    0.0038    0.0023   -0.0119    0.0063
            Z     0.0071   -0.0064    0.0026   -0.0026    0.0055   -0.0009
 AT. 118 O  X    -0.0035    0.0065   -0.0006    0.0039    0.0032    0.0016
            Y    -0.0086    0.0079    0.0038   -0.0023    0.0119   -0.0063
            Z    -0.0071    0.0064   -0.0026   -0.0026    0.0055   -0.0009
 AT. 119 O  X     0.0035    0.0065   -0.0006   -0.0039    0.0032   -0.0016
            Y    -0.0086   -0.0079   -0.0038   -0.0023   -0.0119   -0.0063
            Z     0.0071    0.0064   -0.0026    0.0026    0.0055    0.0009
 AT. 120 O  X     0.0035    0.0065   -0.0006    0.0039   -0.0032    0.0016
            Y    -0.0086   -0.0079   -0.0038    0.0023    0.0119    0.0063
            Z    -0.0071   -0.0064    0.0026    0.0026    0.0055    0.0009
 AT. 121 O  X     0.0035   -0.0065   -0.0006    0.0039   -0.0032   -0.0016
            Y     0.0086   -0.0079    0.0038   -0.0023   -0.0119    0.0063
            Z    -0.0071    0.0064    0.0026    0.0026    0.0055   -0.0009
 AT. 122 O  X     0.0035   -0.0065   -0.0006   -0.0039    0.0032    0.0016
            Y     0.0086   -0.0079    0.0038    0.0023    0.0119   -0.0063
            Z     0.0071   -0.0064   -0.0026    0.0026    0.0055   -0.0009
 AT. 123 O  X    -0.0035   -0.0065   -0.0006    0.0039    0.0032   -0.0016
            Y     0.0086    0.0079   -0.0038    0.0023   -0.0119   -0.0063
            Z    -0.0071   -0.0064   -0.0026   -0.0026    0.0055    0.0009
 AT. 124 O  X    -0.0035   -0.0065   -0.0006   -0.0039   -0.0032    0.0016
            Y     0.0086    0.0079   -0.0038   -0.0023    0.0119    0.0063
            Z     0.0071    0.0064    0.0026   -0.0026    0.0055    0.0009

 FREQ(CM**-1)    290.20    293.51    296.91    299.22    300.49    302.03

 AT.   1 SI X     0.0020    0.0001   -0.0049   -0.0020    0.0067   -0.0022
            Y     0.0033   -0.0022    0.0004    0.0045   -0.0039    0.0039
            Z    -0.0016    0.0055    0.0029   -0.0040    0.0003   -0.0005
 AT.   2 SI X    -0.0020    0.0001   -0.0049    0.0020   -0.0067   -0.0022
            Y    -0.0033   -0.0022    0.0004   -0.0045    0.0039    0.0039
            Z    -0.0016   -0.0055   -0.0029   -0.0040    0.0003    0.0005
 AT.   3 SI X    -0.0020   -0.0001   -0.0049   -0.0020    0.0067    0.0022
            Y     0.0033   -0.0022   -0.0004   -0.0045    0.0039    0.0039
            Z    -0.0016    0.0055   -0.0029    0.0040   -0.0003   -0.0005
 AT.   4 SI X     0.0020   -0.0001   -0.0049    0.0020   -0.0067    0.0022
            Y    -0.0033   -0.0022   -0.0004    0.0045   -0.0039    0.0039
            Z    -0.0016   -0.0055    0.0029    0.0040   -0.0003    0.0005
 AT.   5 SI X    -0.0020   -0.0001   -0.0049   -0.0020   -0.0067    0.0022
            Y    -0.0033    0.0022    0.0004    0.0045    0.0039   -0.0039
            Z     0.0016   -0.0055    0.0029   -0.0040   -0.0003    0.0005
 AT.   6 SI X     0.0020   -0.0001   -0.0049    0.0020    0.0067    0.0022
            Y     0.0033    0.0022    0.0004   -0.0045   -0.0039   -0.0039
            Z     0.0016    0.0055   -0.0029   -0.0040   -0.0003   -0.0005
 AT.   7 SI X     0.0020    0.0001   -0.0049   -0.0020   -0.0067   -0.0022
            Y    -0.0033    0.0022   -0.0004   -0.0045   -0.0039   -0.0039
            Z     0.0016   -0.0055   -0.0029    0.0040    0.0003    0.0005
 AT.   8 SI X    -0.0020    0.0001   -0.0049    0.0020    0.0067   -0.0022
            Y     0.0033    0.0022   -0.0004    0.0045    0.0039   -0.0039
            Z     0.0016    0.0055    0.0029    0.0040    0.0003   -0.0005
 AT.   9 SI X    -0.0020   -0.0013    0.0063    0.0055   -0.0002   -0.0061
            Y    -0.0074    0.0021    0.0063   -0.0006   -0.0006    0.0022
            Z     0.0011   -0.0112   -0.0025    0.0094    0.0075   -0.0043
 AT.  10 SI X     0.0020   -0.0013    0.0063   -0.0055    0.0002   -0.0061
            Y     0.0074    0.0021    0.0063    0.0006    0.0006    0.0022
            Z     0.0011    0.0112    0.0025    0.0094    0.0075    0.0043
 AT.  11 SI X     0.0020    0.0013    0.0063    0.0055   -0.0002    0.0061
            Y    -0.0074    0.0021   -0.0063    0.0006    0.0006    0.0022
            Z     0.0011   -0.0112    0.0025   -0.0094   -0.0075   -0.0043
 AT.  12 SI X    -0.0020    0.0013    0.0063   -0.0055    0.0002    0.0061
            Y     0.0074    0.0021   -0.0063   -0.0006   -0.0006    0.0022
            Z     0.0011    0.0112   -0.0025   -0.0094   -0.0075    0.0043
 AT.  13 SI X     0.0020    0.0013    0.0063    0.0055    0.0002    0.0061
            Y     0.0074   -0.0021    0.0063   -0.0006    0.0006   -0.0022
            Z    -0.0011    0.0112   -0.0025    0.0094   -0.0075    0.0043
 AT.  14 SI X    -0.0020    0.0013    0.0063   -0.0055   -0.0002    0.0061
            Y    -0.0074   -0.0021    0.0063    0.0006   -0.0006   -0.0022
            Z    -0.0011   -0.0112    0.0025    0.0094   -0.0075   -0.0043
 AT.  15 SI X    -0.0020   -0.0013    0.0063    0.0055    0.0002   -0.0061
            Y     0.0074   -0.0021   -0.0063    0.0006   -0.0006   -0.0022
            Z    -0.0011    0.0112    0.0025   -0.0094    0.0075    0.0043
 AT.  16 SI X     0.0020   -0.0013    0.0063   -0.0055   -0.0002   -0.0061
            Y    -0.0074   -0.0021   -0.0063   -0.0006    0.0006   -0.0022
            Z    -0.0011   -0.0112   -0.0025   -0.0094    0.0075   -0.0043
 AT.  17 SI X     0.0044    0.0000   -0.0050    0.0000    0.0000    0.0000
            Y     0.0000   -0.0022    0.0000    0.0023    0.0011    0.0013
            Z     0.0032    0.0000   -0.0013    0.0000    0.0000    0.0000
 AT.  18 SI X    -0.0044    0.0000   -0.0050    0.0000    0.0000    0.0000
            Y     0.0000   -0.0022    0.0000   -0.0023   -0.0011    0.0013
            Z     0.0032    0.0000    0.0013    0.0000    0.0000    0.0000
 AT.  19 SI X    -0.0044    0.0000   -0.0050    0.0000    0.0000    0.0000
            Y     0.0000    0.0022    0.0000    0.0023   -0.0011   -0.0013
            Z    -0.0032    0.0000   -0.0013    0.0000    0.0000    0.0000
 AT.  20 SI X     0.0044    0.0000   -0.0050    0.0000    0.0000    0.0000
            Y     0.0000    0.0022    0.0000   -0.0023    0.0011   -0.0013
            Z    -0.0032    0.0000    0.0013    0.0000    0.0000    0.0000
 AT.  21 CA X     0.0040    0.0018    0.0016   -0.0001    0.0004    0.0039
            Y     0.0150    0.0081   -0.0083   -0.0048    0.0113   -0.0076
            Z    -0.0003    0.0067   -0.0068   -0.0096   -0.0033    0.0024
 AT.  22 CA X    -0.0040    0.0018    0.0016    0.0001   -0.0004    0.0039
            Y    -0.0150    0.0081   -0.0083    0.0048   -0.0113   -0.0076
            Z    -0.0003   -0.0067    0.0068   -0.0096   -0.0033   -0.0024
 AT.  23 CA X    -0.0040   -0.0018    0.0016   -0.0001    0.0004   -0.0039
            Y     0.0150    0.0081    0.0083    0.0048   -0.0113   -0.0076
            Z    -0.0003    0.0067    0.0068    0.0096    0.0033    0.0024
 AT.  24 CA X     0.0040   -0.0018    0.0016    0.0001   -0.0004   -0.0039
            Y    -0.0150    0.0081    0.0083   -0.0048    0.0113   -0.0076
            Z    -0.0003   -0.0067   -0.0068    0.0096    0.0033   -0.0024
 AT.  25 CA X    -0.0040   -0.0018    0.0016   -0.0001   -0.0004   -0.0039
            Y    -0.0150   -0.0081   -0.0083   -0.0048   -0.0113    0.0076
            Z     0.0003   -0.0067   -0.0068   -0.0096    0.0033   -0.0024
 AT.  26 CA X     0.0040   -0.0018    0.0016    0.0001    0.0004   -0.0039
            Y     0.0150   -0.0081   -0.0083    0.0048    0.0113    0.0076
            Z     0.0003    0.0067    0.0068   -0.0096    0.0033    0.0024
 AT.  27 CA X     0.0040    0.0018    0.0016   -0.0001   -0.0004    0.0039
            Y    -0.0150   -0.0081    0.0083    0.0048    0.0113    0.0076
            Z     0.0003   -0.0067    0.0068    0.0096   -0.0033   -0.0024
 AT.  28 CA X    -0.0040    0.0018    0.0016    0.0001    0.0004    0.0039
            Y     0.0150   -0.0081    0.0083   -0.0048   -0.0113    0.0076
            Z     0.0003    0.0067   -0.0068    0.0096   -0.0033    0.0024
 AT.  29 CA X     0.0000    0.0000    0.0082    0.0056    0.0000    0.0000
            Y     0.0000    0.0000   -0.0110   -0.0073    0.0000    0.0000
            Z     0.0000    0.0000   -0.0025    0.0041    0.0000    0.0000
 AT.  30 CA X     0.0000    0.0000    0.0082   -0.0056    0.0000    0.0000
            Y     0.0000    0.0000   -0.0110    0.0073    0.0000    0.0000
            Z     0.0000    0.0000    0.0025    0.0041    0.0000    0.0000
 AT.  31 CA X     0.0000    0.0000    0.0082    0.0056    0.0000    0.0000
            Y     0.0000    0.0000    0.0110    0.0073    0.0000    0.0000
            Z     0.0000    0.0000    0.0025   -0.0041    0.0000    0.0000
 AT.  32 CA X     0.0000    0.0000    0.0082   -0.0056    0.0000    0.0000
            Y     0.0000    0.0000    0.0110   -0.0073    0.0000    0.0000
            Z     0.0000    0.0000   -0.0025   -0.0041    0.0000    0.0000
 AT.  33 CA X    -0.0024    0.0035   -0.0009   -0.0067   -0.0065    0.0097
            Y    -0.0024    0.0036    0.0066    0.0020   -0.0017   -0.0055
            Z     0.0077   -0.0044   -0.0049    0.0029    0.0050    0.0000
 AT.  34 CA X     0.0024    0.0035   -0.0009    0.0067    0.0065    0.0097
            Y     0.0024    0.0036    0.0066   -0.0020    0.0017   -0.0055
            Z     0.0077    0.0044    0.0049    0.0029    0.0050    0.0000
 AT.  35 CA X     0.0024   -0.0035   -0.0009   -0.0067   -0.0065   -0.0097
            Y    -0.0024    0.0036   -0.0066   -0.0020    0.0017   -0.0055
            Z     0.0077   -0.0044    0.0049   -0.0029   -0.0050    0.0000
 AT.  36 CA X    -0.0024   -0.0035   -0.0009    0.0067    0.0065   -0.0097
            Y     0.0024    0.0036   -0.0066    0.0020   -0.0017   -0.0055
            Z     0.0077    0.0044   -0.0049   -0.0029   -0.0050    0.0000
 AT.  37 CA X     0.0024   -0.0035   -0.0009   -0.0067    0.0065   -0.0097
            Y     0.0024   -0.0036    0.0066    0.0020    0.0017    0.0055
            Z    -0.0077    0.0044   -0.0049    0.0029   -0.0050    0.0000
 AT.  38 CA X    -0.0024   -0.0035   -0.0009    0.0067   -0.0065   -0.0097
            Y    -0.0024   -0.0036    0.0066   -0.0020   -0.0017    0.0055
            Z    -0.0077   -0.0044    0.0049    0.0029   -0.0050    0.0000
 AT.  39 CA X    -0.0024    0.0035   -0.0009   -0.0067    0.0065    0.0097
            Y     0.0024   -0.0036   -0.0066   -0.0020   -0.0017    0.0055
            Z    -0.0077    0.0044    0.0049   -0.0029    0.0050    0.0000
 AT.  40 CA X     0.0024    0.0035   -0.0009    0.0067   -0.0065    0.0097
            Y    -0.0024   -0.0036   -0.0066    0.0020    0.0017    0.0055
            Z    -0.0077   -0.0044   -0.0049   -0.0029    0.0050    0.0000
 AT.  41 CA X    -0.0042    0.0015    0.0014   -0.0025    0.0029    0.0027
            Y    -0.0115    0.0057    0.0150    0.0029    0.0013   -0.0047
            Z     0.0017   -0.0042   -0.0014    0.0051   -0.0022   -0.0023
 AT.  42 CA X     0.0042    0.0015    0.0014    0.0025   -0.0029    0.0027
            Y     0.0115    0.0057    0.0150   -0.0029   -0.0013   -0.0047
            Z     0.0017    0.0042    0.0014    0.0051   -0.0022    0.0023
 AT.  43 CA X     0.0042   -0.0015    0.0014   -0.0025    0.0029   -0.0027
            Y    -0.0115    0.0057   -0.0150   -0.0029   -0.0013   -0.0047
            Z     0.0017   -0.0042    0.0014   -0.0051    0.0022   -0.0023
 AT.  44 CA X    -0.0042   -0.0015    0.0014    0.0025   -0.0029   -0.0027
            Y     0.0115    0.0057   -0.0150    0.0029    0.0013   -0.0047
            Z     0.0017    0.0042   -0.0014   -0.0051    0.0022    0.0023
 AT.  45 CA X     0.0042   -0.0015    0.0014   -0.0025   -0.0029   -0.0027
            Y     0.0115   -0.0057    0.0150    0.0029   -0.0013    0.0047
            Z    -0.0017    0.0042   -0.0014    0.0051    0.0022    0.0023
 AT.  46 CA X    -0.0042   -0.0015    0.0014    0.0025    0.0029   -0.0027
            Y    -0.0115   -0.0057    0.0150   -0.0029    0.0013    0.0047
            Z    -0.0017   -0.0042    0.0014    0.0051    0.0022   -0.0023
 AT.  47 CA X    -0.0042    0.0015    0.0014   -0.0025   -0.0029    0.0027
            Y     0.0115   -0.0057   -0.0150   -0.0029    0.0013    0.0047
            Z    -0.0017    0.0042    0.0014   -0.0051   -0.0022    0.0023
 AT.  48 CA X     0.0042    0.0015    0.0014    0.0025    0.0029    0.0027
            Y    -0.0115   -0.0057   -0.0150    0.0029   -0.0013    0.0047
            Z    -0.0017   -0.0042   -0.0014   -0.0051   -0.0022   -0.0023
 AT.  49 CA X     0.0026    0.0000   -0.0037    0.0000    0.0000    0.0000
            Y     0.0000   -0.0081    0.0000    0.0074   -0.0034    0.0004
            Z    -0.0118    0.0000    0.0130    0.0000    0.0000    0.0000
 AT.  50 CA X    -0.0026    0.0000   -0.0037    0.0000    0.0000    0.0000
            Y     0.0000   -0.0081    0.0000   -0.0074    0.0034    0.0004
            Z    -0.0118    0.0000   -0.0130    0.0000    0.0000    0.0000
 AT.  51 CA X    -0.0026    0.0000   -0.0037    0.0000    0.0000    0.0000
            Y     0.0000    0.0081    0.0000    0.0074    0.0034   -0.0004
            Z     0.0118    0.0000    0.0130    0.0000    0.0000    0.0000
 AT.  52 CA X     0.0026    0.0000   -0.0037    0.0000    0.0000    0.0000
            Y     0.0000    0.0081    0.0000   -0.0074   -0.0034   -0.0004
            Z     0.0118    0.0000   -0.0130    0.0000    0.0000    0.0000
 AT.  53 O  X     0.0140    0.0055   -0.0089   -0.0005    0.0179   -0.0140
            Y    -0.0005   -0.0042    0.0004    0.0022   -0.0084    0.0073
            Z    -0.0005   -0.0033   -0.0115   -0.0095    0.0005    0.0024
 AT.  54 O  X    -0.0140    0.0055   -0.0089    0.0005   -0.0179   -0.0140
            Y     0.0005   -0.0042    0.0004   -0.0022    0.0084    0.0073
            Z    -0.0005    0.0033    0.0115   -0.0095    0.0005   -0.0024
 AT.  55 O  X    -0.0140   -0.0055   -0.0089   -0.0005    0.0179    0.0140
            Y    -0.0005   -0.0042   -0.0004   -0.0022    0.0084    0.0073
            Z    -0.0005   -0.0033    0.0115    0.0095   -0.0005    0.0024
 AT.  56 O  X     0.0140   -0.0055   -0.0089    0.0005   -0.0179    0.0140
            Y     0.0005   -0.0042   -0.0004    0.0022   -0.0084    0.0073
            Z    -0.0005    0.0033   -0.0115    0.0095   -0.0005   -0.0024
 AT.  57 O  X    -0.0140   -0.0055   -0.0089   -0.0005   -0.0179    0.0140
            Y     0.0005    0.0042    0.0004    0.0022    0.0084   -0.0073
            Z     0.0005    0.0033   -0.0115   -0.0095   -0.0005   -0.0024
 AT.  58 O  X     0.0140   -0.0055   -0.0089    0.0005    0.0179    0.0140
            Y    -0.0005    0.0042    0.0004   -0.0022   -0.0084   -0.0073
            Z     0.0005   -0.0033    0.0115   -0.0095   -0.0005    0.0024
 AT.  59 O  X     0.0140    0.0055   -0.0089   -0.0005   -0.0179   -0.0140
            Y     0.0005    0.0042   -0.0004   -0.0022   -0.0084   -0.0073
            Z     0.0005    0.0033    0.0115    0.0095    0.0005   -0.0024
 AT.  60 O  X    -0.0140    0.0055   -0.0089    0.0005    0.0179   -0.0140
            Y    -0.0005    0.0042   -0.0004    0.0022    0.0084   -0.0073
            Z     0.0005   -0.0033   -0.0115    0.0095    0.0005    0.0024
 AT.  61 O  X    -0.0077   -0.0126   -0.0048    0.0043    0.0028   -0.0007
            Y    -0.0091   -0.0100   -0.0009   -0.0019   -0.0156    0.0134
            Z     0.0004    0.0033    0.0053    0.0044    0.0043   -0.0050
 AT.  62 O  X     0.0077   -0.0126   -0.0048   -0.0043   -0.0028   -0.0007
            Y     0.0091   -0.0100   -0.0009    0.0019    0.0156    0.0134
            Z     0.0004   -0.0033   -0.0053    0.0044    0.0043    0.0050
 AT.  63 O  X     0.0077    0.0126   -0.0048    0.0043    0.0028    0.0007
            Y    -0.0091   -0.0100    0.0009    0.0019    0.0156    0.0134
            Z     0.0004    0.0033   -0.0053   -0.0044   -0.0043   -0.0050
 AT.  64 O  X    -0.0077    0.0126   -0.0048   -0.0043   -0.0028    0.0007
            Y     0.0091   -0.0100    0.0009   -0.0019   -0.0156    0.0134
            Z     0.0004   -0.0033    0.0053   -0.0044   -0.0043    0.0050
 AT.  65 O  X     0.0077    0.0126   -0.0048    0.0043   -0.0028    0.0007
            Y     0.0091    0.0100   -0.0009   -0.0019    0.0156   -0.0134
            Z    -0.0004   -0.0033    0.0053    0.0044   -0.0043    0.0050
 AT.  66 O  X    -0.0077    0.0126   -0.0048   -0.0043    0.0028    0.0007
            Y    -0.0091    0.0100   -0.0009    0.0019   -0.0156   -0.0134
            Z    -0.0004    0.0033   -0.0053    0.0044   -0.0043   -0.0050
 AT.  67 O  X    -0.0077   -0.0126   -0.0048    0.0043   -0.0028   -0.0007
            Y     0.0091    0.0100    0.0009    0.0019   -0.0156   -0.0134
            Z    -0.0004   -0.0033   -0.0053   -0.0044    0.0043    0.0050
 AT.  68 O  X     0.0077   -0.0126   -0.0048   -0.0043    0.0028   -0.0007
            Y    -0.0091    0.0100    0.0009   -0.0019    0.0156   -0.0134
            Z    -0.0004    0.0033    0.0053   -0.0044    0.0043   -0.0050
 AT.  69 O  X    -0.0074    0.0001    0.0011   -0.0054   -0.0038    0.0076
            Y    -0.0128   -0.0100    0.0137    0.0123   -0.0123    0.0117
            Z    -0.0056    0.0014    0.0069    0.0026    0.0003   -0.0015
 AT.  70 O  X     0.0074    0.0001    0.0011    0.0054    0.0038    0.0076
            Y     0.0128   -0.0100    0.0137   -0.0123    0.0123    0.0117
            Z    -0.0056   -0.0014   -0.0069    0.0026    0.0003    0.0015
 AT.  71 O  X     0.0074   -0.0001    0.0011   -0.0054   -0.0038   -0.0076
            Y    -0.0128   -0.0100   -0.0137   -0.0123    0.0123    0.0117
            Z    -0.0056    0.0014   -0.0069   -0.0026   -0.0003   -0.0015
 AT.  72 O  X    -0.0074   -0.0001    0.0011    0.0054    0.0038   -0.0076
            Y     0.0128   -0.0100   -0.0137    0.0123   -0.0123    0.0117
            Z    -0.0056   -0.0014    0.0069   -0.0026   -0.0003    0.0015
 AT.  73 O  X     0.0074   -0.0001    0.0011   -0.0054    0.0038   -0.0076
            Y     0.0128    0.0100    0.0137    0.0123    0.0123   -0.0117
            Z     0.0056   -0.0014    0.0069    0.0026   -0.0003    0.0015
 AT.  74 O  X    -0.0074   -0.0001    0.0011    0.0054   -0.0038   -0.0076
            Y    -0.0128    0.0100    0.0137   -0.0123   -0.0123   -0.0117
            Z     0.0056    0.0014   -0.0069    0.0026   -0.0003   -0.0015
 AT.  75 O  X    -0.0074    0.0001    0.0011   -0.0054    0.0038    0.0076
            Y     0.0128    0.0100   -0.0137   -0.0123   -0.0123   -0.0117
            Z     0.0056   -0.0014   -0.0069   -0.0026    0.0003    0.0015
 AT.  76 O  X     0.0074    0.0001    0.0011    0.0054   -0.0038    0.0076
            Y    -0.0128    0.0100   -0.0137    0.0123    0.0123   -0.0117
            Z     0.0056    0.0014    0.0069   -0.0026    0.0003   -0.0015
 AT.  77 O  X     0.0021   -0.0003   -0.0057   -0.0019    0.0077   -0.0030
            Y     0.0286    0.0155   -0.0126   -0.0062    0.0194   -0.0184
            Z    -0.0016    0.0143    0.0103   -0.0043   -0.0088    0.0032
 AT.  78 O  X    -0.0021   -0.0003   -0.0057    0.0019   -0.0077   -0.0030
            Y    -0.0286    0.0155   -0.0126    0.0062   -0.0194   -0.0184
            Z    -0.0016   -0.0143   -0.0103   -0.0043   -0.0088   -0.0032
 AT.  79 O  X    -0.0021    0.0003   -0.0057   -0.0019    0.0077    0.0030
            Y     0.0286    0.0155    0.0126    0.0062   -0.0194   -0.0184
            Z    -0.0016    0.0143   -0.0103    0.0043    0.0088    0.0032
 AT.  80 O  X     0.0021    0.0003   -0.0057    0.0019   -0.0077    0.0030
            Y    -0.0286    0.0155    0.0126   -0.0062    0.0194   -0.0184
            Z    -0.0016   -0.0143    0.0103    0.0043    0.0088   -0.0032
 AT.  81 O  X    -0.0021    0.0003   -0.0057   -0.0019   -0.0077    0.0030
            Y    -0.0286   -0.0155   -0.0126   -0.0062   -0.0194    0.0184
            Z     0.0016   -0.0143    0.0103   -0.0043    0.0088   -0.0032
 AT.  82 O  X     0.0021    0.0003   -0.0057    0.0019    0.0077    0.0030
            Y     0.0286   -0.0155   -0.0126    0.0062    0.0194    0.0184
            Z     0.0016    0.0143   -0.0103   -0.0043    0.0088    0.0032
 AT.  83 O  X     0.0021   -0.0003   -0.0057   -0.0019   -0.0077   -0.0030
            Y    -0.0286   -0.0155    0.0126    0.0062    0.0194    0.0184
            Z     0.0016   -0.0143   -0.0103    0.0043   -0.0088   -0.0032
 AT.  84 O  X    -0.0021   -0.0003   -0.0057    0.0019    0.0077   -0.0030
            Y     0.0286   -0.0155    0.0126   -0.0062   -0.0194    0.0184
            Z     0.0016    0.0143    0.0103    0.0043   -0.0088    0.0032
 AT.  85 O  X     0.0013   -0.0108   -0.0004    0.0080    0.0088   -0.0062
            Y    -0.0002    0.0069   -0.0084   -0.0190   -0.0075    0.0207
            Z    -0.0006   -0.0184    0.0011    0.0197    0.0153   -0.0138
 AT.  86 O  X    -0.0013   -0.0108   -0.0004   -0.0080   -0.0088   -0.0062
            Y     0.0002    0.0069   -0.0084    0.0190    0.0075    0.0207
            Z    -0.0006    0.0184   -0.0011    0.0197    0.0153    0.0138
 AT.  87 O  X    -0.0013    0.0108   -0.0004    0.0080    0.0088    0.0062
            Y    -0.0002    0.0069    0.0084    0.0190    0.0075    0.0207
            Z    -0.0006   -0.0184   -0.0011   -0.0197   -0.0153   -0.0138
 AT.  88 O  X     0.0013    0.0108   -0.0004   -0.0080   -0.0088    0.0062
            Y     0.0002    0.0069    0.0084   -0.0190   -0.0075    0.0207
            Z    -0.0006    0.0184    0.0011   -0.0197   -0.0153    0.0138
 AT.  89 O  X    -0.0013    0.0108   -0.0004    0.0080   -0.0088    0.0062
            Y     0.0002   -0.0069   -0.0084   -0.0190    0.0075   -0.0207
            Z     0.0006    0.0184    0.0011    0.0197   -0.0153    0.0138
 AT.  90 O  X     0.0013    0.0108   -0.0004   -0.0080    0.0088    0.0062
            Y    -0.0002   -0.0069   -0.0084    0.0190   -0.0075   -0.0207
            Z     0.0006   -0.0184   -0.0011    0.0197   -0.0153   -0.0138
 AT.  91 O  X     0.0013   -0.0108   -0.0004    0.0080   -0.0088   -0.0062
            Y     0.0002   -0.0069    0.0084    0.0190   -0.0075   -0.0207
            Z     0.0006    0.0184   -0.0011   -0.0197    0.0153    0.0138
 AT.  92 O  X    -0.0013   -0.0108   -0.0004   -0.0080    0.0088   -0.0062
            Y    -0.0002   -0.0069    0.0084   -0.0190    0.0075   -0.0207
            Z     0.0006   -0.0184    0.0011   -0.0197    0.0153   -0.0138
 AT.  93 O  X    -0.0035    0.0100    0.0130    0.0021   -0.0051   -0.0101
            Y    -0.0063   -0.0042    0.0038    0.0033    0.0025    0.0015
            Z    -0.0001   -0.0058   -0.0026    0.0011    0.0002    0.0060
 AT.  94 O  X     0.0035    0.0100    0.0130   -0.0021    0.0051   -0.0101
            Y     0.0063   -0.0042    0.0038   -0.0033   -0.0025    0.0015
            Z    -0.0001    0.0058    0.0026    0.0011    0.0002   -0.0060
 AT.  95 O  X     0.0035   -0.0100    0.0130    0.0021   -0.0051    0.0101
            Y    -0.0063   -0.0042   -0.0038   -0.0033   -0.0025    0.0015
            Z    -0.0001   -0.0058    0.0026   -0.0011   -0.0002    0.0060
 AT.  96 O  X    -0.0035   -0.0100    0.0130   -0.0021    0.0051    0.0101
            Y     0.0063   -0.0042   -0.0038    0.0033    0.0025    0.0015
            Z    -0.0001    0.0058   -0.0026   -0.0011   -0.0002   -0.0060
 AT.  97 O  X     0.0035   -0.0100    0.0130    0.0021    0.0051    0.0101
            Y     0.0063    0.0042    0.0038    0.0033   -0.0025   -0.0015
            Z     0.0001    0.0058   -0.0026    0.0011   -0.0002   -0.0060
 AT.  98 O  X    -0.0035   -0.0100    0.0130   -0.0021   -0.0051    0.0101
            Y    -0.0063    0.0042    0.0038   -0.0033    0.0025   -0.0015
            Z     0.0001   -0.0058    0.0026    0.0011   -0.0002    0.0060
 AT.  99 O  X    -0.0035    0.0100    0.0130    0.0021    0.0051   -0.0101
            Y     0.0063    0.0042   -0.0038   -0.0033    0.0025   -0.0015
            Z     0.0001    0.0058    0.0026   -0.0011    0.0002   -0.0060
 AT. 100 O  X     0.0035    0.0100    0.0130   -0.0021   -0.0051   -0.0101
            Y    -0.0063    0.0042   -0.0038    0.0033   -0.0025   -0.0015
            Z     0.0001   -0.0058   -0.0026   -0.0011    0.0002    0.0060
 AT. 101 O  X     0.0030   -0.0027   -0.0038    0.0023   -0.0003   -0.0009
            Y     0.0031   -0.0140   -0.0019    0.0137    0.0120   -0.0053
            Z     0.0033   -0.0161   -0.0004    0.0161    0.0126   -0.0094
 AT. 102 O  X    -0.0030   -0.0027   -0.0038   -0.0023    0.0003   -0.0009
            Y    -0.0031   -0.0140   -0.0019   -0.0137   -0.0120   -0.0053
            Z     0.0033    0.0161    0.0004    0.0161    0.0126    0.0094
 AT. 103 O  X    -0.0030    0.0027   -0.0038    0.0023   -0.0003    0.0009
            Y     0.0031   -0.0140    0.0019   -0.0137   -0.0120   -0.0053
            Z     0.0033   -0.0161    0.0004   -0.0161   -0.0126   -0.0094
 AT. 104 O  X     0.0030    0.0027   -0.0038   -0.0023    0.0003    0.0009
            Y    -0.0031   -0.0140    0.0019    0.0137    0.0120   -0.0053
            Z     0.0033    0.0161   -0.0004   -0.0161   -0.0126    0.0094
 AT. 105 O  X    -0.0030    0.0027   -0.0038    0.0023    0.0003    0.0009
            Y    -0.0031    0.0140   -0.0019    0.0137   -0.0120    0.0053
            Z    -0.0033    0.0161   -0.0004    0.0161   -0.0126    0.0094
 AT. 106 O  X     0.0030    0.0027   -0.0038   -0.0023   -0.0003    0.0009
            Y     0.0031    0.0140   -0.0019   -0.0137    0.0120    0.0053
            Z    -0.0033   -0.0161    0.0004    0.0161   -0.0126   -0.0094
 AT. 107 O  X     0.0030   -0.0027   -0.0038    0.0023    0.0003   -0.0009
            Y    -0.0031    0.0140    0.0019   -0.0137    0.0120    0.0053
            Z    -0.0033    0.0161    0.0004   -0.0161    0.0126    0.0094
 AT. 108 O  X    -0.0030   -0.0027   -0.0038   -0.0023   -0.0003   -0.0009
            Y     0.0031    0.0140    0.0019    0.0137   -0.0120    0.0053
            Z    -0.0033   -0.0161   -0.0004   -0.0161    0.0126   -0.0094
 AT. 109 O  X    -0.0020   -0.0009    0.0065    0.0052   -0.0002   -0.0061
            Y    -0.0032    0.0102    0.0110    0.0030   -0.0093   -0.0122
            Z    -0.0074    0.0074    0.0031   -0.0085   -0.0076    0.0035
 AT. 110 O  X     0.0020   -0.0009    0.0065   -0.0052    0.0002   -0.0061
            Y     0.0032    0.0102    0.0110   -0.0030    0.0093   -0.0122
            Z    -0.0074   -0.0074   -0.0031   -0.0085   -0.0076   -0.0035
 AT. 111 O  X     0.0020    0.0009    0.0065    0.0052   -0.0002    0.0061
            Y    -0.0032    0.0102   -0.0110   -0.0030    0.0093   -0.0122
            Z    -0.0074    0.0074   -0.0031    0.0085    0.0076    0.0035
 AT. 112 O  X    -0.0020    0.0009    0.0065   -0.0052    0.0002    0.0061
            Y     0.0032    0.0102   -0.0110    0.0030   -0.0093   -0.0122
            Z    -0.0074   -0.0074    0.0031    0.0085    0.0076   -0.0035
 AT. 113 O  X     0.0020    0.0009    0.0065    0.0052    0.0002    0.0061
            Y     0.0032   -0.0102    0.0110    0.0030    0.0093    0.0122
            Z     0.0074   -0.0074    0.0031   -0.0085    0.0076   -0.0035
 AT. 114 O  X    -0.0020    0.0009    0.0065   -0.0052   -0.0002    0.0061
            Y    -0.0032   -0.0102    0.0110   -0.0030   -0.0093    0.0122
            Z     0.0074    0.0074   -0.0031   -0.0085    0.0076    0.0035
 AT. 115 O  X    -0.0020   -0.0009    0.0065    0.0052    0.0002   -0.0061
            Y     0.0032   -0.0102   -0.0110   -0.0030   -0.0093    0.0122
            Z     0.0074   -0.0074   -0.0031    0.0085   -0.0076   -0.0035
 AT. 116 O  X     0.0020   -0.0009    0.0065   -0.0052   -0.0002   -0.0061
            Y    -0.0032   -0.0102   -0.0110    0.0030    0.0093    0.0122
            Z     0.0074    0.0074    0.0031    0.0085   -0.0076    0.0035
 AT. 117 O  X     0.0050    0.0084   -0.0056   -0.0126   -0.0085    0.0105
            Y     0.0105   -0.0037   -0.0102    0.0003    0.0004    0.0029
            Z    -0.0060   -0.0080    0.0073    0.0140    0.0095   -0.0116
 AT. 118 O  X    -0.0050    0.0084   -0.0056    0.0126    0.0085    0.0105
            Y    -0.0105   -0.0037   -0.0102   -0.0003   -0.0004    0.0029
            Z    -0.0060    0.0080   -0.0073    0.0140    0.0095    0.0116
 AT. 119 O  X    -0.0050   -0.0084   -0.0056   -0.0126   -0.0085   -0.0105
            Y     0.0105   -0.0037    0.0102   -0.0003   -0.0004    0.0029
            Z    -0.0060   -0.0080   -0.0073   -0.0140   -0.0095   -0.0116
 AT. 120 O  X     0.0050   -0.0084   -0.0056    0.0126    0.0085   -0.0105
            Y    -0.0105   -0.0037    0.0102    0.0003    0.0004    0.0029
            Z    -0.0060    0.0080    0.0073   -0.0140   -0.0095    0.0116
 AT. 121 O  X    -0.0050   -0.0084   -0.0056   -0.0126    0.0085   -0.0105
            Y    -0.0105    0.0037   -0.0102    0.0003   -0.0004   -0.0029
            Z     0.0060    0.0080    0.0073    0.0140   -0.0095    0.0116
 AT. 122 O  X     0.0050   -0.0084   -0.0056    0.0126   -0.0085   -0.0105
            Y     0.0105    0.0037   -0.0102   -0.0003    0.0004   -0.0029
            Z     0.0060   -0.0080   -0.0073    0.0140   -0.0095   -0.0116
 AT. 123 O  X     0.0050    0.0084   -0.0056   -0.0126    0.0085    0.0105
            Y    -0.0105    0.0037    0.0102   -0.0003    0.0004   -0.0029
            Z     0.0060    0.0080   -0.0073   -0.0140    0.0095    0.0116
 AT. 124 O  X    -0.0050    0.0084   -0.0056    0.0126   -0.0085    0.0105
            Y     0.0105    0.0037    0.0102    0.0003   -0.0004   -0.0029
            Z     0.0060   -0.0080    0.0073   -0.0140    0.0095   -0.0116

 FREQ(CM**-1)    302.07    302.95    304.29    306.62    306.87    307.79

 AT.   1 SI X     0.0026   -0.0033    0.0003    0.0037   -0.0008    0.0018
            Y     0.0008    0.0005    0.0124   -0.0054    0.0009   -0.0084
            Z     0.0052    0.0066    0.0010    0.0037    0.0024    0.0029
 AT.   2 SI X    -0.0026   -0.0033   -0.0003    0.0037    0.0008    0.0018
            Y    -0.0008    0.0005   -0.0124   -0.0054   -0.0009   -0.0084
            Z     0.0052   -0.0066    0.0010   -0.0037    0.0024   -0.0029
 AT.   3 SI X    -0.0026    0.0033   -0.0003    0.0037    0.0008    0.0018
            Y     0.0008    0.0005    0.0124    0.0054    0.0009    0.0084
            Z     0.0052    0.0066    0.0010   -0.0037    0.0024   -0.0029
 AT.   4 SI X     0.0026    0.0033    0.0003    0.0037   -0.0008    0.0018
            Y    -0.0008    0.0005   -0.0124    0.0054   -0.0009    0.0084
            Z     0.0052   -0.0066    0.0010    0.0037    0.0024    0.0029
 AT.   5 SI X    -0.0026   -0.0033   -0.0003   -0.0037   -0.0008    0.0018
            Y    -0.0008    0.0005   -0.0124    0.0054    0.0009   -0.0084
            Z    -0.0052    0.0066   -0.0010   -0.0037    0.0024    0.0029
 AT.   6 SI X     0.0026   -0.0033    0.0003   -0.0037    0.0008    0.0018
            Y     0.0008    0.0005    0.0124    0.0054   -0.0009   -0.0084
            Z    -0.0052   -0.0066   -0.0010    0.0037    0.0024   -0.0029
 AT.   7 SI X     0.0026    0.0033    0.0003   -0.0037    0.0008    0.0018
            Y    -0.0008    0.0005   -0.0124   -0.0054    0.0009    0.0084
            Z    -0.0052    0.0066   -0.0010    0.0037    0.0024   -0.0029
 AT.   8 SI X    -0.0026    0.0033   -0.0003   -0.0037   -0.0008    0.0018
            Y     0.0008    0.0005    0.0124   -0.0054   -0.0009    0.0084
            Z    -0.0052   -0.0066   -0.0010   -0.0037    0.0024    0.0029
 AT.   9 SI X     0.0063    0.0007   -0.0015   -0.0009   -0.0015    0.0035
            Y     0.0010   -0.0008   -0.0033   -0.0017    0.0005    0.0020
            Z    -0.0019   -0.0084    0.0010    0.0007    0.0004   -0.0012
 AT.  10 SI X    -0.0063    0.0007    0.0015   -0.0009    0.0015    0.0035
            Y    -0.0010   -0.0008    0.0033   -0.0017   -0.0005    0.0020
            Z    -0.0019    0.0084    0.0010   -0.0007    0.0004    0.0012
 AT.  11 SI X    -0.0063   -0.0007    0.0015   -0.0009    0.0015    0.0035
            Y     0.0010   -0.0008   -0.0033    0.0017    0.0005   -0.0020
            Z    -0.0019   -0.0084    0.0010   -0.0007    0.0004    0.0012
 AT.  12 SI X     0.0063   -0.0007   -0.0015   -0.0009   -0.0015    0.0035
            Y    -0.0010   -0.0008    0.0033    0.0017   -0.0005   -0.0020
            Z    -0.0019    0.0084    0.0010    0.0007    0.0004   -0.0012
 AT.  13 SI X    -0.0063    0.0007    0.0015    0.0009   -0.0015    0.0035
            Y    -0.0010   -0.0008    0.0033    0.0017    0.0005    0.0020
            Z     0.0019   -0.0084   -0.0010   -0.0007    0.0004   -0.0012
 AT.  14 SI X     0.0063    0.0007   -0.0015    0.0009    0.0015    0.0035
            Y     0.0010   -0.0008   -0.0033    0.0017   -0.0005    0.0020
            Z     0.0019    0.0084   -0.0010    0.0007    0.0004    0.0012
 AT.  15 SI X     0.0063   -0.0007   -0.0015    0.0009    0.0015    0.0035
            Y    -0.0010   -0.0008    0.0033   -0.0017    0.0005   -0.0020
            Z     0.0019   -0.0084   -0.0010    0.0007    0.0004    0.0012
 AT.  16 SI X    -0.0063   -0.0007    0.0015    0.0009   -0.0015    0.0035
            Y     0.0010   -0.0008   -0.0033   -0.0017   -0.0005   -0.0020
            Z     0.0019    0.0084   -0.0010   -0.0007    0.0004   -0.0012
 AT.  17 SI X     0.0058    0.0000    0.0054    0.0024    0.0037    0.0015
            Y     0.0000   -0.0033    0.0000    0.0000    0.0000    0.0000
            Z     0.0037    0.0000    0.0045   -0.0010    0.0027   -0.0006
 AT.  18 SI X    -0.0058    0.0000   -0.0054    0.0024   -0.0037    0.0015
            Y     0.0000   -0.0033    0.0000    0.0000    0.0000    0.0000
            Z     0.0037    0.0000    0.0045    0.0010    0.0027    0.0006
 AT.  19 SI X    -0.0058    0.0000   -0.0054   -0.0024    0.0037    0.0015
            Y     0.0000   -0.0033    0.0000    0.0000    0.0000    0.0000
            Z    -0.0037    0.0000   -0.0045    0.0010    0.0027   -0.0006
 AT.  20 SI X     0.0058    0.0000    0.0054   -0.0024   -0.0037    0.0015
            Y     0.0000   -0.0033    0.0000    0.0000    0.0000    0.0000
            Z    -0.0037    0.0000   -0.0045   -0.0010    0.0027    0.0006
 AT.  21 CA X     0.0007    0.0011    0.0081   -0.0012   -0.0024   -0.0026
            Y     0.0128   -0.0047    0.0093    0.0124   -0.0020    0.0082
            Z    -0.0014    0.0019   -0.0037    0.0056    0.0018    0.0015
 AT.  22 CA X    -0.0007    0.0011   -0.0081   -0.0012    0.0024   -0.0026
            Y    -0.0128   -0.0047   -0.0093    0.0124    0.0020    0.0082
            Z    -0.0014   -0.0019   -0.0037   -0.0056    0.0018   -0.0015
 AT.  23 CA X    -0.0007   -0.0011   -0.0081   -0.0012    0.0024   -0.0026
            Y     0.0128   -0.0047    0.0093   -0.0124   -0.0020   -0.0082
            Z    -0.0014    0.0019   -0.0037   -0.0056    0.0018   -0.0015
 AT.  24 CA X     0.0007   -0.0011    0.0081   -0.0012   -0.0024   -0.0026
            Y    -0.0128   -0.0047   -0.0093   -0.0124    0.0020   -0.0082
            Z    -0.0014   -0.0019   -0.0037    0.0056    0.0018    0.0015
 AT.  25 CA X    -0.0007    0.0011   -0.0081    0.0012   -0.0024   -0.0026
            Y    -0.0128   -0.0047   -0.0093   -0.0124   -0.0020    0.0082
            Z     0.0014    0.0019    0.0037   -0.0056    0.0018    0.0015
 AT.  26 CA X     0.0007    0.0011    0.0081    0.0012    0.0024   -0.0026
            Y     0.0128   -0.0047    0.0093   -0.0124    0.0020    0.0082
            Z     0.0014   -0.0019    0.0037    0.0056    0.0018   -0.0015
 AT.  27 CA X     0.0007   -0.0011    0.0081    0.0012    0.0024   -0.0026
            Y    -0.0128   -0.0047   -0.0093    0.0124   -0.0020   -0.0082
            Z     0.0014    0.0019    0.0037    0.0056    0.0018   -0.0015
 AT.  28 CA X    -0.0007   -0.0011   -0.0081    0.0012   -0.0024   -0.0026
            Y     0.0128   -0.0047    0.0093    0.0124    0.0020   -0.0082
            Z     0.0014   -0.0019    0.0037   -0.0056    0.0018    0.0015
 AT.  29 CA X     0.0000    0.0040    0.0000    0.0000   -0.0078   -0.0107
            Y     0.0000   -0.0005    0.0000    0.0000   -0.0100    0.0034
            Z     0.0000   -0.0023    0.0000    0.0000   -0.0162   -0.0070
 AT.  30 CA X     0.0000    0.0040    0.0000    0.0000    0.0078   -0.0107
            Y     0.0000   -0.0005    0.0000    0.0000    0.0100    0.0034
            Z     0.0000    0.0023    0.0000    0.0000   -0.0162    0.0070
 AT.  31 CA X     0.0000   -0.0040    0.0000    0.0000    0.0078   -0.0107
            Y     0.0000   -0.0005    0.0000    0.0000   -0.0100   -0.0034
            Z     0.0000   -0.0023    0.0000    0.0000   -0.0162    0.0070
 AT.  32 CA X     0.0000   -0.0040    0.0000    0.0000   -0.0078   -0.0107
            Y     0.0000   -0.0005    0.0000    0.0000    0.0100   -0.0034
            Z     0.0000    0.0023    0.0000    0.0000   -0.0162   -0.0070
 AT.  33 CA X    -0.0083    0.0066    0.0013    0.0013    0.0076   -0.0059
            Y     0.0077    0.0020   -0.0031    0.0010    0.0052    0.0043
            Z    -0.0072   -0.0071    0.0007   -0.0030   -0.0067   -0.0025
 AT.  34 CA X     0.0083    0.0066   -0.0013    0.0013   -0.0076   -0.0059
            Y    -0.0077    0.0020    0.0031    0.0010   -0.0052    0.0043
            Z    -0.0072    0.0071    0.0007    0.0030   -0.0067    0.0025
 AT.  35 CA X     0.0083   -0.0066   -0.0013    0.0013   -0.0076   -0.0059
            Y     0.0077    0.0020   -0.0031   -0.0010    0.0052   -0.0043
            Z    -0.0072   -0.0071    0.0007    0.0030   -0.0067    0.0025
 AT.  36 CA X    -0.0083   -0.0066    0.0013    0.0013    0.0076   -0.0059
            Y    -0.0077    0.0020    0.0031   -0.0010   -0.0052   -0.0043
            Z    -0.0072    0.0071    0.0007   -0.0030   -0.0067   -0.0025
 AT.  37 CA X     0.0083    0.0066   -0.0013   -0.0013    0.0076   -0.0059
            Y    -0.0077    0.0020    0.0031   -0.0010    0.0052    0.0043
            Z     0.0072   -0.0071   -0.0007    0.0030   -0.0067   -0.0025
 AT.  38 CA X    -0.0083    0.0066    0.0013   -0.0013   -0.0076   -0.0059
            Y     0.0077    0.0020   -0.0031   -0.0010   -0.0052    0.0043
            Z     0.0072    0.0071   -0.0007   -0.0030   -0.0067    0.0025
 AT.  39 CA X    -0.0083   -0.0066    0.0013   -0.0013   -0.0076   -0.0059
            Y    -0.0077    0.0020    0.0031    0.0010    0.0052   -0.0043
            Z     0.0072   -0.0071   -0.0007   -0.0030   -0.0067    0.0025
 AT.  40 CA X     0.0083   -0.0066   -0.0013   -0.0013    0.0076   -0.0059
            Y     0.0077    0.0020   -0.0031    0.0010   -0.0052   -0.0043
            Z     0.0072    0.0071   -0.0007    0.0030   -0.0067   -0.0025
 AT.  41 CA X    -0.0076   -0.0048   -0.0065    0.0009    0.0057    0.0011
            Y     0.0071    0.0004   -0.0107    0.0048    0.0014    0.0074
            Z    -0.0026   -0.0023   -0.0046   -0.0013    0.0038    0.0047
 AT.  42 CA X     0.0076   -0.0048    0.0065    0.0009   -0.0057    0.0011
            Y    -0.0071    0.0004    0.0107    0.0048   -0.0014    0.0074
            Z    -0.0026    0.0023   -0.0046    0.0013    0.0038   -0.0047
 AT.  43 CA X     0.0076    0.0048    0.0065    0.0009   -0.0057    0.0011
            Y     0.0071    0.0004   -0.0107   -0.0048    0.0014   -0.0074
            Z    -0.0026   -0.0023   -0.0046    0.0013    0.0038   -0.0047
 AT.  44 CA X    -0.0076    0.0048   -0.0065    0.0009    0.0057    0.0011
            Y    -0.0071    0.0004    0.0107   -0.0048   -0.0014   -0.0074
            Z    -0.0026    0.0023   -0.0046   -0.0013    0.0038    0.0047
 AT.  45 CA X     0.0076   -0.0048    0.0065   -0.0009    0.0057    0.0011
            Y    -0.0071    0.0004    0.0107   -0.0048    0.0014    0.0074
            Z     0.0026   -0.0023    0.0046    0.0013    0.0038    0.0047
 AT.  46 CA X    -0.0076   -0.0048   -0.0065   -0.0009   -0.0057    0.0011
            Y     0.0071    0.0004   -0.0107   -0.0048   -0.0014    0.0074
            Z     0.0026    0.0023    0.0046   -0.0013    0.0038   -0.0047
 AT.  47 CA X    -0.0076    0.0048   -0.0065   -0.0009   -0.0057    0.0011
            Y    -0.0071    0.0004    0.0107    0.0048    0.0014   -0.0074
            Z     0.0026   -0.0023    0.0046   -0.0013    0.0038   -0.0047
 AT.  48 CA X     0.0076    0.0048    0.0065   -0.0009    0.0057    0.0011
            Y     0.0071    0.0004   -0.0107    0.0048   -0.0014   -0.0074
            Z     0.0026    0.0023    0.0046    0.0013    0.0038    0.0047
 AT.  49 CA X    -0.0051    0.0000    0.0014   -0.0020    0.0002   -0.0033
            Y     0.0000    0.0050    0.0000    0.0000    0.0000    0.0000
            Z     0.0091    0.0000   -0.0064    0.0011    0.0004    0.0052
 AT.  50 CA X     0.0051    0.0000   -0.0014   -0.0020   -0.0002   -0.0033
            Y     0.0000    0.0050    0.0000    0.0000    0.0000    0.0000
            Z     0.0091    0.0000   -0.0064   -0.0011    0.0004   -0.0052
 AT.  51 CA X     0.0051    0.0000   -0.0014    0.0020    0.0002   -0.0033
            Y     0.0000    0.0050    0.0000    0.0000    0.0000    0.0000
            Z    -0.0091    0.0000    0.0064   -0.0011    0.0004    0.0052
 AT.  52 CA X    -0.0051    0.0000    0.0014    0.0020   -0.0002   -0.0033
            Y     0.0000    0.0050    0.0000    0.0000    0.0000    0.0000
            Z    -0.0091    0.0000    0.0064    0.0011    0.0004   -0.0052
 AT.  53 O  X     0.0045   -0.0112   -0.0124    0.0162   -0.0002    0.0139
            Y     0.0013    0.0037    0.0175   -0.0114    0.0001   -0.0111
            Z    -0.0051    0.0029    0.0006    0.0011   -0.0140   -0.0021
 AT.  54 O  X    -0.0045   -0.0112    0.0124    0.0162    0.0002    0.0139
            Y    -0.0013    0.0037   -0.0175   -0.0114   -0.0001   -0.0111
            Z    -0.0051   -0.0029    0.0006   -0.0011   -0.0140    0.0021
 AT.  55 O  X    -0.0045    0.0112    0.0124    0.0162    0.0002    0.0139
            Y     0.0013    0.0037    0.0175    0.0114    0.0001    0.0111
            Z    -0.0051    0.0029    0.0006   -0.0011   -0.0140    0.0021
 AT.  56 O  X     0.0045    0.0112   -0.0124    0.0162   -0.0002    0.0139
            Y    -0.0013    0.0037   -0.0175    0.0114   -0.0001    0.0111
            Z    -0.0051   -0.0029    0.0006    0.0011   -0.0140   -0.0021
 AT.  57 O  X    -0.0045   -0.0112    0.0124   -0.0162   -0.0002    0.0139
            Y    -0.0013    0.0037   -0.0175    0.0114    0.0001   -0.0111
            Z     0.0051    0.0029   -0.0006   -0.0011   -0.0140   -0.0021
 AT.  58 O  X     0.0045   -0.0112   -0.0124   -0.0162    0.0002    0.0139
            Y     0.0013    0.0037    0.0175    0.0114   -0.0001   -0.0111
            Z     0.0051   -0.0029   -0.0006    0.0011   -0.0140    0.0021
 AT.  59 O  X     0.0045    0.0112   -0.0124   -0.0162    0.0002    0.0139
            Y    -0.0013    0.0037   -0.0175   -0.0114    0.0001    0.0111
            Z     0.0051    0.0029   -0.0006    0.0011   -0.0140    0.0021
 AT.  60 O  X    -0.0045    0.0112    0.0124   -0.0162   -0.0002    0.0139
            Y     0.0013    0.0037    0.0175   -0.0114   -0.0001    0.0111
            Z     0.0051   -0.0029   -0.0006   -0.0011   -0.0140   -0.0021
 AT.  61 O  X    -0.0021   -0.0013    0.0027   -0.0023   -0.0161   -0.0094
            Y    -0.0033    0.0050    0.0193   -0.0232    0.0008   -0.0120
            Z     0.0036    0.0043   -0.0039    0.0112   -0.0032   -0.0004
 AT.  62 O  X     0.0021   -0.0013   -0.0027   -0.0023    0.0161   -0.0094
            Y     0.0033    0.0050   -0.0193   -0.0232   -0.0008   -0.0120
            Z     0.0036   -0.0043   -0.0039   -0.0112   -0.0032    0.0004
 AT.  63 O  X     0.0021    0.0013   -0.0027   -0.0023    0.0161   -0.0094
            Y    -0.0033    0.0050    0.0193    0.0232    0.0008    0.0120
            Z     0.0036    0.0043   -0.0039   -0.0112   -0.0032    0.0004
 AT.  64 O  X    -0.0021    0.0013    0.0027   -0.0023   -0.0161   -0.0094
            Y     0.0033    0.0050   -0.0193    0.0232   -0.0008    0.0120
            Z     0.0036   -0.0043   -0.0039    0.0112   -0.0032   -0.0004
 AT.  65 O  X     0.0021   -0.0013   -0.0027    0.0023   -0.0161   -0.0094
            Y     0.0033    0.0050   -0.0193    0.0232    0.0008   -0.0120
            Z    -0.0036    0.0043    0.0039   -0.0112   -0.0032   -0.0004
 AT.  66 O  X    -0.0021   -0.0013    0.0027    0.0023    0.0161   -0.0094
            Y    -0.0033    0.0050    0.0193    0.0232   -0.0008   -0.0120
            Z    -0.0036   -0.0043    0.0039    0.0112   -0.0032    0.0004
 AT.  67 O  X    -0.0021    0.0013    0.0027    0.0023    0.0161   -0.0094
            Y     0.0033    0.0050   -0.0193   -0.0232    0.0008    0.0120
            Z    -0.0036    0.0043    0.0039    0.0112   -0.0032    0.0004
 AT.  68 O  X     0.0021    0.0013   -0.0027    0.0023   -0.0161   -0.0094
            Y    -0.0033    0.0050    0.0193   -0.0232   -0.0008    0.0120
            Z    -0.0036   -0.0043    0.0039   -0.0112   -0.0032   -0.0004
 AT.  69 O  X     0.0019   -0.0008    0.0078   -0.0096    0.0162    0.0072
            Y    -0.0015    0.0059    0.0178   -0.0162   -0.0025   -0.0211
            Z     0.0056    0.0074    0.0018    0.0046   -0.0069   -0.0064
 AT.  70 O  X    -0.0019   -0.0008   -0.0078   -0.0096   -0.0162    0.0072
            Y     0.0015    0.0059   -0.0178   -0.0162    0.0025   -0.0211
            Z     0.0056   -0.0074    0.0018   -0.0046   -0.0069    0.0064
 AT.  71 O  X    -0.0019    0.0008   -0.0078   -0.0096   -0.0162    0.0072
            Y    -0.0015    0.0059    0.0178    0.0162   -0.0025    0.0211
            Z     0.0056    0.0074    0.0018   -0.0046   -0.0069    0.0064
 AT.  72 O  X     0.0019    0.0008    0.0078   -0.0096    0.0162    0.0072
            Y     0.0015    0.0059   -0.0178    0.0162    0.0025    0.0211
            Z     0.0056   -0.0074    0.0018    0.0046   -0.0069   -0.0064
 AT.  73 O  X    -0.0019   -0.0008   -0.0078    0.0096    0.0162    0.0072
            Y     0.0015    0.0059   -0.0178    0.0162   -0.0025   -0.0211
            Z    -0.0056    0.0074   -0.0018   -0.0046   -0.0069   -0.0064
 AT.  74 O  X     0.0019   -0.0008    0.0078    0.0096   -0.0162    0.0072
            Y    -0.0015    0.0059    0.0178    0.0162    0.0025   -0.0211
            Z    -0.0056   -0.0074   -0.0018    0.0046   -0.0069    0.0064
 AT.  75 O  X     0.0019    0.0008    0.0078    0.0096   -0.0162    0.0072
            Y     0.0015    0.0059   -0.0178   -0.0162   -0.0025    0.0211
            Z    -0.0056    0.0074   -0.0018    0.0046   -0.0069    0.0064
 AT.  76 O  X    -0.0019    0.0008   -0.0078    0.0096    0.0162    0.0072
            Y    -0.0015    0.0059    0.0178   -0.0162    0.0025    0.0211
            Z    -0.0056   -0.0074   -0.0018   -0.0046   -0.0069   -0.0064
 AT.  77 O  X     0.0027   -0.0042   -0.0005    0.0040   -0.0010    0.0029
            Y     0.0042   -0.0079   -0.0193    0.0265    0.0052    0.0230
            Z     0.0082    0.0055    0.0029   -0.0032    0.0303    0.0099
 AT.  78 O  X    -0.0027   -0.0042    0.0005    0.0040    0.0010    0.0029
            Y    -0.0042   -0.0079    0.0193    0.0265   -0.0052    0.0230
            Z     0.0082   -0.0055    0.0029    0.0032    0.0303   -0.0099
 AT.  79 O  X    -0.0027    0.0042    0.0005    0.0040    0.0010    0.0029
            Y     0.0042   -0.0079   -0.0193   -0.0265    0.0052   -0.0230
            Z     0.0082    0.0055    0.0029    0.0032    0.0303   -0.0099
 AT.  80 O  X     0.0027    0.0042   -0.0005    0.0040   -0.0010    0.0029
            Y    -0.0042   -0.0079    0.0193   -0.0265   -0.0052   -0.0230
            Z     0.0082   -0.0055    0.0029   -0.0032    0.0303    0.0099
 AT.  81 O  X    -0.0027   -0.0042    0.0005   -0.0040   -0.0010    0.0029
            Y    -0.0042   -0.0079    0.0193   -0.0265    0.0052    0.0230
            Z    -0.0082    0.0055   -0.0029    0.0032    0.0303    0.0099
 AT.  82 O  X     0.0027   -0.0042   -0.0005   -0.0040    0.0010    0.0029
            Y     0.0042   -0.0079   -0.0193   -0.0265   -0.0052    0.0230
            Z    -0.0082   -0.0055   -0.0029   -0.0032    0.0303   -0.0099
 AT.  83 O  X     0.0027    0.0042   -0.0005   -0.0040    0.0010    0.0029
            Y    -0.0042   -0.0079    0.0193    0.0265    0.0052   -0.0230
            Z    -0.0082    0.0055   -0.0029   -0.0032    0.0303   -0.0099
 AT.  84 O  X    -0.0027    0.0042    0.0005   -0.0040   -0.0010    0.0029
            Y     0.0042   -0.0079   -0.0193    0.0265   -0.0052   -0.0230
            Z    -0.0082   -0.0055   -0.0029    0.0032    0.0303    0.0099
 AT.  85 O  X    -0.0034   -0.0152   -0.0035   -0.0063   -0.0003    0.0017
            Y    -0.0124    0.0036    0.0030   -0.0049    0.0054   -0.0059
            Z    -0.0007   -0.0193   -0.0029   -0.0009   -0.0010    0.0014
 AT.  86 O  X     0.0034   -0.0152    0.0035   -0.0063    0.0003    0.0017
            Y     0.0124    0.0036   -0.0030   -0.0049   -0.0054   -0.0059
            Z    -0.0007    0.0193   -0.0029    0.0009   -0.0010   -0.0014
 AT.  87 O  X     0.0034    0.0152    0.0035   -0.0063    0.0003    0.0017
            Y    -0.0124    0.0036    0.0030    0.0049    0.0054    0.0059
            Z    -0.0007   -0.0193   -0.0029    0.0009   -0.0010   -0.0014
 AT.  88 O  X    -0.0034    0.0152   -0.0035   -0.0063   -0.0003    0.0017
            Y     0.0124    0.0036   -0.0030    0.0049   -0.0054    0.0059
            Z    -0.0007    0.0193   -0.0029   -0.0009   -0.0010    0.0014
 AT.  89 O  X     0.0034   -0.0152    0.0035    0.0063   -0.0003    0.0017
            Y     0.0124    0.0036   -0.0030    0.0049    0.0054   -0.0059
            Z     0.0007   -0.0193    0.0029    0.0009   -0.0010    0.0014
 AT.  90 O  X    -0.0034   -0.0152   -0.0035    0.0063    0.0003    0.0017
            Y    -0.0124    0.0036    0.0030    0.0049   -0.0054   -0.0059
            Z     0.0007    0.0193    0.0029   -0.0009   -0.0010   -0.0014
 AT.  91 O  X    -0.0034    0.0152   -0.0035    0.0063    0.0003    0.0017
            Y     0.0124    0.0036   -0.0030   -0.0049    0.0054    0.0059
            Z     0.0007   -0.0193    0.0029   -0.0009   -0.0010   -0.0014
 AT.  92 O  X     0.0034    0.0152    0.0035    0.0063   -0.0003    0.0017
            Y    -0.0124    0.0036    0.0030   -0.0049   -0.0054    0.0059
            Z     0.0007    0.0193    0.0029    0.0009   -0.0010    0.0014
 AT.  93 O  X     0.0154    0.0117   -0.0021    0.0019   -0.0080    0.0059
            Y    -0.0012   -0.0061   -0.0031   -0.0025    0.0031    0.0019
            Z    -0.0150   -0.0041   -0.0021   -0.0066   -0.0008   -0.0087
 AT.  94 O  X    -0.0154    0.0117    0.0021    0.0019    0.0080    0.0059
            Y     0.0012   -0.0061    0.0031   -0.0025   -0.0031    0.0019
            Z    -0.0150    0.0041   -0.0021    0.0066   -0.0008    0.0087
 AT.  95 O  X    -0.0154   -0.0117    0.0021    0.0019    0.0080    0.0059
            Y    -0.0012   -0.0061   -0.0031    0.0025    0.0031   -0.0019
            Z    -0.0150   -0.0041   -0.0021    0.0066   -0.0008    0.0087
 AT.  96 O  X     0.0154   -0.0117   -0.0021    0.0019   -0.0080    0.0059
            Y     0.0012   -0.0061    0.0031    0.0025   -0.0031   -0.0019
            Z    -0.0150    0.0041   -0.0021   -0.0066   -0.0008   -0.0087
 AT.  97 O  X    -0.0154    0.0117    0.0021   -0.0019   -0.0080    0.0059
            Y     0.0012   -0.0061    0.0031    0.0025    0.0031    0.0019
            Z     0.0150   -0.0041    0.0021    0.0066   -0.0008   -0.0087
 AT.  98 O  X     0.0154    0.0117   -0.0021   -0.0019    0.0080    0.0059
            Y    -0.0012   -0.0061   -0.0031    0.0025   -0.0031    0.0019
            Z     0.0150    0.0041    0.0021   -0.0066   -0.0008    0.0087
 AT.  99 O  X     0.0154   -0.0117   -0.0021   -0.0019    0.0080    0.0059
            Y     0.0012   -0.0061    0.0031   -0.0025    0.0031   -0.0019
            Z     0.0150   -0.0041    0.0021   -0.0066   -0.0008    0.0087
 AT. 100 O  X    -0.0154   -0.0117    0.0021   -0.0019   -0.0080    0.0059
            Y    -0.0012   -0.0061   -0.0031   -0.0025   -0.0031   -0.0019
            Z     0.0150    0.0041    0.0021    0.0066   -0.0008   -0.0087
 AT. 101 O  X     0.0101    0.0008    0.0054    0.0059    0.0029    0.0034
            Y    -0.0070   -0.0166   -0.0008   -0.0034    0.0009   -0.0021
            Z    -0.0030   -0.0156   -0.0002   -0.0024    0.0016   -0.0014
 AT. 102 O  X    -0.0101    0.0008   -0.0054    0.0059   -0.0029    0.0034
            Y     0.0070   -0.0166    0.0008   -0.0034   -0.0009   -0.0021
            Z    -0.0030    0.0156   -0.0002    0.0024    0.0016    0.0014
 AT. 103 O  X    -0.0101   -0.0008   -0.0054    0.0059   -0.0029    0.0034
            Y    -0.0070   -0.0166   -0.0008    0.0034    0.0009    0.0021
            Z    -0.0030   -0.0156   -0.0002    0.0024    0.0016    0.0014
 AT. 104 O  X     0.0101   -0.0008    0.0054    0.0059    0.0029    0.0034
            Y     0.0070   -0.0166    0.0008    0.0034   -0.0009    0.0021
            Z    -0.0030    0.0156   -0.0002   -0.0024    0.0016   -0.0014
 AT. 105 O  X    -0.0101    0.0008   -0.0054   -0.0059    0.0029    0.0034
            Y     0.0070   -0.0166    0.0008    0.0034    0.0009   -0.0021
            Z     0.0030   -0.0156    0.0002    0.0024    0.0016   -0.0014
 AT. 106 O  X     0.0101    0.0008    0.0054   -0.0059   -0.0029    0.0034
            Y    -0.0070   -0.0166   -0.0008    0.0034   -0.0009   -0.0021
            Z     0.0030    0.0156    0.0002   -0.0024    0.0016    0.0014
 AT. 107 O  X     0.0101   -0.0008    0.0054   -0.0059   -0.0029    0.0034
            Y     0.0070   -0.0166    0.0008   -0.0034    0.0009    0.0021
            Z     0.0030   -0.0156    0.0002   -0.0024    0.0016    0.0014
 AT. 108 O  X    -0.0101   -0.0008   -0.0054   -0.0059    0.0029    0.0034
            Y    -0.0070   -0.0166   -0.0008   -0.0034   -0.0009    0.0021
            Z     0.0030    0.0156    0.0002    0.0024    0.0016   -0.0014
 AT. 109 O  X     0.0073    0.0006   -0.0016   -0.0008   -0.0013    0.0042
            Y     0.0193    0.0164    0.0011   -0.0003   -0.0106    0.0089
            Z     0.0074    0.0120   -0.0022    0.0070    0.0037    0.0049
 AT. 110 O  X    -0.0073    0.0006    0.0016   -0.0008    0.0013    0.0042
            Y    -0.0193    0.0164   -0.0011   -0.0003    0.0106    0.0089
            Z     0.0074   -0.0120   -0.0022   -0.0070    0.0037   -0.0049
 AT. 111 O  X    -0.0073   -0.0006    0.0016   -0.0008    0.0013    0.0042
            Y     0.0193    0.0164    0.0011    0.0003   -0.0106   -0.0089
            Z     0.0074    0.0120   -0.0022   -0.0070    0.0037   -0.0049
 AT. 112 O  X     0.0073   -0.0006   -0.0016   -0.0008   -0.0013    0.0042
            Y    -0.0193    0.0164   -0.0011    0.0003    0.0106   -0.0089
            Z     0.0074   -0.0120   -0.0022    0.0070    0.0037    0.0049
 AT. 113 O  X    -0.0073    0.0006    0.0016    0.0008   -0.0013    0.0042
            Y    -0.0193    0.0164   -0.0011    0.0003   -0.0106    0.0089
            Z    -0.0074    0.0120    0.0022   -0.0070    0.0037    0.0049
 AT. 114 O  X     0.0073    0.0006   -0.0016    0.0008    0.0013    0.0042
            Y     0.0193    0.0164    0.0011    0.0003    0.0106    0.0089
            Z    -0.0074   -0.0120    0.0022    0.0070    0.0037   -0.0049
 AT. 115 O  X     0.0073   -0.0006   -0.0016    0.0008    0.0013    0.0042
            Y    -0.0193    0.0164   -0.0011   -0.0003   -0.0106   -0.0089
            Z    -0.0074    0.0120    0.0022    0.0070    0.0037   -0.0049
 AT. 116 O  X    -0.0073   -0.0006    0.0016    0.0008   -0.0013    0.0042
            Y     0.0193    0.0164    0.0011   -0.0003    0.0106   -0.0089
            Z    -0.0074   -0.0120    0.0022   -0.0070    0.0037    0.0049
 AT. 117 O  X    -0.0053    0.0107    0.0022   -0.0013    0.0029   -0.0043
            Y     0.0016   -0.0004    0.0097    0.0025   -0.0026   -0.0024
            Z     0.0115   -0.0137   -0.0008    0.0007    0.0059    0.0065
 AT. 118 O  X     0.0053    0.0107   -0.0022   -0.0013   -0.0029   -0.0043
            Y    -0.0016   -0.0004   -0.0097    0.0025    0.0026   -0.0024
            Z     0.0115    0.0137   -0.0008   -0.0007    0.0059   -0.0065
 AT. 119 O  X     0.0053   -0.0107   -0.0022   -0.0013   -0.0029   -0.0043
            Y     0.0016   -0.0004    0.0097   -0.0025   -0.0026    0.0024
            Z     0.0115   -0.0137   -0.0008   -0.0007    0.0059   -0.0065
 AT. 120 O  X    -0.0053   -0.0107    0.0022   -0.0013    0.0029   -0.0043
            Y    -0.0016   -0.0004   -0.0097   -0.0025    0.0026    0.0024
            Z     0.0115    0.0137   -0.0008    0.0007    0.0059    0.0065
 AT. 121 O  X     0.0053    0.0107   -0.0022    0.0013    0.0029   -0.0043
            Y    -0.0016   -0.0004   -0.0097   -0.0025   -0.0026   -0.0024
            Z    -0.0115   -0.0137    0.0008   -0.0007    0.0059    0.0065
 AT. 122 O  X    -0.0053    0.0107    0.0022    0.0013   -0.0029   -0.0043
            Y     0.0016   -0.0004    0.0097   -0.0025    0.0026   -0.0024
            Z    -0.0115    0.0137    0.0008    0.0007    0.0059   -0.0065
 AT. 123 O  X    -0.0053   -0.0107    0.0022    0.0013   -0.0029   -0.0043
            Y    -0.0016   -0.0004   -0.0097    0.0025   -0.0026    0.0024
            Z    -0.0115   -0.0137    0.0008    0.0007    0.0059   -0.0065
 AT. 124 O  X     0.0053   -0.0107   -0.0022    0.0013    0.0029   -0.0043
            Y     0.0016   -0.0004    0.0097    0.0025    0.0026    0.0024
            Z    -0.0115    0.0137    0.0008   -0.0007    0.0059    0.0065

 FREQ(CM**-1)    307.94    309.12    310.09    310.21    314.47    316.99

 AT.   1 SI X     0.0022    0.0011   -0.0002    0.0015    0.0023    0.0035
            Y    -0.0089   -0.0017   -0.0044    0.0113   -0.0043   -0.0032
            Z     0.0022   -0.0018    0.0055   -0.0012    0.0015   -0.0003
 AT.   2 SI X    -0.0022    0.0011    0.0002    0.0015    0.0023   -0.0035
            Y     0.0089   -0.0017    0.0044    0.0113   -0.0043    0.0032
            Z     0.0022    0.0018    0.0055    0.0012   -0.0015   -0.0003
 AT.   3 SI X     0.0022   -0.0011   -0.0002   -0.0015    0.0023    0.0035
            Y     0.0089   -0.0017    0.0044    0.0113    0.0043    0.0032
            Z    -0.0022   -0.0018   -0.0055   -0.0012   -0.0015    0.0003
 AT.   4 SI X    -0.0022   -0.0011    0.0002   -0.0015    0.0023   -0.0035
            Y    -0.0089   -0.0017   -0.0044    0.0113    0.0043   -0.0032
            Z    -0.0022    0.0018   -0.0055    0.0012    0.0015    0.0003
 AT.   5 SI X     0.0022    0.0011    0.0002   -0.0015    0.0023    0.0035
            Y    -0.0089   -0.0017    0.0044   -0.0113   -0.0043   -0.0032
            Z     0.0022   -0.0018   -0.0055    0.0012    0.0015   -0.0003
 AT.   6 SI X    -0.0022    0.0011   -0.0002   -0.0015    0.0023   -0.0035
            Y     0.0089   -0.0017   -0.0044   -0.0113   -0.0043    0.0032
            Z     0.0022    0.0018   -0.0055   -0.0012   -0.0015   -0.0003
 AT.   7 SI X     0.0022   -0.0011    0.0002    0.0015    0.0023    0.0035
            Y     0.0089   -0.0017   -0.0044   -0.0113    0.0043    0.0032
            Z    -0.0022   -0.0018    0.0055    0.0012   -0.0015    0.0003
 AT.   8 SI X    -0.0022   -0.0011   -0.0002    0.0015    0.0023   -0.0035
            Y    -0.0089   -0.0017    0.0044   -0.0113    0.0043   -0.0032
            Z    -0.0022    0.0018    0.0055   -0.0012    0.0015    0.0003
 AT.   9 SI X     0.0028   -0.0002   -0.0008    0.0035    0.0038    0.0032
            Y    -0.0001    0.0005   -0.0010   -0.0050    0.0015   -0.0038
            Z    -0.0004   -0.0010   -0.0038    0.0008   -0.0036   -0.0049
 AT.  10 SI X    -0.0028   -0.0002    0.0008    0.0035    0.0038   -0.0032
            Y     0.0001    0.0005    0.0010   -0.0050    0.0015    0.0038
            Z    -0.0004    0.0010   -0.0038   -0.0008    0.0036   -0.0049
 AT.  11 SI X     0.0028    0.0002   -0.0008   -0.0035    0.0038    0.0032
            Y     0.0001    0.0005    0.0010   -0.0050   -0.0015    0.0038
            Z     0.0004   -0.0010    0.0038    0.0008    0.0036    0.0049
 AT.  12 SI X    -0.0028    0.0002    0.0008   -0.0035    0.0038   -0.0032
            Y    -0.0001    0.0005   -0.0010   -0.0050   -0.0015   -0.0038
            Z     0.0004    0.0010    0.0038   -0.0008   -0.0036    0.0049
 AT.  13 SI X     0.0028   -0.0002    0.0008   -0.0035    0.0038    0.0032
            Y    -0.0001    0.0005    0.0010    0.0050    0.0015   -0.0038
            Z    -0.0004   -0.0010    0.0038   -0.0008   -0.0036   -0.0049
 AT.  14 SI X    -0.0028   -0.0002   -0.0008   -0.0035    0.0038   -0.0032
            Y     0.0001    0.0005   -0.0010    0.0050    0.0015    0.0038
            Z    -0.0004    0.0010    0.0038    0.0008    0.0036   -0.0049
 AT.  15 SI X     0.0028    0.0002    0.0008    0.0035    0.0038    0.0032
            Y     0.0001    0.0005   -0.0010    0.0050   -0.0015    0.0038
            Z     0.0004   -0.0010   -0.0038   -0.0008    0.0036    0.0049
 AT.  16 SI X    -0.0028    0.0002   -0.0008    0.0035    0.0038   -0.0032
            Y    -0.0001    0.0005    0.0010    0.0050   -0.0015   -0.0038
            Z     0.0004    0.0010   -0.0038    0.0008   -0.0036    0.0049
 AT.  17 SI X     0.0000    0.0000    0.0000    0.0000    0.0061    0.0000
            Y    -0.0021   -0.0005   -0.0045   -0.0021    0.0000   -0.0012
            Z     0.0000    0.0000    0.0000    0.0000    0.0035    0.0000
 AT.  18 SI X     0.0000    0.0000    0.0000    0.0000    0.0061    0.0000
            Y     0.0021   -0.0005    0.0045   -0.0021    0.0000    0.0012
            Z     0.0000    0.0000    0.0000    0.0000   -0.0035    0.0000
 AT.  19 SI X     0.0000    0.0000    0.0000    0.0000    0.0061    0.0000
            Y    -0.0021   -0.0005    0.0045    0.0021    0.0000   -0.0012
            Z     0.0000    0.0000    0.0000    0.0000    0.0035    0.0000
 AT.  20 SI X     0.0000    0.0000    0.0000    0.0000    0.0061    0.0000
            Y     0.0021   -0.0005   -0.0045    0.0021    0.0000    0.0012
            Z     0.0000    0.0000    0.0000    0.0000   -0.0035    0.0000
 AT.  21 CA X    -0.0027    0.0032   -0.0021    0.0079   -0.0011   -0.0010
            Y     0.0093    0.0021    0.0074    0.0157    0.0060    0.0066
            Z    -0.0001   -0.0018    0.0072   -0.0058   -0.0039   -0.0010
 AT.  22 CA X     0.0027    0.0032    0.0021    0.0079   -0.0011    0.0010
            Y    -0.0093    0.0021   -0.0074    0.0157    0.0060   -0.0066
            Z    -0.0001    0.0018    0.0072    0.0058    0.0039   -0.0010
 AT.  23 CA X    -0.0027   -0.0032   -0.0021   -0.0079   -0.0011   -0.0010
            Y    -0.0093    0.0021   -0.0074    0.0157   -0.0060   -0.0066
            Z     0.0001   -0.0018   -0.0072   -0.0058    0.0039    0.0010
 AT.  24 CA X     0.0027   -0.0032    0.0021   -0.0079   -0.0011    0.0010
            Y     0.0093    0.0021    0.0074    0.0157   -0.0060    0.0066
            Z     0.0001    0.0018   -0.0072    0.0058   -0.0039    0.0010
 AT.  25 CA X    -0.0027    0.0032    0.0021   -0.0079   -0.0011   -0.0010
            Y     0.0093    0.0021   -0.0074   -0.0157    0.0060    0.0066
            Z    -0.0001   -0.0018   -0.0072    0.0058   -0.0039   -0.0010
 AT.  26 CA X     0.0027    0.0032   -0.0021   -0.0079   -0.0011    0.0010
            Y    -0.0093    0.0021    0.0074   -0.0157    0.0060   -0.0066
            Z    -0.0001    0.0018   -0.0072   -0.0058    0.0039   -0.0010
 AT.  27 CA X    -0.0027   -0.0032    0.0021    0.0079   -0.0011   -0.0010
            Y    -0.0093    0.0021    0.0074   -0.0157   -0.0060   -0.0066
            Z     0.0001   -0.0018    0.0072    0.0058    0.0039    0.0010
 AT.  28 CA X     0.0027   -0.0032   -0.0021    0.0079   -0.0011    0.0010
            Y     0.0093    0.0021   -0.0074   -0.0157   -0.0060    0.0066
            Z     0.0001    0.0018    0.0072   -0.0058   -0.0039    0.0010
 AT.  29 CA X    -0.0101    0.0064    0.0000    0.0000    0.0032    0.0012
            Y     0.0051    0.0101    0.0000    0.0000    0.0084    0.0092
            Z    -0.0055    0.0155    0.0000    0.0000    0.0140    0.0134
 AT.  30 CA X     0.0101    0.0064    0.0000    0.0000    0.0032   -0.0012
            Y    -0.0051    0.0101    0.0000    0.0000    0.0084   -0.0092
            Z    -0.0055   -0.0155    0.0000    0.0000   -0.0140    0.0134
 AT.  31 CA X    -0.0101   -0.0064    0.0000    0.0000    0.0032    0.0012
            Y    -0.0051    0.0101    0.0000    0.0000   -0.0084   -0.0092
            Z     0.0055    0.0155    0.0000    0.0000   -0.0140   -0.0134
 AT.  32 CA X     0.0101   -0.0064    0.0000    0.0000    0.0032   -0.0012
            Y     0.0051    0.0101    0.0000    0.0000   -0.0084    0.0092
            Z     0.0055   -0.0155    0.0000    0.0000    0.0140   -0.0134
 AT.  33 CA X    -0.0061   -0.0047    0.0071   -0.0070   -0.0082   -0.0095
            Y     0.0037   -0.0037    0.0025    0.0006    0.0014    0.0003
            Z     0.0003    0.0039   -0.0083    0.0003   -0.0003    0.0016
 AT.  34 CA X     0.0061   -0.0047   -0.0071   -0.0070   -0.0082    0.0095
            Y    -0.0037   -0.0037   -0.0025    0.0006    0.0014   -0.0003
            Z     0.0003   -0.0039   -0.0083   -0.0003    0.0003    0.0016
 AT.  35 CA X    -0.0061    0.0047    0.0071    0.0070   -0.0082   -0.0095
            Y    -0.0037   -0.0037   -0.0025    0.0006   -0.0014   -0.0003
            Z    -0.0003    0.0039    0.0083    0.0003    0.0003   -0.0016
 AT.  36 CA X     0.0061    0.0047   -0.0071    0.0070   -0.0082    0.0095
            Y     0.0037   -0.0037    0.0025    0.0006   -0.0014    0.0003
            Z    -0.0003   -0.0039    0.0083   -0.0003   -0.0003   -0.0016
 AT.  37 CA X    -0.0061   -0.0047   -0.0071    0.0070   -0.0082   -0.0095
            Y     0.0037   -0.0037   -0.0025   -0.0006    0.0014    0.0003
            Z     0.0003    0.0039    0.0083   -0.0003   -0.0003    0.0016
 AT.  38 CA X     0.0061   -0.0047    0.0071    0.0070   -0.0082    0.0095
            Y    -0.0037   -0.0037    0.0025   -0.0006    0.0014   -0.0003
            Z     0.0003   -0.0039    0.0083    0.0003    0.0003    0.0016
 AT.  39 CA X    -0.0061    0.0047   -0.0071   -0.0070   -0.0082   -0.0095
            Y    -0.0037   -0.0037    0.0025   -0.0006   -0.0014   -0.0003
            Z    -0.0003    0.0039   -0.0083   -0.0003    0.0003   -0.0016
 AT.  40 CA X     0.0061    0.0047    0.0071   -0.0070   -0.0082    0.0095
            Y     0.0037   -0.0037   -0.0025   -0.0006   -0.0014    0.0003
            Z    -0.0003   -0.0039   -0.0083    0.0003   -0.0003   -0.0016
 AT.  41 CA X     0.0010   -0.0029   -0.0024   -0.0040   -0.0064   -0.0048
            Y     0.0060   -0.0025    0.0039   -0.0048   -0.0019   -0.0032
            Z     0.0051   -0.0071   -0.0003   -0.0066   -0.0052   -0.0090
 AT.  42 CA X    -0.0010   -0.0029    0.0024   -0.0040   -0.0064    0.0048
            Y    -0.0060   -0.0025   -0.0039   -0.0048   -0.0019    0.0032
            Z     0.0051    0.0071   -0.0003    0.0066    0.0052   -0.0090
 AT.  43 CA X     0.0010    0.0029   -0.0024    0.0040   -0.0064   -0.0048
            Y    -0.0060   -0.0025   -0.0039   -0.0048    0.0019    0.0032
            Z    -0.0051   -0.0071    0.0003   -0.0066    0.0052    0.0090
 AT.  44 CA X    -0.0010    0.0029    0.0024    0.0040   -0.0064    0.0048
            Y     0.0060   -0.0025    0.0039   -0.0048    0.0019   -0.0032
            Z    -0.0051    0.0071    0.0003    0.0066   -0.0052    0.0090
 AT.  45 CA X     0.0010   -0.0029    0.0024    0.0040   -0.0064   -0.0048
            Y     0.0060   -0.0025   -0.0039    0.0048   -0.0019   -0.0032
            Z     0.0051   -0.0071    0.0003    0.0066   -0.0052   -0.0090
 AT.  46 CA X    -0.0010   -0.0029   -0.0024    0.0040   -0.0064    0.0048
            Y    -0.0060   -0.0025    0.0039    0.0048   -0.0019    0.0032
            Z     0.0051    0.0071    0.0003   -0.0066    0.0052   -0.0090
 AT.  47 CA X     0.0010    0.0029    0.0024   -0.0040   -0.0064   -0.0048
            Y    -0.0060   -0.0025    0.0039    0.0048    0.0019    0.0032
            Z    -0.0051   -0.0071   -0.0003    0.0066    0.0052    0.0090
 AT.  48 CA X    -0.0010    0.0029   -0.0024   -0.0040   -0.0064    0.0048
            Y     0.0060   -0.0025   -0.0039    0.0048    0.0019   -0.0032
            Z    -0.0051    0.0071   -0.0003   -0.0066   -0.0052    0.0090
 AT.  49 CA X     0.0000    0.0000    0.0000    0.0000   -0.0035    0.0000
            Y     0.0003   -0.0003    0.0054   -0.0084    0.0000   -0.0050
            Z     0.0000    0.0000    0.0000    0.0000    0.0010    0.0000
 AT.  50 CA X     0.0000    0.0000    0.0000    0.0000   -0.0035    0.0000
            Y    -0.0003   -0.0003   -0.0054   -0.0084    0.0000    0.0050
            Z     0.0000    0.0000    0.0000    0.0000   -0.0010    0.0000
 AT.  51 CA X     0.0000    0.0000    0.0000    0.0000   -0.0035    0.0000
            Y     0.0003   -0.0003   -0.0054    0.0084    0.0000   -0.0050
            Z     0.0000    0.0000    0.0000    0.0000    0.0010    0.0000
 AT.  52 CA X     0.0000    0.0000    0.0000    0.0000   -0.0035    0.0000
            Y    -0.0003   -0.0003    0.0054    0.0084    0.0000    0.0050
            Z     0.0000    0.0000    0.0000    0.0000   -0.0010    0.0000
 AT.  53 O  X     0.0148    0.0001    0.0075   -0.0066   -0.0001   -0.0006
            Y    -0.0114   -0.0005   -0.0087    0.0155   -0.0015    0.0008
            Z     0.0003    0.0173    0.0013   -0.0088    0.0118    0.0140
 AT.  54 O  X    -0.0148    0.0001   -0.0075   -0.0066   -0.0001    0.0006
            Y     0.0114   -0.0005    0.0087    0.0155   -0.0015   -0.0008
            Z     0.0003   -0.0173    0.0013    0.0088   -0.0118    0.0140
 AT.  55 O  X     0.0148   -0.0001    0.0075    0.0066   -0.0001   -0.0006
            Y     0.0114   -0.0005    0.0087    0.0155    0.0015   -0.0008
            Z    -0.0003    0.0173   -0.0013   -0.0088   -0.0118   -0.0140
 AT.  56 O  X    -0.0148   -0.0001   -0.0075    0.0066   -0.0001    0.0006
            Y    -0.0114   -0.0005   -0.0087    0.0155    0.0015    0.0008
            Z    -0.0003   -0.0173   -0.0013    0.0088    0.0118   -0.0140
 AT.  57 O  X     0.0148    0.0001   -0.0075    0.0066   -0.0001   -0.0006
            Y    -0.0114   -0.0005    0.0087   -0.0155   -0.0015    0.0008
            Z     0.0003    0.0173   -0.0013    0.0088    0.0118    0.0140
 AT.  58 O  X    -0.0148    0.0001    0.0075    0.0066   -0.0001    0.0006
            Y     0.0114   -0.0005   -0.0087   -0.0155   -0.0015   -0.0008
            Z     0.0003   -0.0173   -0.0013   -0.0088   -0.0118    0.0140
 AT.  59 O  X     0.0148   -0.0001   -0.0075   -0.0066   -0.0001   -0.0006
            Y     0.0114   -0.0005   -0.0087   -0.0155    0.0015   -0.0008
            Z    -0.0003    0.0173    0.0013    0.0088   -0.0118   -0.0140
 AT.  60 O  X    -0.0148   -0.0001    0.0075   -0.0066   -0.0001    0.0006
            Y    -0.0114   -0.0005    0.0087   -0.0155    0.0015    0.0008
            Z    -0.0003   -0.0173    0.0013   -0.0088    0.0118   -0.0140
 AT.  61 O  X    -0.0055    0.0188   -0.0061   -0.0014    0.0140    0.0169
            Y    -0.0131   -0.0013   -0.0168    0.0132   -0.0064   -0.0037
            Z     0.0012    0.0050    0.0101   -0.0060    0.0064    0.0043
 AT.  62 O  X     0.0055    0.0188    0.0061   -0.0014    0.0140   -0.0169
            Y     0.0131   -0.0013    0.0168    0.0132   -0.0064    0.0037
            Z     0.0012   -0.0050    0.0101    0.0060   -0.0064    0.0043
 AT.  63 O  X    -0.0055   -0.0188   -0.0061    0.0014    0.0140    0.0169
            Y     0.0131   -0.0013    0.0168    0.0132    0.0064    0.0037
            Z    -0.0012    0.0050   -0.0101   -0.0060   -0.0064   -0.0043
 AT.  64 O  X     0.0055   -0.0188    0.0061    0.0014    0.0140   -0.0169
            Y    -0.0131   -0.0013   -0.0168    0.0132    0.0064   -0.0037
            Z    -0.0012   -0.0050   -0.0101    0.0060    0.0064   -0.0043
 AT.  65 O  X    -0.0055    0.0188    0.0061    0.0014    0.0140    0.0169
            Y    -0.0131   -0.0013    0.0168   -0.0132   -0.0064   -0.0037
            Z     0.0012    0.0050   -0.0101    0.0060    0.0064    0.0043
 AT.  66 O  X     0.0055    0.0188   -0.0061    0.0014    0.0140   -0.0169
            Y     0.0131   -0.0013   -0.0168   -0.0132   -0.0064    0.0037
            Z     0.0012   -0.0050   -0.0101   -0.0060   -0.0064    0.0043
 AT.  67 O  X    -0.0055   -0.0188    0.0061   -0.0014    0.0140    0.0169
            Y     0.0131   -0.0013   -0.0168   -0.0132    0.0064    0.0037
            Z    -0.0012    0.0050    0.0101    0.0060   -0.0064   -0.0043
 AT.  68 O  X     0.0055   -0.0188   -0.0061   -0.0014    0.0140   -0.0169
            Y    -0.0131   -0.0013    0.0168   -0.0132    0.0064   -0.0037
            Z    -0.0012   -0.0050    0.0101   -0.0060    0.0064   -0.0043
 AT.  69 O  X     0.0031   -0.0189   -0.0086    0.0098   -0.0117   -0.0100
            Y    -0.0217    0.0017   -0.0130    0.0127    0.0040    0.0049
            Z    -0.0051    0.0094    0.0055   -0.0022    0.0122    0.0105
 AT.  70 O  X    -0.0031   -0.0189    0.0086    0.0098   -0.0117    0.0100
            Y     0.0217    0.0017    0.0130    0.0127    0.0040   -0.0049
            Z    -0.0051   -0.0094    0.0055    0.0022   -0.0122    0.0105
 AT.  71 O  X     0.0031    0.0189   -0.0086   -0.0098   -0.0117   -0.0100
            Y     0.0217    0.0017    0.0130    0.0127   -0.0040   -0.0049
            Z     0.0051    0.0094   -0.0055   -0.0022   -0.0122   -0.0105
 AT.  72 O  X    -0.0031    0.0189    0.0086   -0.0098   -0.0117    0.0100
            Y    -0.0217    0.0017   -0.0130    0.0127   -0.0040    0.0049
            Z     0.0051   -0.0094   -0.0055    0.0022    0.0122   -0.0105
 AT.  73 O  X     0.0031   -0.0189    0.0086   -0.0098   -0.0117   -0.0100
            Y    -0.0217    0.0017    0.0130   -0.0127    0.0040    0.0049
            Z    -0.0051    0.0094   -0.0055    0.0022    0.0122    0.0105
 AT.  74 O  X    -0.0031   -0.0189   -0.0086   -0.0098   -0.0117    0.0100
            Y     0.0217    0.0017   -0.0130   -0.0127    0.0040   -0.0049
            Z    -0.0051   -0.0094   -0.0055   -0.0022   -0.0122    0.0105
 AT.  75 O  X     0.0031    0.0189    0.0086    0.0098   -0.0117   -0.0100
            Y     0.0217    0.0017   -0.0130   -0.0127   -0.0040   -0.0049
            Z     0.0051    0.0094    0.0055    0.0022   -0.0122   -0.0105
 AT.  76 O  X    -0.0031    0.0189   -0.0086    0.0098   -0.0117    0.0100
            Y    -0.0217    0.0017    0.0130   -0.0127   -0.0040    0.0049
            Z     0.0051   -0.0094    0.0055   -0.0022    0.0122   -0.0105
 AT.  77 O  X     0.0033    0.0014   -0.0006    0.0010    0.0025    0.0039
            Y     0.0236   -0.0046    0.0196   -0.0107   -0.0055   -0.0059
            Z     0.0049   -0.0311    0.0041    0.0109   -0.0208   -0.0220
 AT.  78 O  X    -0.0033    0.0014    0.0006    0.0010    0.0025   -0.0039
            Y    -0.0236   -0.0046   -0.0196   -0.0107   -0.0055    0.0059
            Z     0.0049    0.0311    0.0041   -0.0109    0.0208   -0.0220
 AT.  79 O  X     0.0033   -0.0014   -0.0006   -0.0010    0.0025    0.0039
            Y    -0.0236   -0.0046   -0.0196   -0.0107    0.0055    0.0059
            Z    -0.0049   -0.0311   -0.0041    0.0109    0.0208    0.0220
 AT.  80 O  X    -0.0033   -0.0014    0.0006   -0.0010    0.0025   -0.0039
            Y     0.0236   -0.0046    0.0196   -0.0107    0.0055   -0.0059
            Z    -0.0049    0.0311   -0.0041   -0.0109   -0.0208    0.0220
 AT.  81 O  X     0.0033    0.0014    0.0006   -0.0010    0.0025    0.0039
            Y     0.0236   -0.0046   -0.0196    0.0107   -0.0055   -0.0059
            Z     0.0049   -0.0311   -0.0041   -0.0109   -0.0208   -0.0220
 AT.  82 O  X    -0.0033    0.0014   -0.0006   -0.0010    0.0025   -0.0039
            Y    -0.0236   -0.0046    0.0196    0.0107   -0.0055    0.0059
            Z     0.0049    0.0311   -0.0041    0.0109    0.0208   -0.0220
 AT.  83 O  X     0.0033   -0.0014    0.0006    0.0010    0.0025    0.0039
            Y    -0.0236   -0.0046    0.0196    0.0107    0.0055    0.0059
            Z    -0.0049   -0.0311    0.0041   -0.0109    0.0208    0.0220
 AT.  84 O  X    -0.0033   -0.0014   -0.0006    0.0010    0.0025   -0.0039
            Y     0.0236   -0.0046   -0.0196    0.0107    0.0055   -0.0059
            Z    -0.0049    0.0311    0.0041    0.0109   -0.0208    0.0220
 AT.  85 O  X     0.0029    0.0005   -0.0128   -0.0011    0.0054    0.0037
            Y    -0.0116   -0.0007   -0.0010   -0.0086   -0.0030   -0.0056
            Z     0.0054   -0.0005   -0.0107    0.0008   -0.0002   -0.0030
 AT.  86 O  X    -0.0029    0.0005    0.0128   -0.0011    0.0054   -0.0037
            Y     0.0116   -0.0007    0.0010   -0.0086   -0.0030    0.0056
            Z     0.0054    0.0005   -0.0107   -0.0008    0.0002   -0.0030
 AT.  87 O  X     0.0029   -0.0005   -0.0128    0.0011    0.0054    0.0037
            Y     0.0116   -0.0007    0.0010   -0.0086    0.0030    0.0056
            Z    -0.0054   -0.0005    0.0107    0.0008    0.0002    0.0030
 AT.  88 O  X    -0.0029   -0.0005    0.0128    0.0011    0.0054   -0.0037
            Y    -0.0116   -0.0007   -0.0010   -0.0086    0.0030   -0.0056
            Z    -0.0054    0.0005    0.0107   -0.0008   -0.0002    0.0030
 AT.  89 O  X     0.0029    0.0005    0.0128    0.0011    0.0054    0.0037
            Y    -0.0116   -0.0007    0.0010    0.0086   -0.0030   -0.0056
            Z     0.0054   -0.0005    0.0107   -0.0008   -0.0002   -0.0030
 AT.  90 O  X    -0.0029    0.0005   -0.0128    0.0011    0.0054   -0.0037
            Y     0.0116   -0.0007   -0.0010    0.0086   -0.0030    0.0056
            Z     0.0054    0.0005    0.0107    0.0008    0.0002   -0.0030
 AT.  91 O  X     0.0029   -0.0005    0.0128   -0.0011    0.0054    0.0037
            Y     0.0116   -0.0007   -0.0010    0.0086    0.0030    0.0056
            Z    -0.0054   -0.0005   -0.0107   -0.0008    0.0002    0.0030
 AT.  92 O  X    -0.0029   -0.0005   -0.0128   -0.0011    0.0054   -0.0037
            Y    -0.0116   -0.0007    0.0010    0.0086    0.0030   -0.0056
            Z    -0.0054    0.0005   -0.0107    0.0008   -0.0002    0.0030
 AT.  93 O  X     0.0066    0.0042    0.0077    0.0111    0.0051    0.0110
            Y     0.0000   -0.0013   -0.0048   -0.0083    0.0022   -0.0066
            Z    -0.0072    0.0009   -0.0070   -0.0025   -0.0175   -0.0096
 AT.  94 O  X    -0.0066    0.0042   -0.0077    0.0111    0.0051   -0.0110
            Y     0.0000   -0.0013    0.0048   -0.0083    0.0022    0.0066
            Z    -0.0072   -0.0009   -0.0070    0.0025    0.0175   -0.0096
 AT.  95 O  X     0.0066   -0.0042    0.0077   -0.0111    0.0051    0.0110
            Y     0.0000   -0.0013    0.0048   -0.0083   -0.0022    0.0066
            Z     0.0072    0.0009    0.0070   -0.0025    0.0175    0.0096
 AT.  96 O  X    -0.0066   -0.0042   -0.0077   -0.0111    0.0051   -0.0110
            Y     0.0000   -0.0013   -0.0048   -0.0083   -0.0022   -0.0066
            Z     0.0072   -0.0009    0.0070    0.0025   -0.0175    0.0096
 AT.  97 O  X     0.0066    0.0042   -0.0077   -0.0111    0.0051    0.0110
            Y     0.0000   -0.0013    0.0048    0.0083    0.0022   -0.0066
            Z    -0.0072    0.0009    0.0070    0.0025   -0.0175   -0.0096
 AT.  98 O  X    -0.0066    0.0042    0.0077   -0.0111    0.0051   -0.0110
            Y     0.0000   -0.0013   -0.0048    0.0083    0.0022    0.0066
            Z    -0.0072   -0.0009    0.0070   -0.0025    0.0175   -0.0096
 AT.  99 O  X     0.0066   -0.0042   -0.0077    0.0111    0.0051    0.0110
            Y     0.0000   -0.0013   -0.0048    0.0083   -0.0022    0.0066
            Z     0.0072    0.0009   -0.0070    0.0025    0.0175    0.0096
 AT. 100 O  X    -0.0066   -0.0042    0.0077    0.0111    0.0051   -0.0110
            Y     0.0000   -0.0013    0.0048    0.0083   -0.0022   -0.0066
            Z     0.0072   -0.0009   -0.0070   -0.0025   -0.0175    0.0096
 AT. 101 O  X    -0.0018   -0.0023    0.0003    0.0018    0.0081    0.0014
            Y     0.0012   -0.0004   -0.0116   -0.0033   -0.0020   -0.0062
            Z     0.0019   -0.0019   -0.0089    0.0017   -0.0022   -0.0041
 AT. 102 O  X     0.0018   -0.0023   -0.0003    0.0018    0.0081   -0.0014
            Y    -0.0012   -0.0004    0.0116   -0.0033   -0.0020    0.0062
            Z     0.0019    0.0019   -0.0089   -0.0017    0.0022   -0.0041
 AT. 103 O  X    -0.0018    0.0023    0.0003   -0.0018    0.0081    0.0014
            Y    -0.0012   -0.0004    0.0116   -0.0033    0.0020    0.0062
            Z    -0.0019   -0.0019    0.0089    0.0017    0.0022    0.0041
 AT. 104 O  X     0.0018    0.0023   -0.0003   -0.0018    0.0081   -0.0014
            Y     0.0012   -0.0004   -0.0116   -0.0033    0.0020   -0.0062
            Z    -0.0019    0.0019    0.0089   -0.0017   -0.0022    0.0041
 AT. 105 O  X    -0.0018   -0.0023   -0.0003   -0.0018    0.0081    0.0014
            Y     0.0012   -0.0004    0.0116    0.0033   -0.0020   -0.0062
            Z     0.0019   -0.0019    0.0089   -0.0017   -0.0022   -0.0041
 AT. 106 O  X     0.0018   -0.0023    0.0003   -0.0018    0.0081   -0.0014
            Y    -0.0012   -0.0004   -0.0116    0.0033   -0.0020    0.0062
            Z     0.0019    0.0019    0.0089    0.0017    0.0022   -0.0041
 AT. 107 O  X    -0.0018    0.0023   -0.0003    0.0018    0.0081    0.0014
            Y    -0.0012   -0.0004   -0.0116    0.0033    0.0020    0.0062
            Z    -0.0019   -0.0019   -0.0089   -0.0017    0.0022    0.0041
 AT. 108 O  X     0.0018    0.0023    0.0003    0.0018    0.0081   -0.0014
            Y     0.0012   -0.0004    0.0116    0.0033    0.0020   -0.0062
            Z    -0.0019    0.0019   -0.0089    0.0017   -0.0022    0.0041
 AT. 109 O  X     0.0028   -0.0003   -0.0011    0.0038    0.0049    0.0041
            Y     0.0126    0.0067    0.0089    0.0085    0.0123    0.0105
            Z    -0.0021   -0.0042    0.0107    0.0009    0.0080    0.0085
 AT. 110 O  X    -0.0028   -0.0003    0.0011    0.0038    0.0049   -0.0041
            Y    -0.0126    0.0067   -0.0089    0.0085    0.0123   -0.0105
            Z    -0.0021    0.0042    0.0107   -0.0009   -0.0080    0.0085
 AT. 111 O  X     0.0028    0.0003   -0.0011   -0.0038    0.0049    0.0041
            Y    -0.0126    0.0067   -0.0089    0.0085   -0.0123   -0.0105
            Z     0.0021   -0.0042   -0.0107    0.0009   -0.0080   -0.0085
 AT. 112 O  X    -0.0028    0.0003    0.0011   -0.0038    0.0049   -0.0041
            Y     0.0126    0.0067    0.0089    0.0085   -0.0123    0.0105
            Z     0.0021    0.0042   -0.0107   -0.0009    0.0080   -0.0085
 AT. 113 O  X     0.0028   -0.0003    0.0011   -0.0038    0.0049    0.0041
            Y     0.0126    0.0067   -0.0089   -0.0085    0.0123    0.0105
            Z    -0.0021   -0.0042   -0.0107   -0.0009    0.0080    0.0085
 AT. 114 O  X    -0.0028   -0.0003   -0.0011   -0.0038    0.0049   -0.0041
            Y    -0.0126    0.0067    0.0089   -0.0085    0.0123   -0.0105
            Z    -0.0021    0.0042   -0.0107    0.0009   -0.0080    0.0085
 AT. 115 O  X     0.0028    0.0003    0.0011    0.0038    0.0049    0.0041
            Y    -0.0126    0.0067    0.0089   -0.0085   -0.0123   -0.0105
            Z     0.0021   -0.0042    0.0107   -0.0009   -0.0080   -0.0085
 AT. 116 O  X    -0.0028    0.0003   -0.0011    0.0038    0.0049   -0.0041
            Y     0.0126    0.0067   -0.0089   -0.0085   -0.0123    0.0105
            Z     0.0021    0.0042    0.0107    0.0009    0.0080   -0.0085
 AT. 117 O  X    -0.0049   -0.0002    0.0080   -0.0026   -0.0049   -0.0003
            Y    -0.0038    0.0010   -0.0026    0.0014    0.0045    0.0004
            Z     0.0055   -0.0011   -0.0100    0.0011    0.0092   -0.0005
 AT. 118 O  X     0.0049   -0.0002   -0.0080   -0.0026   -0.0049    0.0003
            Y     0.0038    0.0010    0.0026    0.0014    0.0045   -0.0004
            Z     0.0055    0.0011   -0.0100   -0.0011   -0.0092   -0.0005
 AT. 119 O  X    -0.0049    0.0002    0.0080    0.0026   -0.0049   -0.0003
            Y     0.0038    0.0010    0.0026    0.0014   -0.0045   -0.0004
            Z    -0.0055   -0.0011    0.0100    0.0011   -0.0092    0.0005
 AT. 120 O  X     0.0049    0.0002   -0.0080    0.0026   -0.0049    0.0003
            Y    -0.0038    0.0010   -0.0026    0.0014   -0.0045    0.0004
            Z    -0.0055    0.0011    0.0100   -0.0011    0.0092    0.0005
 AT. 121 O  X    -0.0049   -0.0002   -0.0080    0.0026   -0.0049   -0.0003
            Y    -0.0038    0.0010    0.0026   -0.0014    0.0045    0.0004
            Z     0.0055   -0.0011    0.0100   -0.0011    0.0092   -0.0005
 AT. 122 O  X     0.0049   -0.0002    0.0080    0.0026   -0.0049    0.0003
            Y     0.0038    0.0010   -0.0026   -0.0014    0.0045   -0.0004
            Z     0.0055    0.0011    0.0100    0.0011   -0.0092   -0.0005
 AT. 123 O  X    -0.0049    0.0002   -0.0080   -0.0026   -0.0049   -0.0003
            Y     0.0038    0.0010   -0.0026   -0.0014   -0.0045   -0.0004
            Z    -0.0055   -0.0011   -0.0100   -0.0011   -0.0092    0.0005
 AT. 124 O  X     0.0049    0.0002    0.0080   -0.0026   -0.0049    0.0003
            Y    -0.0038    0.0010    0.0026   -0.0014   -0.0045    0.0004
            Z    -0.0055    0.0011   -0.0100    0.0011    0.0092    0.0005

 FREQ(CM**-1)    317.75    318.26    318.85    320.31    321.29    321.68

 AT.   1 SI X     0.0039    0.0020   -0.0025   -0.0024   -0.0029   -0.0011
            Y     0.0014    0.0000    0.0001   -0.0007   -0.0008   -0.0048
            Z     0.0027   -0.0041    0.0038   -0.0095   -0.0047    0.0001
 AT.   2 SI X     0.0039    0.0020    0.0025    0.0024    0.0029    0.0011
            Y     0.0014    0.0000   -0.0001    0.0007    0.0008    0.0048
            Z    -0.0027    0.0041    0.0038   -0.0095   -0.0047    0.0001
 AT.   3 SI X     0.0039    0.0020    0.0025    0.0024   -0.0029    0.0011
            Y    -0.0014    0.0000    0.0001   -0.0007    0.0008   -0.0048
            Z    -0.0027    0.0041    0.0038   -0.0095    0.0047    0.0001
 AT.   4 SI X     0.0039    0.0020   -0.0025   -0.0024    0.0029   -0.0011
            Y    -0.0014    0.0000   -0.0001    0.0007   -0.0008    0.0048
            Z     0.0027   -0.0041    0.0038   -0.0095    0.0047    0.0001
 AT.   5 SI X    -0.0039    0.0020    0.0025    0.0024    0.0029   -0.0011
            Y    -0.0014    0.0000   -0.0001    0.0007    0.0008   -0.0048
            Z    -0.0027   -0.0041   -0.0038    0.0095    0.0047    0.0001
 AT.   6 SI X    -0.0039    0.0020   -0.0025   -0.0024   -0.0029    0.0011
            Y    -0.0014    0.0000    0.0001   -0.0007   -0.0008    0.0048
            Z     0.0027    0.0041   -0.0038    0.0095    0.0047    0.0001
 AT.   7 SI X    -0.0039    0.0020   -0.0025   -0.0024    0.0029    0.0011
            Y     0.0014    0.0000   -0.0001    0.0007   -0.0008   -0.0048
            Z     0.0027    0.0041   -0.0038    0.0095   -0.0047    0.0001
 AT.   8 SI X    -0.0039    0.0020    0.0025    0.0024   -0.0029   -0.0011
            Y     0.0014    0.0000    0.0001   -0.0007    0.0008    0.0048
            Z    -0.0027   -0.0041   -0.0038    0.0095   -0.0047    0.0001
 AT.   9 SI X     0.0018   -0.0004    0.0004   -0.0006    0.0009    0.0001
            Y    -0.0004   -0.0077    0.0079   -0.0007   -0.0013   -0.0007
            Z    -0.0003   -0.0025    0.0025    0.0009    0.0031    0.0004
 AT.  10 SI X     0.0018   -0.0004   -0.0004    0.0006   -0.0009   -0.0001
            Y    -0.0004   -0.0077   -0.0079    0.0007    0.0013    0.0007
            Z     0.0003    0.0025    0.0025    0.0009    0.0031    0.0004
 AT.  11 SI X     0.0018   -0.0004   -0.0004    0.0006    0.0009   -0.0001
            Y     0.0004    0.0077    0.0079   -0.0007    0.0013   -0.0007
            Z     0.0003    0.0025    0.0025    0.0009   -0.0031    0.0004
 AT.  12 SI X     0.0018   -0.0004    0.0004   -0.0006   -0.0009    0.0001
            Y     0.0004    0.0077   -0.0079    0.0007   -0.0013    0.0007
            Z    -0.0003   -0.0025    0.0025    0.0009   -0.0031    0.0004
 AT.  13 SI X    -0.0018   -0.0004   -0.0004    0.0006   -0.0009    0.0001
            Y     0.0004   -0.0077   -0.0079    0.0007    0.0013   -0.0007
            Z     0.0003   -0.0025   -0.0025   -0.0009   -0.0031    0.0004
 AT.  14 SI X    -0.0018   -0.0004    0.0004   -0.0006    0.0009   -0.0001
            Y     0.0004   -0.0077    0.0079   -0.0007   -0.0013    0.0007
            Z    -0.0003    0.0025   -0.0025   -0.0009   -0.0031    0.0004
 AT.  15 SI X    -0.0018   -0.0004    0.0004   -0.0006   -0.0009   -0.0001
            Y    -0.0004    0.0077   -0.0079    0.0007   -0.0013   -0.0007
            Z    -0.0003    0.0025   -0.0025   -0.0009    0.0031    0.0004
 AT.  16 SI X    -0.0018   -0.0004   -0.0004    0.0006    0.0009    0.0001
            Y    -0.0004    0.0077    0.0079   -0.0007    0.0013    0.0007
            Z     0.0003   -0.0025   -0.0025   -0.0009    0.0031    0.0004
 AT.  17 SI X    -0.0074   -0.0078    0.0094   -0.0002    0.0000    0.0011
            Y     0.0000    0.0000    0.0000    0.0000    0.0005    0.0000
            Z    -0.0082   -0.0037    0.0044   -0.0012    0.0000    0.0009
 AT.  18 SI X    -0.0074   -0.0078   -0.0094    0.0002    0.0000   -0.0011
            Y     0.0000    0.0000    0.0000    0.0000   -0.0005    0.0000
            Z     0.0082    0.0037    0.0044   -0.0012    0.0000    0.0009
 AT.  19 SI X     0.0074   -0.0078   -0.0094    0.0002    0.0000    0.0011
            Y     0.0000    0.0000    0.0000    0.0000   -0.0005    0.0000
            Z     0.0082   -0.0037   -0.0044    0.0012    0.0000    0.0009
 AT.  20 SI X     0.0074   -0.0078    0.0094   -0.0002    0.0000   -0.0011
            Y     0.0000    0.0000    0.0000    0.0000    0.0005    0.0000
            Z    -0.0082    0.0037   -0.0044    0.0012    0.0000    0.0009
 AT.  21 CA X     0.0008   -0.0001   -0.0002    0.0049   -0.0004   -0.0013
            Y     0.0003    0.0016    0.0004    0.0020    0.0008    0.0141
            Z     0.0053    0.0041    0.0000   -0.0043   -0.0071   -0.0023
 AT.  22 CA X     0.0008   -0.0001    0.0002   -0.0049    0.0004    0.0013
            Y     0.0003    0.0016   -0.0004   -0.0020   -0.0008   -0.0141
            Z    -0.0053   -0.0041    0.0000   -0.0043   -0.0071   -0.0023
 AT.  23 CA X     0.0008   -0.0001    0.0002   -0.0049   -0.0004    0.0013
            Y    -0.0003   -0.0016    0.0004    0.0020   -0.0008    0.0141
            Z    -0.0053   -0.0041    0.0000   -0.0043    0.0071   -0.0023
 AT.  24 CA X     0.0008   -0.0001   -0.0002    0.0049    0.0004   -0.0013
            Y    -0.0003   -0.0016   -0.0004   -0.0020    0.0008   -0.0141
            Z     0.0053    0.0041    0.0000   -0.0043    0.0071   -0.0023
 AT.  25 CA X    -0.0008   -0.0001    0.0002   -0.0049    0.0004   -0.0013
            Y    -0.0003    0.0016   -0.0004   -0.0020   -0.0008    0.0141
            Z    -0.0053    0.0041    0.0000    0.0043    0.0071   -0.0023
 AT.  26 CA X    -0.0008   -0.0001   -0.0002    0.0049   -0.0004    0.0013
            Y    -0.0003    0.0016    0.0004    0.0020    0.0008   -0.0141
            Z     0.0053   -0.0041    0.0000    0.0043    0.0071   -0.0023
 AT.  27 CA X    -0.0008   -0.0001   -0.0002    0.0049    0.0004    0.0013
            Y     0.0003   -0.0016   -0.0004   -0.0020    0.0008    0.0141
            Z     0.0053   -0.0041    0.0000    0.0043   -0.0071   -0.0023
 AT.  28 CA X    -0.0008   -0.0001    0.0002   -0.0049   -0.0004   -0.0013
            Y     0.0003   -0.0016    0.0004    0.0020   -0.0008   -0.0141
            Z    -0.0053    0.0041    0.0000    0.0043   -0.0071   -0.0023
 AT.  29 CA X     0.0000   -0.0009    0.0000    0.0000    0.0000    0.0066
            Y     0.0000    0.0037    0.0000    0.0000    0.0000   -0.0006
            Z     0.0000    0.0025    0.0000    0.0000    0.0000    0.0046
 AT.  30 CA X     0.0000   -0.0009    0.0000    0.0000    0.0000   -0.0066
            Y     0.0000    0.0037    0.0000    0.0000    0.0000    0.0006
            Z     0.0000   -0.0025    0.0000    0.0000    0.0000    0.0046
 AT.  31 CA X     0.0000   -0.0009    0.0000    0.0000    0.0000   -0.0066
            Y     0.0000   -0.0037    0.0000    0.0000    0.0000   -0.0006
            Z     0.0000   -0.0025    0.0000    0.0000    0.0000    0.0046
 AT.  32 CA X     0.0000   -0.0009    0.0000    0.0000    0.0000    0.0066
            Y     0.0000   -0.0037    0.0000    0.0000    0.0000    0.0006
            Z     0.0000    0.0025    0.0000    0.0000    0.0000    0.0046
 AT.  33 CA X    -0.0083   -0.0078    0.0074    0.0012    0.0039    0.0024
            Y    -0.0042   -0.0034    0.0027    0.0006    0.0039    0.0013
            Z     0.0072    0.0107   -0.0102    0.0013   -0.0056   -0.0034
 AT.  34 CA X    -0.0083   -0.0078   -0.0074   -0.0012   -0.0039   -0.0024
            Y    -0.0042   -0.0034   -0.0027   -0.0006   -0.0039   -0.0013
            Z    -0.0072   -0.0107   -0.0102    0.0013   -0.0056   -0.0034
 AT.  35 CA X    -0.0083   -0.0078   -0.0074   -0.0012    0.0039   -0.0024
            Y     0.0042    0.0034    0.0027    0.0006   -0.0039    0.0013
            Z    -0.0072   -0.0107   -0.0102    0.0013    0.0056   -0.0034
 AT.  36 CA X    -0.0083   -0.0078    0.0074    0.0012   -0.0039    0.0024
            Y     0.0042    0.0034   -0.0027   -0.0006    0.0039   -0.0013
            Z     0.0072    0.0107   -0.0102    0.0013    0.0056   -0.0034
 AT.  37 CA X     0.0083   -0.0078   -0.0074   -0.0012   -0.0039    0.0024
            Y     0.0042   -0.0034   -0.0027   -0.0006   -0.0039    0.0013
            Z    -0.0072    0.0107    0.0102   -0.0013    0.0056   -0.0034
 AT.  38 CA X     0.0083   -0.0078    0.0074    0.0012    0.0039   -0.0024
            Y     0.0042   -0.0034    0.0027    0.0006    0.0039   -0.0013
            Z     0.0072   -0.0107    0.0102   -0.0013    0.0056   -0.0034
 AT.  39 CA X     0.0083   -0.0078    0.0074    0.0012   -0.0039   -0.0024
            Y    -0.0042    0.0034   -0.0027   -0.0006    0.0039    0.0013
            Z     0.0072   -0.0107    0.0102   -0.0013   -0.0056   -0.0034
 AT.  40 CA X     0.0083   -0.0078   -0.0074   -0.0012    0.0039    0.0024
            Y    -0.0042    0.0034    0.0027    0.0006   -0.0039   -0.0013
            Z    -0.0072    0.0107    0.0102   -0.0013   -0.0056   -0.0034
 AT.  41 CA X    -0.0084    0.0019   -0.0016    0.0043    0.0051    0.0039
            Y    -0.0024    0.0034   -0.0034    0.0061    0.0036    0.0034
            Z    -0.0055   -0.0025    0.0045    0.0092    0.0095    0.0022
 AT.  42 CA X    -0.0084    0.0019    0.0016   -0.0043   -0.0051   -0.0039
            Y    -0.0024    0.0034    0.0034   -0.0061   -0.0036   -0.0034
            Z     0.0055    0.0025    0.0045    0.0092    0.0095    0.0022
 AT.  43 CA X    -0.0084    0.0019    0.0016   -0.0043    0.0051   -0.0039
            Y     0.0024   -0.0034   -0.0034    0.0061   -0.0036    0.0034
            Z     0.0055    0.0025    0.0045    0.0092   -0.0095    0.0022
 AT.  44 CA X    -0.0084    0.0019   -0.0016    0.0043   -0.0051    0.0039
            Y     0.0024   -0.0034    0.0034   -0.0061    0.0036   -0.0034
            Z    -0.0055   -0.0025    0.0045    0.0092   -0.0095    0.0022
 AT.  45 CA X     0.0084    0.0019    0.0016   -0.0043   -0.0051    0.0039
            Y     0.0024    0.0034    0.0034   -0.0061   -0.0036    0.0034
            Z     0.0055   -0.0025   -0.0045   -0.0092   -0.0095    0.0022
 AT.  46 CA X     0.0084    0.0019   -0.0016    0.0043    0.0051   -0.0039
            Y     0.0024    0.0034   -0.0034    0.0061    0.0036   -0.0034
            Z    -0.0055    0.0025   -0.0045   -0.0092   -0.0095    0.0022
 AT.  47 CA X     0.0084    0.0019   -0.0016    0.0043   -0.0051   -0.0039
            Y    -0.0024   -0.0034    0.0034   -0.0061    0.0036    0.0034
            Z    -0.0055    0.0025   -0.0045   -0.0092    0.0095    0.0022
 AT.  48 CA X     0.0084    0.0019    0.0016   -0.0043    0.0051    0.0039
            Y    -0.0024   -0.0034   -0.0034    0.0061   -0.0036   -0.0034
            Z     0.0055   -0.0025   -0.0045   -0.0092    0.0095    0.0022
 AT.  49 CA X     0.0013    0.0017   -0.0018    0.0011    0.0000   -0.0024
            Y     0.0000    0.0000    0.0000    0.0000    0.0006    0.0000
            Z     0.0001    0.0017   -0.0024    0.0019    0.0000   -0.0007
 AT.  50 CA X     0.0013    0.0017    0.0018   -0.0011    0.0000    0.0024
            Y     0.0000    0.0000    0.0000    0.0000   -0.0006    0.0000
            Z    -0.0001   -0.0017   -0.0024    0.0019    0.0000   -0.0007
 AT.  51 CA X    -0.0013    0.0017    0.0018   -0.0011    0.0000   -0.0024
            Y     0.0000    0.0000    0.0000    0.0000   -0.0006    0.0000
            Z    -0.0001    0.0017    0.0024   -0.0019    0.0000   -0.0007
 AT.  52 CA X    -0.0013    0.0017   -0.0018    0.0011    0.0000    0.0024
            Y     0.0000    0.0000    0.0000    0.0000    0.0006    0.0000
            Z     0.0001   -0.0017    0.0024   -0.0019    0.0000   -0.0007
 AT.  53 O  X     0.0049    0.0009   -0.0007   -0.0049   -0.0026    0.0127
            Y     0.0023    0.0019   -0.0019    0.0001   -0.0022   -0.0122
            Z     0.0185    0.0003   -0.0033   -0.0248   -0.0211    0.0022
 AT.  54 O  X     0.0049    0.0009    0.0007    0.0049    0.0026   -0.0127
            Y     0.0023    0.0019    0.0019   -0.0001    0.0022    0.0122
            Z    -0.0185   -0.0003   -0.0033   -0.0248   -0.0211    0.0022
 AT.  55 O  X     0.0049    0.0009    0.0007    0.0049   -0.0026   -0.0127
            Y    -0.0023   -0.0019   -0.0019    0.0001    0.0022   -0.0122
            Z    -0.0185   -0.0003   -0.0033   -0.0248    0.0211    0.0022
 AT.  56 O  X     0.0049    0.0009   -0.0007   -0.0049    0.0026    0.0127
            Y    -0.0023   -0.0019    0.0019   -0.0001   -0.0022    0.0122
            Z     0.0185    0.0003   -0.0033   -0.0248    0.0211    0.0022
 AT.  57 O  X    -0.0049    0.0009    0.0007    0.0049    0.0026    0.0127
            Y    -0.0023    0.0019    0.0019   -0.0001    0.0022   -0.0122
            Z    -0.0185    0.0003    0.0033    0.0248    0.0211    0.0022
 AT.  58 O  X    -0.0049    0.0009   -0.0007   -0.0049   -0.0026   -0.0127
            Y    -0.0023    0.0019   -0.0019    0.0001   -0.0022    0.0122
            Z     0.0185   -0.0003    0.0033    0.0248    0.0211    0.0022
 AT.  59 O  X    -0.0049    0.0009   -0.0007   -0.0049    0.0026   -0.0127
            Y     0.0023   -0.0019    0.0019   -0.0001   -0.0022   -0.0122
            Z     0.0185   -0.0003    0.0033    0.0248   -0.0211    0.0022
 AT.  60 O  X    -0.0049    0.0009    0.0007    0.0049   -0.0026    0.0127
            Y     0.0023   -0.0019   -0.0019    0.0001    0.0022    0.0122
            Z    -0.0185    0.0003    0.0033    0.0248   -0.0211    0.0022
 AT.  61 O  X     0.0190    0.0072   -0.0115   -0.0144   -0.0191   -0.0095
            Y     0.0022    0.0027   -0.0038    0.0021   -0.0031   -0.0204
            Z     0.0087   -0.0032    0.0011   -0.0145   -0.0106    0.0054
 AT.  62 O  X     0.0190    0.0072    0.0115    0.0144    0.0191    0.0095
            Y     0.0022    0.0027    0.0038   -0.0021    0.0031    0.0204
            Z    -0.0087    0.0032    0.0011   -0.0145   -0.0106    0.0054
 AT.  63 O  X     0.0190    0.0072    0.0115    0.0144   -0.0191    0.0095
            Y    -0.0022   -0.0027   -0.0038    0.0021    0.0031   -0.0204
            Z    -0.0087    0.0032    0.0011   -0.0145    0.0106    0.0054
 AT.  64 O  X     0.0190    0.0072   -0.0115   -0.0144    0.0191   -0.0095
            Y    -0.0022   -0.0027    0.0038   -0.0021   -0.0031    0.0204
            Z     0.0087   -0.0032    0.0011   -0.0145    0.0106    0.0054
 AT.  65 O  X    -0.0190    0.0072    0.0115    0.0144    0.0191   -0.0095
            Y    -0.0022    0.0027    0.0038   -0.0021    0.0031   -0.0204
            Z    -0.0087   -0.0032   -0.0011    0.0145    0.0106    0.0054
 AT.  66 O  X    -0.0190    0.0072   -0.0115   -0.0144   -0.0191    0.0095
            Y    -0.0022    0.0027   -0.0038    0.0021   -0.0031    0.0204
            Z     0.0087    0.0032   -0.0011    0.0145    0.0106    0.0054
 AT.  67 O  X    -0.0190    0.0072   -0.0115   -0.0144    0.0191    0.0095
            Y     0.0022   -0.0027    0.0038   -0.0021   -0.0031   -0.0204
            Z     0.0087    0.0032   -0.0011    0.0145   -0.0106    0.0054
 AT.  68 O  X    -0.0190    0.0072    0.0115    0.0144   -0.0191   -0.0095
            Y     0.0022   -0.0027   -0.0038    0.0021    0.0031    0.0204
            Z    -0.0087   -0.0032   -0.0011    0.0145   -0.0106    0.0054
 AT.  69 O  X    -0.0100    0.0022    0.0004    0.0119    0.0118   -0.0118
            Y     0.0072   -0.0004   -0.0023   -0.0027   -0.0069   -0.0185
            Z     0.0125   -0.0047    0.0011   -0.0171   -0.0152   -0.0021
 AT.  70 O  X    -0.0100    0.0022   -0.0004   -0.0119   -0.0118    0.0118
            Y     0.0072   -0.0004    0.0023    0.0027    0.0069    0.0185
            Z    -0.0125    0.0047    0.0011   -0.0171   -0.0152   -0.0021
 AT.  71 O  X    -0.0100    0.0022   -0.0004   -0.0119    0.0118    0.0118
            Y    -0.0072    0.0004   -0.0023   -0.0027    0.0069   -0.0185
            Z    -0.0125    0.0047    0.0011   -0.0171    0.0152   -0.0021
 AT.  72 O  X    -0.0100    0.0022    0.0004    0.0119   -0.0118   -0.0118
            Y    -0.0072    0.0004    0.0023    0.0027   -0.0069    0.0185
            Z     0.0125   -0.0047    0.0011   -0.0171    0.0152   -0.0021
 AT.  73 O  X     0.0100    0.0022   -0.0004   -0.0119   -0.0118   -0.0118
            Y    -0.0072   -0.0004    0.0023    0.0027    0.0069   -0.0185
            Z    -0.0125   -0.0047   -0.0011    0.0171    0.0152   -0.0021
 AT.  74 O  X     0.0100    0.0022    0.0004    0.0119    0.0118    0.0118
            Y    -0.0072   -0.0004   -0.0023   -0.0027   -0.0069    0.0185
            Z     0.0125    0.0047   -0.0011    0.0171    0.0152   -0.0021
 AT.  75 O  X     0.0100    0.0022    0.0004    0.0119   -0.0118    0.0118
            Y     0.0072    0.0004    0.0023    0.0027   -0.0069   -0.0185
            Z     0.0125    0.0047   -0.0011    0.0171   -0.0152   -0.0021
 AT.  76 O  X     0.0100    0.0022   -0.0004   -0.0119    0.0118   -0.0118
            Y     0.0072    0.0004   -0.0023   -0.0027    0.0069    0.0185
            Z    -0.0125   -0.0047   -0.0011    0.0171   -0.0152   -0.0021
 AT.  77 O  X     0.0051    0.0027   -0.0032   -0.0033   -0.0038   -0.0018
            Y    -0.0057   -0.0001    0.0032   -0.0009    0.0062    0.0217
            Z    -0.0246   -0.0068    0.0089    0.0246    0.0234   -0.0067
 AT.  78 O  X     0.0051    0.0027    0.0032    0.0033    0.0038    0.0018
            Y    -0.0057   -0.0001   -0.0032    0.0009   -0.0062   -0.0217
            Z     0.0246    0.0068    0.0089    0.0246    0.0234   -0.0067
 AT.  79 O  X     0.0051    0.0027    0.0032    0.0033   -0.0038    0.0018
            Y     0.0057    0.0001    0.0032   -0.0009   -0.0062    0.0217
            Z     0.0246    0.0068    0.0089    0.0246   -0.0234   -0.0067
 AT.  80 O  X     0.0051    0.0027   -0.0032   -0.0033    0.0038   -0.0018
            Y     0.0057    0.0001   -0.0032    0.0009    0.0062   -0.0217
            Z    -0.0246   -0.0068    0.0089    0.0246   -0.0234   -0.0067
 AT.  81 O  X    -0.0051    0.0027    0.0032    0.0033    0.0038   -0.0018
            Y     0.0057   -0.0001   -0.0032    0.0009   -0.0062    0.0217
            Z     0.0246   -0.0068   -0.0089   -0.0246   -0.0234   -0.0067
 AT.  82 O  X    -0.0051    0.0027   -0.0032   -0.0033   -0.0038    0.0018
            Y     0.0057   -0.0001    0.0032   -0.0009    0.0062   -0.0217
            Z    -0.0246    0.0068   -0.0089   -0.0246   -0.0234   -0.0067
 AT.  83 O  X    -0.0051    0.0027   -0.0032   -0.0033    0.0038    0.0018
            Y    -0.0057    0.0001   -0.0032    0.0009    0.0062    0.0217
            Z    -0.0246    0.0068   -0.0089   -0.0246    0.0234   -0.0067
 AT.  84 O  X    -0.0051    0.0027    0.0032    0.0033   -0.0038   -0.0018
            Y    -0.0057    0.0001    0.0032   -0.0009   -0.0062   -0.0217
            Z     0.0246   -0.0068   -0.0089   -0.0246    0.0234   -0.0067
 AT.  85 O  X     0.0026   -0.0084    0.0069   -0.0061    0.0017    0.0002
            Y    -0.0066   -0.0196    0.0191   -0.0036    0.0011    0.0009
            Z     0.0030    0.0004   -0.0008   -0.0001    0.0026   -0.0009
 AT.  86 O  X     0.0026   -0.0084   -0.0069    0.0061   -0.0017   -0.0002
            Y    -0.0066   -0.0196   -0.0191    0.0036   -0.0011   -0.0009
            Z    -0.0030   -0.0004   -0.0008   -0.0001    0.0026   -0.0009
 AT.  87 O  X     0.0026   -0.0084   -0.0069    0.0061    0.0017   -0.0002
            Y     0.0066    0.0196    0.0191   -0.0036   -0.0011    0.0009
            Z    -0.0030   -0.0004   -0.0008   -0.0001   -0.0026   -0.0009
 AT.  88 O  X     0.0026   -0.0084    0.0069   -0.0061   -0.0017    0.0002
            Y     0.0066    0.0196   -0.0191    0.0036    0.0011   -0.0009
            Z     0.0030    0.0004   -0.0008   -0.0001   -0.0026   -0.0009
 AT.  89 O  X    -0.0026   -0.0084   -0.0069    0.0061   -0.0017    0.0002
            Y     0.0066   -0.0196   -0.0191    0.0036   -0.0011    0.0009
            Z    -0.0030    0.0004    0.0008    0.0001   -0.0026   -0.0009
 AT.  90 O  X    -0.0026   -0.0084    0.0069   -0.0061    0.0017   -0.0002
            Y     0.0066   -0.0196    0.0191   -0.0036    0.0011   -0.0009
            Z     0.0030   -0.0004    0.0008    0.0001   -0.0026   -0.0009
 AT.  91 O  X    -0.0026   -0.0084    0.0069   -0.0061   -0.0017   -0.0002
            Y    -0.0066    0.0196   -0.0191    0.0036    0.0011    0.0009
            Z     0.0030   -0.0004    0.0008    0.0001    0.0026   -0.0009
 AT.  92 O  X    -0.0026   -0.0084   -0.0069    0.0061    0.0017    0.0002
            Y    -0.0066    0.0196    0.0191   -0.0036   -0.0011   -0.0009
            Z    -0.0030    0.0004    0.0008    0.0001    0.0026   -0.0009
 AT.  93 O  X     0.0077    0.0186   -0.0178    0.0013   -0.0055   -0.0019
            Y    -0.0033   -0.0154    0.0154   -0.0016    0.0019    0.0011
            Z     0.0033    0.0109   -0.0130    0.0067   -0.0018   -0.0097
 AT.  94 O  X     0.0077    0.0186    0.0178   -0.0013    0.0055    0.0019
            Y    -0.0033   -0.0154   -0.0154    0.0016   -0.0019   -0.0011
            Z    -0.0033   -0.0109   -0.0130    0.0067   -0.0018   -0.0097
 AT.  95 O  X     0.0077    0.0186    0.0178   -0.0013   -0.0055    0.0019
            Y     0.0033    0.0154    0.0154   -0.0016   -0.0019    0.0011
            Z    -0.0033   -0.0109   -0.0130    0.0067    0.0018   -0.0097
 AT.  96 O  X     0.0077    0.0186   -0.0178    0.0013    0.0055   -0.0019
            Y     0.0033    0.0154   -0.0154    0.0016    0.0019   -0.0011
            Z     0.0033    0.0109   -0.0130    0.0067    0.0018   -0.0097
 AT.  97 O  X    -0.0077    0.0186    0.0178   -0.0013    0.0055   -0.0019
            Y     0.0033   -0.0154   -0.0154    0.0016   -0.0019    0.0011
            Z    -0.0033    0.0109    0.0130   -0.0067    0.0018   -0.0097
 AT.  98 O  X    -0.0077    0.0186   -0.0178    0.0013   -0.0055    0.0019
            Y     0.0033   -0.0154    0.0154   -0.0016    0.0019   -0.0011
            Z     0.0033   -0.0109    0.0130   -0.0067    0.0018   -0.0097
 AT.  99 O  X    -0.0077    0.0186   -0.0178    0.0013    0.0055    0.0019
            Y    -0.0033    0.0154   -0.0154    0.0016    0.0019    0.0011
            Z     0.0033   -0.0109    0.0130   -0.0067   -0.0018   -0.0097
 AT. 100 O  X    -0.0077    0.0186    0.0178   -0.0013   -0.0055   -0.0019
            Y    -0.0033    0.0154    0.0154   -0.0016   -0.0019   -0.0011
            Z    -0.0033    0.0109    0.0130   -0.0067   -0.0018   -0.0097
 AT. 101 O  X    -0.0055   -0.0108    0.0120   -0.0025    0.0042    0.0051
            Y    -0.0005   -0.0037    0.0034    0.0010    0.0014   -0.0016
            Z    -0.0021   -0.0031    0.0025    0.0011    0.0046   -0.0004
 AT. 102 O  X    -0.0055   -0.0108   -0.0120    0.0025   -0.0042   -0.0051
            Y    -0.0005   -0.0037   -0.0034   -0.0010   -0.0014    0.0016
            Z     0.0021    0.0031    0.0025    0.0011    0.0046   -0.0004
 AT. 103 O  X    -0.0055   -0.0108   -0.0120    0.0025    0.0042   -0.0051
            Y     0.0005    0.0037    0.0034    0.0010   -0.0014   -0.0016
            Z     0.0021    0.0031    0.0025    0.0011   -0.0046   -0.0004
 AT. 104 O  X    -0.0055   -0.0108    0.0120   -0.0025   -0.0042    0.0051
            Y     0.0005    0.0037   -0.0034   -0.0010    0.0014    0.0016
            Z    -0.0021   -0.0031    0.0025    0.0011   -0.0046   -0.0004
 AT. 105 O  X     0.0055   -0.0108   -0.0120    0.0025   -0.0042    0.0051
            Y     0.0005   -0.0037   -0.0034   -0.0010   -0.0014   -0.0016
            Z     0.0021   -0.0031   -0.0025   -0.0011   -0.0046   -0.0004
 AT. 106 O  X     0.0055   -0.0108    0.0120   -0.0025    0.0042   -0.0051
            Y     0.0005   -0.0037    0.0034    0.0010    0.0014    0.0016
            Z    -0.0021    0.0031   -0.0025   -0.0011   -0.0046   -0.0004
 AT. 107 O  X     0.0055   -0.0108    0.0120   -0.0025   -0.0042   -0.0051
            Y    -0.0005    0.0037   -0.0034   -0.0010    0.0014   -0.0016
            Z    -0.0021    0.0031   -0.0025   -0.0011    0.0046   -0.0004
 AT. 108 O  X     0.0055   -0.0108   -0.0120    0.0025    0.0042    0.0051
            Y    -0.0005    0.0037    0.0034    0.0010   -0.0014    0.0016
            Z     0.0021   -0.0031   -0.0025   -0.0011    0.0046   -0.0004
 AT. 109 O  X     0.0018   -0.0013    0.0014   -0.0011    0.0010    0.0005
            Y     0.0068    0.0175   -0.0149    0.0010   -0.0110   -0.0045
            Z    -0.0016   -0.0119    0.0104   -0.0067    0.0076    0.0113
 AT. 110 O  X     0.0018   -0.0013   -0.0014    0.0011   -0.0010   -0.0005
            Y     0.0068    0.0175    0.0149   -0.0010    0.0110    0.0045
            Z     0.0016    0.0119    0.0104   -0.0067    0.0076    0.0113
 AT. 111 O  X     0.0018   -0.0013   -0.0014    0.0011    0.0010   -0.0005
            Y    -0.0068   -0.0175   -0.0149    0.0010    0.0110   -0.0045
            Z     0.0016    0.0119    0.0104   -0.0067   -0.0076    0.0113
 AT. 112 O  X     0.0018   -0.0013    0.0014   -0.0011   -0.0010    0.0005
            Y    -0.0068   -0.0175    0.0149   -0.0010   -0.0110    0.0045
            Z    -0.0016   -0.0119    0.0104   -0.0067   -0.0076    0.0113
 AT. 113 O  X    -0.0018   -0.0013   -0.0014    0.0011   -0.0010    0.0005
            Y    -0.0068    0.0175    0.0149   -0.0010    0.0110   -0.0045
            Z     0.0016   -0.0119   -0.0104    0.0067   -0.0076    0.0113
 AT. 114 O  X    -0.0018   -0.0013    0.0014   -0.0011    0.0010   -0.0005
            Y    -0.0068    0.0175   -0.0149    0.0010   -0.0110    0.0045
            Z    -0.0016    0.0119   -0.0104    0.0067   -0.0076    0.0113
 AT. 115 O  X    -0.0018   -0.0013    0.0014   -0.0011   -0.0010   -0.0005
            Y     0.0068   -0.0175    0.0149   -0.0010   -0.0110   -0.0045
            Z    -0.0016    0.0119   -0.0104    0.0067    0.0076    0.0113
 AT. 116 O  X    -0.0018   -0.0013   -0.0014    0.0011    0.0010    0.0005
            Y     0.0068   -0.0175   -0.0149    0.0010    0.0110    0.0045
            Z     0.0016   -0.0119   -0.0104    0.0067    0.0076    0.0113
 AT. 117 O  X    -0.0024    0.0065   -0.0072    0.0019   -0.0012   -0.0016
            Y    -0.0035   -0.0048    0.0065   -0.0020   -0.0015    0.0002
            Z    -0.0093   -0.0130    0.0143   -0.0012    0.0030    0.0035
 AT. 118 O  X    -0.0024    0.0065    0.0072   -0.0019    0.0012    0.0016
            Y    -0.0035   -0.0048   -0.0065    0.0020    0.0015   -0.0002
            Z     0.0093    0.0130    0.0143   -0.0012    0.0030    0.0035
 AT. 119 O  X    -0.0024    0.0065    0.0072   -0.0019   -0.0012    0.0016
            Y     0.0035    0.0048    0.0065   -0.0020    0.0015    0.0002
            Z     0.0093    0.0130    0.0143   -0.0012   -0.0030    0.0035
 AT. 120 O  X    -0.0024    0.0065   -0.0072    0.0019    0.0012   -0.0016
            Y     0.0035    0.0048   -0.0065    0.0020   -0.0015   -0.0002
            Z    -0.0093   -0.0130    0.0143   -0.0012   -0.0030    0.0035
 AT. 121 O  X     0.0024    0.0065    0.0072   -0.0019    0.0012   -0.0016
            Y     0.0035   -0.0048   -0.0065    0.0020    0.0015    0.0002
            Z     0.0093   -0.0130   -0.0143    0.0012   -0.0030    0.0035
 AT. 122 O  X     0.0024    0.0065   -0.0072    0.0019   -0.0012    0.0016
            Y     0.0035   -0.0048    0.0065   -0.0020   -0.0015   -0.0002
            Z    -0.0093    0.0130   -0.0143    0.0012   -0.0030    0.0035
 AT. 123 O  X     0.0024    0.0065   -0.0072    0.0019    0.0012    0.0016
            Y    -0.0035    0.0048   -0.0065    0.0020   -0.0015    0.0002
            Z    -0.0093    0.0130   -0.0143    0.0012    0.0030    0.0035
 AT. 124 O  X     0.0024    0.0065    0.0072   -0.0019   -0.0012   -0.0016
            Y    -0.0035    0.0048    0.0065   -0.0020    0.0015   -0.0002
            Z     0.0093   -0.0130   -0.0143    0.0012    0.0030    0.0035

 FREQ(CM**-1)    321.80    322.88    328.14    330.04    332.97    334.33

 AT.   1 SI X    -0.0029   -0.0018   -0.0006    0.0011   -0.0001    0.0026
            Y    -0.0027   -0.0046    0.0018   -0.0025   -0.0006   -0.0001
            Z    -0.0082    0.0010   -0.0037    0.0049    0.0040    0.0012
 AT.   2 SI X    -0.0029   -0.0018    0.0006   -0.0011   -0.0001   -0.0026
            Y    -0.0027   -0.0046   -0.0018    0.0025   -0.0006    0.0001
            Z     0.0082   -0.0010   -0.0037    0.0049   -0.0040    0.0012
 AT.   3 SI X     0.0029    0.0018    0.0006    0.0011   -0.0001   -0.0026
            Y    -0.0027   -0.0046    0.0018    0.0025    0.0006   -0.0001
            Z    -0.0082    0.0010   -0.0037   -0.0049   -0.0040    0.0012
 AT.   4 SI X     0.0029    0.0018   -0.0006   -0.0011   -0.0001    0.0026
            Y    -0.0027   -0.0046   -0.0018   -0.0025    0.0006    0.0001
            Z     0.0082   -0.0010   -0.0037   -0.0049    0.0040    0.0012
 AT.   5 SI X     0.0029   -0.0018   -0.0006    0.0011    0.0001    0.0026
            Y     0.0027   -0.0046    0.0018   -0.0025    0.0006   -0.0001
            Z     0.0082    0.0010   -0.0037    0.0049   -0.0040    0.0012
 AT.   6 SI X     0.0029   -0.0018    0.0006   -0.0011    0.0001   -0.0026
            Y     0.0027   -0.0046   -0.0018    0.0025    0.0006    0.0001
            Z    -0.0082   -0.0010   -0.0037    0.0049    0.0040    0.0012
 AT.   7 SI X    -0.0029    0.0018    0.0006    0.0011    0.0001   -0.0026
            Y     0.0027   -0.0046    0.0018    0.0025   -0.0006   -0.0001
            Z     0.0082    0.0010   -0.0037   -0.0049    0.0040    0.0012
 AT.   8 SI X    -0.0029    0.0018   -0.0006   -0.0011    0.0001    0.0026
            Y     0.0027   -0.0046   -0.0018   -0.0025   -0.0006    0.0001
            Z    -0.0082   -0.0010   -0.0037   -0.0049   -0.0040    0.0012
 AT.   9 SI X    -0.0021    0.0011    0.0038    0.0021   -0.0067    0.0061
            Y     0.0028   -0.0017   -0.0030   -0.0006    0.0035   -0.0021
            Z     0.0032   -0.0004   -0.0014    0.0050   -0.0029    0.0055
 AT.  10 SI X    -0.0021    0.0011   -0.0038   -0.0021   -0.0067   -0.0061
            Y     0.0028   -0.0017    0.0030    0.0006    0.0035    0.0021
            Z    -0.0032    0.0004   -0.0014    0.0050    0.0029    0.0055
 AT.  11 SI X     0.0021   -0.0011   -0.0038    0.0021   -0.0067   -0.0061
            Y     0.0028   -0.0017   -0.0030    0.0006   -0.0035   -0.0021
            Z     0.0032   -0.0004   -0.0014   -0.0050    0.0029    0.0055
 AT.  12 SI X     0.0021   -0.0011    0.0038   -0.0021   -0.0067    0.0061
            Y     0.0028   -0.0017    0.0030   -0.0006   -0.0035    0.0021
            Z    -0.0032    0.0004   -0.0014   -0.0050   -0.0029    0.0055
 AT.  13 SI X     0.0021    0.0011    0.0038    0.0021    0.0067    0.0061
            Y    -0.0028   -0.0017   -0.0030   -0.0006   -0.0035   -0.0021
            Z    -0.0032   -0.0004   -0.0014    0.0050    0.0029    0.0055
 AT.  14 SI X     0.0021    0.0011   -0.0038   -0.0021    0.0067   -0.0061
            Y    -0.0028   -0.0017    0.0030    0.0006   -0.0035    0.0021
            Z     0.0032    0.0004   -0.0014    0.0050   -0.0029    0.0055
 AT.  15 SI X    -0.0021   -0.0011   -0.0038    0.0021    0.0067   -0.0061
            Y    -0.0028   -0.0017   -0.0030    0.0006    0.0035   -0.0021
            Z    -0.0032   -0.0004   -0.0014   -0.0050   -0.0029    0.0055
 AT.  16 SI X    -0.0021   -0.0011    0.0038   -0.0021    0.0067    0.0061
            Y    -0.0028   -0.0017    0.0030   -0.0006    0.0035    0.0021
            Z     0.0032    0.0004   -0.0014   -0.0050    0.0029    0.0055
 AT.  17 SI X     0.0000    0.0000   -0.0142    0.0000    0.0216   -0.0177
            Y    -0.0010   -0.0021    0.0000   -0.0033    0.0000    0.0000
            Z     0.0000    0.0000   -0.0102    0.0000    0.0153   -0.0128
 AT.  18 SI X     0.0000    0.0000    0.0142    0.0000    0.0216    0.0177
            Y    -0.0010   -0.0021    0.0000    0.0033    0.0000    0.0000
            Z     0.0000    0.0000   -0.0102    0.0000   -0.0153   -0.0128
 AT.  19 SI X     0.0000    0.0000   -0.0142    0.0000   -0.0216   -0.0177
            Y     0.0010   -0.0021    0.0000   -0.0033    0.0000    0.0000
            Z     0.0000    0.0000   -0.0102    0.0000   -0.0153   -0.0128
 AT.  20 SI X     0.0000    0.0000    0.0142    0.0000   -0.0216    0.0177
            Y     0.0010   -0.0021    0.0000    0.0033    0.0000    0.0000
            Z     0.0000    0.0000   -0.0102    0.0000    0.0153   -0.0128
 AT.  21 CA X     0.0028   -0.0015   -0.0022   -0.0009    0.0000    0.0009
            Y    -0.0010    0.0137    0.0028    0.0011   -0.0014   -0.0016
            Z    -0.0043   -0.0019    0.0031   -0.0077    0.0029   -0.0019
 AT.  22 CA X     0.0028   -0.0015    0.0022    0.0009    0.0000   -0.0009
            Y    -0.0010    0.0137   -0.0028   -0.0011   -0.0014    0.0016
            Z     0.0043    0.0019    0.0031   -0.0077   -0.0029   -0.0019
 AT.  23 CA X    -0.0028    0.0015    0.0022   -0.0009    0.0000   -0.0009
            Y    -0.0010    0.0137    0.0028   -0.0011    0.0014   -0.0016
            Z    -0.0043   -0.0019    0.0031    0.0077   -0.0029   -0.0019
 AT.  24 CA X    -0.0028    0.0015   -0.0022    0.0009    0.0000    0.0009
            Y    -0.0010    0.0137   -0.0028    0.0011    0.0014    0.0016
            Z     0.0043    0.0019    0.0031    0.0077    0.0029   -0.0019
 AT.  25 CA X    -0.0028   -0.0015   -0.0022   -0.0009    0.0000    0.0009
            Y     0.0010    0.0137    0.0028    0.0011    0.0014   -0.0016
            Z     0.0043   -0.0019    0.0031   -0.0077   -0.0029   -0.0019
 AT.  26 CA X    -0.0028   -0.0015    0.0022    0.0009    0.0000   -0.0009
            Y     0.0010    0.0137   -0.0028   -0.0011    0.0014    0.0016
            Z    -0.0043    0.0019    0.0031   -0.0077    0.0029   -0.0019
 AT.  27 CA X     0.0028    0.0015    0.0022   -0.0009    0.0000   -0.0009
            Y     0.0010    0.0137    0.0028   -0.0011   -0.0014   -0.0016
            Z     0.0043   -0.0019    0.0031    0.0077    0.0029   -0.0019
 AT.  28 CA X     0.0028    0.0015   -0.0022    0.0009    0.0000    0.0009
            Y     0.0010    0.0137   -0.0028    0.0011   -0.0014    0.0016
            Z    -0.0043    0.0019    0.0031    0.0077   -0.0029   -0.0019
 AT.  29 CA X     0.0000    0.0072    0.0014   -0.0065    0.0000   -0.0081
            Y     0.0000   -0.0010   -0.0028   -0.0031    0.0000   -0.0003
            Z     0.0000    0.0040   -0.0019   -0.0056    0.0000   -0.0030
 AT.  30 CA X     0.0000    0.0072   -0.0014    0.0065    0.0000    0.0081
            Y     0.0000   -0.0010    0.0028    0.0031    0.0000    0.0003
            Z     0.0000   -0.0040   -0.0019   -0.0056    0.0000   -0.0030
 AT.  31 CA X     0.0000   -0.0072   -0.0014   -0.0065    0.0000    0.0081
            Y     0.0000   -0.0010   -0.0028    0.0031    0.0000   -0.0003
            Z     0.0000    0.0040   -0.0019    0.0056    0.0000   -0.0030
 AT.  32 CA X     0.0000   -0.0072    0.0014    0.0065    0.0000   -0.0081
            Y     0.0000   -0.0010    0.0028   -0.0031    0.0000    0.0003
            Z     0.0000   -0.0040   -0.0019    0.0056    0.0000   -0.0030
 AT.  33 CA X     0.0046    0.0029   -0.0067    0.0049    0.0064   -0.0050
            Y     0.0007    0.0013   -0.0052    0.0078   -0.0012    0.0052
            Z     0.0006   -0.0047    0.0095   -0.0127    0.0000   -0.0064
 AT.  34 CA X     0.0046    0.0029    0.0067   -0.0049    0.0064    0.0050
            Y     0.0007    0.0013    0.0052   -0.0078   -0.0012   -0.0052
            Z    -0.0006    0.0047    0.0095   -0.0127    0.0000   -0.0064
 AT.  35 CA X    -0.0046   -0.0029    0.0067    0.0049    0.0064    0.0050
            Y     0.0007    0.0013   -0.0052   -0.0078    0.0012    0.0052
            Z     0.0006   -0.0047    0.0095    0.0127    0.0000   -0.0064
 AT.  36 CA X    -0.0046   -0.0029   -0.0067   -0.0049    0.0064   -0.0050
            Y     0.0007    0.0013    0.0052    0.0078    0.0012   -0.0052
            Z    -0.0006    0.0047    0.0095    0.0127    0.0000   -0.0064
 AT.  37 CA X    -0.0046    0.0029   -0.0067    0.0049   -0.0064   -0.0050
            Y    -0.0007    0.0013   -0.0052    0.0078    0.0012    0.0052
            Z    -0.0006   -0.0047    0.0095   -0.0127    0.0000   -0.0064
 AT.  38 CA X    -0.0046    0.0029    0.0067   -0.0049   -0.0064    0.0050
            Y    -0.0007    0.0013    0.0052   -0.0078    0.0012   -0.0052
            Z     0.0006    0.0047    0.0095   -0.0127    0.0000   -0.0064
 AT.  39 CA X     0.0046   -0.0029    0.0067    0.0049   -0.0064    0.0050
            Y    -0.0007    0.0013   -0.0052   -0.0078   -0.0012    0.0052
            Z    -0.0006   -0.0047    0.0095    0.0127    0.0000   -0.0064
 AT.  40 CA X     0.0046   -0.0029   -0.0067   -0.0049   -0.0064   -0.0050
            Y    -0.0007    0.0013    0.0052    0.0078   -0.0012   -0.0052
            Z     0.0006    0.0047    0.0095    0.0127    0.0000   -0.0064
 AT.  41 CA X     0.0059    0.0028   -0.0067   -0.0036    0.0057   -0.0041
            Y     0.0066    0.0048    0.0060   -0.0026   -0.0034   -0.0018
            Z     0.0112    0.0027    0.0103   -0.0010   -0.0085   -0.0003
 AT.  42 CA X     0.0059    0.0028    0.0067    0.0036    0.0057    0.0041
            Y     0.0066    0.0048   -0.0060    0.0026   -0.0034    0.0018
            Z    -0.0112   -0.0027    0.0103   -0.0010    0.0085   -0.0003
 AT.  43 CA X    -0.0059   -0.0028    0.0067   -0.0036    0.0057    0.0041
            Y     0.0066    0.0048    0.0060    0.0026    0.0034   -0.0018
            Z     0.0112    0.0027    0.0103    0.0010    0.0085   -0.0003
 AT.  44 CA X    -0.0059   -0.0028   -0.0067    0.0036    0.0057   -0.0041
            Y     0.0066    0.0048   -0.0060   -0.0026    0.0034    0.0018
            Z    -0.0112   -0.0027    0.0103    0.0010   -0.0085   -0.0003
 AT.  45 CA X    -0.0059    0.0028   -0.0067   -0.0036   -0.0057   -0.0041
            Y    -0.0066    0.0048    0.0060   -0.0026    0.0034   -0.0018
            Z    -0.0112    0.0027    0.0103   -0.0010    0.0085   -0.0003
 AT.  46 CA X    -0.0059    0.0028    0.0067    0.0036   -0.0057    0.0041
            Y    -0.0066    0.0048   -0.0060    0.0026    0.0034    0.0018
            Z     0.0112   -0.0027    0.0103   -0.0010   -0.0085   -0.0003
 AT.  47 CA X     0.0059   -0.0028    0.0067   -0.0036   -0.0057    0.0041
            Y    -0.0066    0.0048    0.0060    0.0026   -0.0034   -0.0018
            Z    -0.0112    0.0027    0.0103    0.0010   -0.0085   -0.0003
 AT.  48 CA X     0.0059   -0.0028   -0.0067    0.0036   -0.0057   -0.0041
            Y    -0.0066    0.0048   -0.0060   -0.0026   -0.0034    0.0018
            Z     0.0112   -0.0027    0.0103    0.0010    0.0085   -0.0003
 AT.  49 CA X     0.0000    0.0000    0.0014    0.0000   -0.0010    0.0001
            Y     0.0026    0.0025    0.0000    0.0014    0.0000    0.0000
            Z     0.0000    0.0000   -0.0002    0.0000    0.0018   -0.0024
 AT.  50 CA X     0.0000    0.0000   -0.0014    0.0000   -0.0010   -0.0001
            Y     0.0026    0.0025    0.0000   -0.0014    0.0000    0.0000
            Z     0.0000    0.0000   -0.0002    0.0000   -0.0018   -0.0024
 AT.  51 CA X     0.0000    0.0000    0.0014    0.0000    0.0010    0.0001
            Y    -0.0026    0.0025    0.0000    0.0014    0.0000    0.0000
            Z     0.0000    0.0000   -0.0002    0.0000   -0.0018   -0.0024
 AT.  52 CA X     0.0000    0.0000   -0.0014    0.0000    0.0010   -0.0001
            Y    -0.0026    0.0025    0.0000   -0.0014    0.0000    0.0000
            Z     0.0000    0.0000   -0.0002    0.0000    0.0018   -0.0024
 AT.  53 O  X    -0.0031    0.0116    0.0048    0.0018   -0.0022    0.0018
            Y    -0.0032   -0.0119   -0.0012   -0.0027    0.0007    0.0008
            Z    -0.0227    0.0009   -0.0118    0.0077    0.0091    0.0052
 AT.  54 O  X    -0.0031    0.0116   -0.0048   -0.0018   -0.0022   -0.0018
            Y    -0.0032   -0.0119    0.0012    0.0027    0.0007   -0.0008
            Z     0.0227   -0.0009   -0.0118    0.0077   -0.0091    0.0052
 AT.  55 O  X     0.0031   -0.0116   -0.0048    0.0018   -0.0022   -0.0018
            Y    -0.0032   -0.0119   -0.0012    0.0027   -0.0007    0.0008
            Z    -0.0227    0.0009   -0.0118   -0.0077   -0.0091    0.0052
 AT.  56 O  X     0.0031   -0.0116    0.0048   -0.0018   -0.0022    0.0018
            Y    -0.0032   -0.0119    0.0012   -0.0027   -0.0007   -0.0008
            Z     0.0227   -0.0009   -0.0118   -0.0077    0.0091    0.0052
 AT.  57 O  X     0.0031    0.0116    0.0048    0.0018    0.0022    0.0018
            Y     0.0032   -0.0119   -0.0012   -0.0027   -0.0007    0.0008
            Z     0.0227    0.0009   -0.0118    0.0077   -0.0091    0.0052
 AT.  58 O  X     0.0031    0.0116   -0.0048   -0.0018    0.0022   -0.0018
            Y     0.0032   -0.0119    0.0012    0.0027   -0.0007   -0.0008
            Z    -0.0227   -0.0009   -0.0118    0.0077    0.0091    0.0052
 AT.  59 O  X    -0.0031   -0.0116   -0.0048    0.0018    0.0022   -0.0018
            Y     0.0032   -0.0119   -0.0012    0.0027    0.0007    0.0008
            Z     0.0227    0.0009   -0.0118   -0.0077    0.0091    0.0052
 AT.  60 O  X    -0.0031   -0.0116    0.0048   -0.0018    0.0022    0.0018
            Y     0.0032   -0.0119    0.0012   -0.0027    0.0007   -0.0008
            Z    -0.0227   -0.0009   -0.0118   -0.0077   -0.0091    0.0052
 AT.  61 O  X    -0.0140   -0.0112   -0.0106    0.0050    0.0066    0.0063
            Y    -0.0003   -0.0198   -0.0023   -0.0045    0.0029    0.0010
            Z    -0.0121    0.0055   -0.0054    0.0085    0.0048    0.0021
 AT.  62 O  X    -0.0140   -0.0112    0.0106   -0.0050    0.0066   -0.0063
            Y    -0.0003   -0.0198    0.0023    0.0045    0.0029   -0.0010
            Z     0.0121   -0.0055   -0.0054    0.0085   -0.0048    0.0021
 AT.  63 O  X     0.0140    0.0112    0.0106    0.0050    0.0066   -0.0063
            Y    -0.0003   -0.0198   -0.0023    0.0045   -0.0029    0.0010
            Z    -0.0121    0.0055   -0.0054   -0.0085   -0.0048    0.0021
 AT.  64 O  X     0.0140    0.0112   -0.0106   -0.0050    0.0066    0.0063
            Y    -0.0003   -0.0198    0.0023   -0.0045   -0.0029   -0.0010
            Z     0.0121   -0.0055   -0.0054   -0.0085    0.0048    0.0021
 AT.  65 O  X     0.0140   -0.0112   -0.0106    0.0050   -0.0066    0.0063
            Y     0.0003   -0.0198   -0.0023   -0.0045   -0.0029    0.0010
            Z     0.0121    0.0055   -0.0054    0.0085   -0.0048    0.0021
 AT.  66 O  X     0.0140   -0.0112    0.0106   -0.0050   -0.0066   -0.0063
            Y     0.0003   -0.0198    0.0023    0.0045   -0.0029   -0.0010
            Z    -0.0121   -0.0055   -0.0054    0.0085    0.0048    0.0021
 AT.  67 O  X    -0.0140    0.0112    0.0106    0.0050   -0.0066   -0.0063
            Y     0.0003   -0.0198   -0.0023    0.0045    0.0029    0.0010
            Z     0.0121    0.0055   -0.0054   -0.0085    0.0048    0.0021
 AT.  68 O  X    -0.0140    0.0112   -0.0106   -0.0050   -0.0066    0.0063
            Y     0.0003   -0.0198    0.0023   -0.0045    0.0029   -0.0010
            Z    -0.0121   -0.0055   -0.0054   -0.0085   -0.0048    0.0021
 AT.  69 O  X     0.0085   -0.0108    0.0087   -0.0069   -0.0062    0.0011
            Y    -0.0052   -0.0183   -0.0031   -0.0015    0.0005    0.0044
            Z    -0.0152   -0.0022   -0.0112    0.0103    0.0074    0.0052
 AT.  70 O  X     0.0085   -0.0108   -0.0087    0.0069   -0.0062   -0.0011
            Y    -0.0052   -0.0183    0.0031    0.0015    0.0005   -0.0044
            Z     0.0152    0.0022   -0.0112    0.0103   -0.0074    0.0052
 AT.  71 O  X    -0.0085    0.0108   -0.0087   -0.0069   -0.0062   -0.0011
            Y    -0.0052   -0.0183   -0.0031    0.0015   -0.0005    0.0044
            Z    -0.0152   -0.0022   -0.0112   -0.0103   -0.0074    0.0052
 AT.  72 O  X    -0.0085    0.0108    0.0087    0.0069   -0.0062    0.0011
            Y    -0.0052   -0.0183    0.0031   -0.0015   -0.0005   -0.0044
            Z     0.0152    0.0022   -0.0112   -0.0103    0.0074    0.0052
 AT.  73 O  X    -0.0085   -0.0108    0.0087   -0.0069    0.0062    0.0011
            Y     0.0052   -0.0183   -0.0031   -0.0015   -0.0005    0.0044
            Z     0.0152   -0.0022   -0.0112    0.0103   -0.0074    0.0052
 AT.  74 O  X    -0.0085   -0.0108   -0.0087    0.0069    0.0062   -0.0011
            Y     0.0052   -0.0183    0.0031    0.0015   -0.0005   -0.0044
            Z    -0.0152    0.0022   -0.0112    0.0103    0.0074    0.0052
 AT.  75 O  X     0.0085    0.0108   -0.0087   -0.0069    0.0062   -0.0011
            Y     0.0052   -0.0183   -0.0031    0.0015    0.0005    0.0044
            Z     0.0152   -0.0022   -0.0112   -0.0103    0.0074    0.0052
 AT.  76 O  X     0.0085    0.0108    0.0087    0.0069    0.0062    0.0011
            Y     0.0052   -0.0183    0.0031   -0.0015    0.0005   -0.0044
            Z    -0.0152    0.0022   -0.0112   -0.0103   -0.0074    0.0052
 AT.  77 O  X    -0.0039   -0.0026   -0.0007    0.0014   -0.0002    0.0036
            Y     0.0012    0.0213    0.0053    0.0034   -0.0020   -0.0030
            Z     0.0223   -0.0041    0.0069    0.0007   -0.0049   -0.0036
 AT.  78 O  X    -0.0039   -0.0026    0.0007   -0.0014   -0.0002   -0.0036
            Y     0.0012    0.0213   -0.0053   -0.0034   -0.0020    0.0030
            Z    -0.0223    0.0041    0.0069    0.0007    0.0049   -0.0036
 AT.  79 O  X     0.0039    0.0026    0.0007    0.0014   -0.0002   -0.0036
            Y     0.0012    0.0213    0.0053   -0.0034    0.0020   -0.0030
            Z     0.0223   -0.0041    0.0069   -0.0007    0.0049   -0.0036
 AT.  80 O  X     0.0039    0.0026   -0.0007   -0.0014   -0.0002    0.0036
            Y     0.0012    0.0213   -0.0053    0.0034    0.0020    0.0030
            Z    -0.0223    0.0041    0.0069   -0.0007   -0.0049   -0.0036
 AT.  81 O  X     0.0039   -0.0026   -0.0007    0.0014    0.0002    0.0036
            Y    -0.0012    0.0213    0.0053    0.0034    0.0020   -0.0030
            Z    -0.0223   -0.0041    0.0069    0.0007    0.0049   -0.0036
 AT.  82 O  X     0.0039   -0.0026    0.0007   -0.0014    0.0002   -0.0036
            Y    -0.0012    0.0213   -0.0053   -0.0034    0.0020    0.0030
            Z     0.0223    0.0041    0.0069    0.0007   -0.0049   -0.0036
 AT.  83 O  X    -0.0039    0.0026    0.0007    0.0014    0.0002   -0.0036
            Y    -0.0012    0.0213    0.0053   -0.0034   -0.0020   -0.0030
            Z    -0.0223   -0.0041    0.0069   -0.0007   -0.0049   -0.0036
 AT.  84 O  X    -0.0039    0.0026   -0.0007   -0.0014    0.0002    0.0036
            Y    -0.0012    0.0213   -0.0053    0.0034   -0.0020    0.0030
            Z     0.0223    0.0041    0.0069   -0.0007    0.0049   -0.0036
 AT.  85 O  X    -0.0042   -0.0020   -0.0006    0.0131   -0.0091    0.0129
            Y    -0.0028    0.0000   -0.0144    0.0093    0.0055    0.0037
            Z     0.0052   -0.0037    0.0026    0.0044   -0.0047    0.0046
 AT.  86 O  X    -0.0042   -0.0020    0.0006   -0.0131   -0.0091   -0.0129
            Y    -0.0028    0.0000    0.0144   -0.0093    0.0055   -0.0037
            Z    -0.0052    0.0037    0.0026    0.0044    0.0047    0.0046
 AT.  87 O  X     0.0042    0.0020    0.0006    0.0131   -0.0091   -0.0129
            Y    -0.0028    0.0000   -0.0144   -0.0093   -0.0055    0.0037
            Z     0.0052   -0.0037    0.0026   -0.0044    0.0047    0.0046
 AT.  88 O  X     0.0042    0.0020   -0.0006   -0.0131   -0.0091    0.0129
            Y    -0.0028    0.0000    0.0144    0.0093   -0.0055   -0.0037
            Z    -0.0052    0.0037    0.0026   -0.0044   -0.0047    0.0046
 AT.  89 O  X     0.0042   -0.0020   -0.0006    0.0131    0.0091    0.0129
            Y     0.0028    0.0000   -0.0144    0.0093   -0.0055    0.0037
            Z    -0.0052   -0.0037    0.0026    0.0044    0.0047    0.0046
 AT.  90 O  X     0.0042   -0.0020    0.0006   -0.0131    0.0091   -0.0129
            Y     0.0028    0.0000    0.0144   -0.0093   -0.0055   -0.0037
            Z     0.0052    0.0037    0.0026    0.0044   -0.0047    0.0046
 AT.  91 O  X    -0.0042    0.0020    0.0006    0.0131    0.0091   -0.0129
            Y     0.0028    0.0000   -0.0144   -0.0093    0.0055    0.0037
            Z    -0.0052   -0.0037    0.0026   -0.0044   -0.0047    0.0046
 AT.  92 O  X    -0.0042    0.0020   -0.0006   -0.0131    0.0091    0.0129
            Y     0.0028    0.0000    0.0144    0.0093    0.0055   -0.0037
            Z     0.0052    0.0037    0.0026   -0.0044    0.0047    0.0046
 AT.  93 O  X    -0.0051    0.0025    0.0131   -0.0154   -0.0069   -0.0002
            Y     0.0045   -0.0016   -0.0075    0.0091    0.0030    0.0019
            Z     0.0057   -0.0087    0.0014   -0.0097    0.0026   -0.0045
 AT.  94 O  X    -0.0051    0.0025   -0.0131    0.0154   -0.0069    0.0002
            Y     0.0045   -0.0016    0.0075   -0.0091    0.0030   -0.0019
            Z    -0.0057    0.0087    0.0014   -0.0097   -0.0026   -0.0045
 AT.  95 O  X     0.0051   -0.0025   -0.0131   -0.0154   -0.0069    0.0002
            Y     0.0045   -0.0016   -0.0075   -0.0091   -0.0030    0.0019
            Z     0.0057   -0.0087    0.0014    0.0097   -0.0026   -0.0045
 AT.  96 O  X     0.0051   -0.0025    0.0131    0.0154   -0.0069   -0.0002
            Y     0.0045   -0.0016    0.0075    0.0091   -0.0030   -0.0019
            Z    -0.0057    0.0087    0.0014    0.0097    0.0026   -0.0045
 AT.  97 O  X     0.0051    0.0025    0.0131   -0.0154    0.0069   -0.0002
            Y    -0.0045   -0.0016   -0.0075    0.0091   -0.0030    0.0019
            Z    -0.0057   -0.0087    0.0014   -0.0097   -0.0026   -0.0045
 AT.  98 O  X     0.0051    0.0025   -0.0131    0.0154    0.0069    0.0002
            Y    -0.0045   -0.0016    0.0075   -0.0091   -0.0030   -0.0019
            Z     0.0057    0.0087    0.0014   -0.0097    0.0026   -0.0045
 AT.  99 O  X    -0.0051   -0.0025   -0.0131   -0.0154    0.0069    0.0002
            Y    -0.0045   -0.0016   -0.0075   -0.0091    0.0030    0.0019
            Z    -0.0057   -0.0087    0.0014    0.0097    0.0026   -0.0045
 AT. 100 O  X    -0.0051   -0.0025    0.0131    0.0154    0.0069   -0.0002
            Y    -0.0045   -0.0016    0.0075    0.0091    0.0030   -0.0019
            Z     0.0057    0.0087    0.0014    0.0097   -0.0026   -0.0045
 AT. 101 O  X    -0.0036    0.0030   -0.0074    0.0061    0.0061   -0.0024
            Y     0.0058   -0.0053   -0.0030    0.0001    0.0017    0.0000
            Z     0.0047   -0.0024   -0.0031    0.0052   -0.0014    0.0038
 AT. 102 O  X    -0.0036    0.0030    0.0074   -0.0061    0.0061    0.0024
            Y     0.0058   -0.0053    0.0030   -0.0001    0.0017    0.0000
            Z    -0.0047    0.0024   -0.0031    0.0052    0.0014    0.0038
 AT. 103 O  X     0.0036   -0.0030    0.0074    0.0061    0.0061    0.0024
            Y     0.0058   -0.0053   -0.0030   -0.0001   -0.0017    0.0000
            Z     0.0047   -0.0024   -0.0031   -0.0052    0.0014    0.0038
 AT. 104 O  X     0.0036   -0.0030   -0.0074   -0.0061    0.0061   -0.0024
            Y     0.0058   -0.0053    0.0030    0.0001   -0.0017    0.0000
            Z    -0.0047    0.0024   -0.0031   -0.0052   -0.0014    0.0038
 AT. 105 O  X     0.0036    0.0030   -0.0074    0.0061   -0.0061   -0.0024
            Y    -0.0058   -0.0053   -0.0030    0.0001   -0.0017    0.0000
            Z    -0.0047   -0.0024   -0.0031    0.0052    0.0014    0.0038
 AT. 106 O  X     0.0036    0.0030    0.0074   -0.0061   -0.0061    0.0024
            Y    -0.0058   -0.0053    0.0030   -0.0001   -0.0017    0.0000
            Z     0.0047    0.0024   -0.0031    0.0052   -0.0014    0.0038
 AT. 107 O  X    -0.0036   -0.0030    0.0074    0.0061   -0.0061    0.0024
            Y    -0.0058   -0.0053   -0.0030   -0.0001    0.0017    0.0000
            Z    -0.0047   -0.0024   -0.0031   -0.0052   -0.0014    0.0038
 AT. 108 O  X    -0.0036   -0.0030   -0.0074   -0.0061   -0.0061   -0.0024
            Y    -0.0058   -0.0053    0.0030    0.0001    0.0017    0.0000
            Z     0.0047    0.0024   -0.0031   -0.0052    0.0014    0.0038
 AT. 109 O  X    -0.0031    0.0013    0.0035    0.0022   -0.0070    0.0067
            Y     0.0011   -0.0010    0.0105   -0.0178    0.0098   -0.0194
            Z    -0.0124    0.0133    0.0017    0.0180   -0.0205    0.0245
 AT. 110 O  X    -0.0031    0.0013   -0.0035   -0.0022   -0.0070   -0.0067
            Y     0.0011   -0.0010   -0.0105    0.0178    0.0098    0.0194
            Z     0.0124   -0.0133    0.0017    0.0180    0.0205    0.0245
 AT. 111 O  X     0.0031   -0.0013   -0.0035    0.0022   -0.0070   -0.0067
            Y     0.0011   -0.0010    0.0105    0.0178   -0.0098   -0.0194
            Z    -0.0124    0.0133    0.0017   -0.0180    0.0205    0.0245
 AT. 112 O  X     0.0031   -0.0013    0.0035   -0.0022   -0.0070    0.0067
            Y     0.0011   -0.0010   -0.0105   -0.0178   -0.0098    0.0194
            Z     0.0124   -0.0133    0.0017   -0.0180   -0.0205    0.0245
 AT. 113 O  X     0.0031    0.0013    0.0035    0.0022    0.0070    0.0067
            Y    -0.0011   -0.0010    0.0105   -0.0178   -0.0098   -0.0194
            Z     0.0124    0.0133    0.0017    0.0180    0.0205    0.0245
 AT. 114 O  X     0.0031    0.0013   -0.0035   -0.0022    0.0070   -0.0067
            Y    -0.0011   -0.0010   -0.0105    0.0178   -0.0098    0.0194
            Z    -0.0124   -0.0133    0.0017    0.0180   -0.0205    0.0245
 AT. 115 O  X    -0.0031   -0.0013   -0.0035    0.0022    0.0070   -0.0067
            Y    -0.0011   -0.0010    0.0105    0.0178    0.0098   -0.0194
            Z     0.0124    0.0133    0.0017   -0.0180   -0.0205    0.0245
 AT. 116 O  X    -0.0031   -0.0013    0.0035   -0.0022    0.0070    0.0067
            Y    -0.0011   -0.0010   -0.0105   -0.0178    0.0098    0.0194
            Z    -0.0124   -0.0133    0.0017   -0.0180    0.0205    0.0245
 AT. 117 O  X    -0.0004    0.0030   -0.0043   -0.0012    0.0043   -0.0030
            Y    -0.0030   -0.0019   -0.0017   -0.0066    0.0148   -0.0180
            Z     0.0015   -0.0036   -0.0179    0.0028    0.0177   -0.0098
 AT. 118 O  X    -0.0004    0.0030    0.0043    0.0012    0.0043    0.0030
            Y    -0.0030   -0.0019    0.0017    0.0066    0.0148    0.0180
            Z    -0.0015    0.0036   -0.0179    0.0028   -0.0177   -0.0098
 AT. 119 O  X     0.0004   -0.0030    0.0043   -0.0012    0.0043    0.0030
            Y    -0.0030   -0.0019   -0.0017    0.0066   -0.0148   -0.0180
            Z     0.0015   -0.0036   -0.0179   -0.0028   -0.0177   -0.0098
 AT. 120 O  X     0.0004   -0.0030   -0.0043    0.0012    0.0043   -0.0030
            Y    -0.0030   -0.0019    0.0017   -0.0066   -0.0148    0.0180
            Z    -0.0015    0.0036   -0.0179   -0.0028    0.0177   -0.0098
 AT. 121 O  X     0.0004    0.0030   -0.0043   -0.0012   -0.0043   -0.0030
            Y     0.0030   -0.0019   -0.0017   -0.0066   -0.0148   -0.0180
            Z    -0.0015   -0.0036   -0.0179    0.0028   -0.0177   -0.0098
 AT. 122 O  X     0.0004    0.0030    0.0043    0.0012   -0.0043    0.0030
            Y     0.0030   -0.0019    0.0017    0.0066   -0.0148    0.0180
            Z     0.0015    0.0036   -0.0179    0.0028    0.0177   -0.0098
 AT. 123 O  X    -0.0004   -0.0030    0.0043   -0.0012   -0.0043    0.0030
            Y     0.0030   -0.0019   -0.0017    0.0066    0.0148   -0.0180
            Z    -0.0015   -0.0036   -0.0179   -0.0028    0.0177   -0.0098
 AT. 124 O  X    -0.0004   -0.0030   -0.0043    0.0012   -0.0043   -0.0030
            Y     0.0030   -0.0019    0.0017   -0.0066    0.0148    0.0180
            Z     0.0015    0.0036   -0.0179   -0.0028   -0.0177   -0.0098

 FREQ(CM**-1)    335.99    338.21    341.40    341.83    342.75    342.92

 AT.   1 SI X     0.0019    0.0032    0.0014   -0.0003   -0.0024   -0.0012
            Y    -0.0022   -0.0006   -0.0009   -0.0029    0.0007    0.0015
            Z    -0.0030    0.0023    0.0000    0.0036    0.0004   -0.0029
 AT.   2 SI X     0.0019    0.0032   -0.0014    0.0003   -0.0024   -0.0012
            Y    -0.0022   -0.0006    0.0009    0.0029    0.0007    0.0015
            Z     0.0030   -0.0023    0.0000    0.0036   -0.0004    0.0029
 AT.   3 SI X    -0.0019    0.0032    0.0014    0.0003    0.0024   -0.0012
            Y    -0.0022    0.0006    0.0009   -0.0029    0.0007   -0.0015
            Z    -0.0030   -0.0023    0.0000    0.0036    0.0004    0.0029
 AT.   4 SI X    -0.0019    0.0032   -0.0014   -0.0003    0.0024   -0.0012
            Y    -0.0022    0.0006   -0.0009    0.0029    0.0007   -0.0015
            Z     0.0030    0.0023    0.0000    0.0036   -0.0004   -0.0029
 AT.   5 SI X    -0.0019    0.0032   -0.0014    0.0003   -0.0024    0.0012
            Y     0.0022   -0.0006    0.0009    0.0029    0.0007   -0.0015
            Z     0.0030    0.0023    0.0000   -0.0036    0.0004    0.0029
 AT.   6 SI X    -0.0019    0.0032    0.0014   -0.0003   -0.0024    0.0012
            Y     0.0022   -0.0006   -0.0009   -0.0029    0.0007   -0.0015
            Z    -0.0030   -0.0023    0.0000   -0.0036   -0.0004   -0.0029
 AT.   7 SI X     0.0019    0.0032   -0.0014   -0.0003    0.0024    0.0012
            Y     0.0022    0.0006   -0.0009    0.0029    0.0007    0.0015
            Z     0.0030   -0.0023    0.0000   -0.0036    0.0004   -0.0029
 AT.   8 SI X     0.0019    0.0032    0.0014    0.0003    0.0024    0.0012
            Y     0.0022    0.0006    0.0009   -0.0029    0.0007    0.0015
            Z    -0.0030    0.0023    0.0000   -0.0036   -0.0004    0.0029
 AT.   9 SI X    -0.0036    0.0027    0.0073   -0.0076   -0.0073   -0.0041
            Y     0.0022   -0.0072   -0.0031    0.0032    0.0034   -0.0011
            Z    -0.0070    0.0030    0.0018   -0.0012   -0.0023   -0.0038
 AT.  10 SI X    -0.0036    0.0027   -0.0073    0.0076   -0.0073   -0.0041
            Y     0.0022   -0.0072    0.0031   -0.0032    0.0034   -0.0011
            Z     0.0070   -0.0030    0.0018   -0.0012    0.0023    0.0038
 AT.  11 SI X     0.0036    0.0027    0.0073    0.0076    0.0073   -0.0041
            Y     0.0022    0.0072    0.0031    0.0032    0.0034    0.0011
            Z    -0.0070   -0.0030   -0.0018   -0.0012   -0.0023    0.0038
 AT.  12 SI X     0.0036    0.0027   -0.0073   -0.0076    0.0073   -0.0041
            Y     0.0022    0.0072   -0.0031   -0.0032    0.0034    0.0011
            Z     0.0070    0.0030   -0.0018   -0.0012    0.0023   -0.0038
 AT.  13 SI X     0.0036    0.0027   -0.0073    0.0076   -0.0073    0.0041
            Y    -0.0022   -0.0072    0.0031   -0.0032    0.0034    0.0011
            Z     0.0070    0.0030   -0.0018    0.0012   -0.0023    0.0038
 AT.  14 SI X     0.0036    0.0027    0.0073   -0.0076   -0.0073    0.0041
            Y    -0.0022   -0.0072   -0.0031    0.0032    0.0034    0.0011
            Z    -0.0070   -0.0030   -0.0018    0.0012    0.0023   -0.0038
 AT.  15 SI X    -0.0036    0.0027   -0.0073   -0.0076    0.0073    0.0041
            Y    -0.0022    0.0072   -0.0031   -0.0032    0.0034   -0.0011
            Z     0.0070   -0.0030    0.0018    0.0012   -0.0023   -0.0038
 AT.  16 SI X    -0.0036    0.0027    0.0073    0.0076    0.0073    0.0041
            Y    -0.0022    0.0072    0.0031    0.0032    0.0034   -0.0011
            Z    -0.0070    0.0030    0.0018    0.0012    0.0023    0.0038
 AT.  17 SI X     0.0000   -0.0169    0.0000    0.0154    0.0000    0.0011
            Y     0.0064    0.0000    0.0012    0.0000   -0.0024    0.0000
            Z     0.0000   -0.0103    0.0000    0.0134    0.0000   -0.0049
 AT.  18 SI X     0.0000   -0.0169    0.0000   -0.0154    0.0000    0.0011
            Y     0.0064    0.0000   -0.0012    0.0000   -0.0024    0.0000
            Z     0.0000    0.0103    0.0000    0.0134    0.0000    0.0049
 AT.  19 SI X     0.0000   -0.0169    0.0000   -0.0154    0.0000   -0.0011
            Y    -0.0064    0.0000   -0.0012    0.0000   -0.0024    0.0000
            Z     0.0000   -0.0103    0.0000   -0.0134    0.0000    0.0049
 AT.  20 SI X     0.0000   -0.0169    0.0000    0.0154    0.0000   -0.0011
            Y    -0.0064    0.0000    0.0012    0.0000   -0.0024    0.0000
            Z     0.0000    0.0103    0.0000   -0.0134    0.0000   -0.0049
 AT.  21 CA X    -0.0001   -0.0008    0.0002   -0.0001   -0.0009    0.0011
            Y    -0.0066    0.0001   -0.0006   -0.0010    0.0026    0.0019
            Z     0.0030   -0.0051    0.0023    0.0013   -0.0014   -0.0007
 AT.  22 CA X    -0.0001   -0.0008   -0.0002    0.0001   -0.0009    0.0011
            Y    -0.0066    0.0001    0.0006    0.0010    0.0026    0.0019
            Z    -0.0030    0.0051    0.0023    0.0013    0.0014    0.0007
 AT.  23 CA X     0.0001   -0.0008    0.0002    0.0001    0.0009    0.0011
            Y    -0.0066   -0.0001    0.0006   -0.0010    0.0026   -0.0019
            Z     0.0030    0.0051   -0.0023    0.0013   -0.0014    0.0007
 AT.  24 CA X     0.0001   -0.0008   -0.0002   -0.0001    0.0009    0.0011
            Y    -0.0066   -0.0001   -0.0006    0.0010    0.0026   -0.0019
            Z    -0.0030   -0.0051   -0.0023    0.0013    0.0014   -0.0007
 AT.  25 CA X     0.0001   -0.0008   -0.0002    0.0001   -0.0009   -0.0011
            Y     0.0066    0.0001    0.0006    0.0010    0.0026   -0.0019
            Z    -0.0030   -0.0051   -0.0023   -0.0013   -0.0014    0.0007
 AT.  26 CA X     0.0001   -0.0008    0.0002   -0.0001   -0.0009   -0.0011
            Y     0.0066    0.0001   -0.0006   -0.0010    0.0026   -0.0019
            Z     0.0030    0.0051   -0.0023   -0.0013    0.0014   -0.0007
 AT.  27 CA X    -0.0001   -0.0008   -0.0002   -0.0001    0.0009   -0.0011
            Y     0.0066   -0.0001   -0.0006    0.0010    0.0026    0.0019
            Z    -0.0030    0.0051    0.0023   -0.0013   -0.0014   -0.0007
 AT.  28 CA X    -0.0001   -0.0008    0.0002    0.0001    0.0009   -0.0011
            Y     0.0066   -0.0001    0.0006   -0.0010    0.0026    0.0019
            Z     0.0030   -0.0051    0.0023   -0.0013    0.0014    0.0007
 AT.  29 CA X     0.0000   -0.0112    0.0000    0.0000    0.0046    0.0000
            Y     0.0000   -0.0043    0.0000    0.0000   -0.0005    0.0000
            Z     0.0000   -0.0103    0.0000    0.0000   -0.0005    0.0000
 AT.  30 CA X     0.0000   -0.0112    0.0000    0.0000    0.0046    0.0000
            Y     0.0000   -0.0043    0.0000    0.0000   -0.0005    0.0000
            Z     0.0000    0.0103    0.0000    0.0000    0.0005    0.0000
 AT.  31 CA X     0.0000   -0.0112    0.0000    0.0000   -0.0046    0.0000
            Y     0.0000    0.0043    0.0000    0.0000   -0.0005    0.0000
            Z     0.0000    0.0103    0.0000    0.0000   -0.0005    0.0000
 AT.  32 CA X     0.0000   -0.0112    0.0000    0.0000   -0.0046    0.0000
            Y     0.0000    0.0043    0.0000    0.0000   -0.0005    0.0000
            Z     0.0000   -0.0103    0.0000    0.0000    0.0005    0.0000
 AT.  33 CA X    -0.0055   -0.0014   -0.0092    0.0107    0.0097    0.0042
            Y    -0.0081    0.0055    0.0033    0.0017   -0.0034   -0.0046
            Z     0.0137   -0.0058   -0.0016   -0.0061    0.0015    0.0034
 AT.  34 CA X    -0.0055   -0.0014    0.0092   -0.0107    0.0097    0.0042
            Y    -0.0081    0.0055   -0.0033   -0.0017   -0.0034   -0.0046
            Z    -0.0137    0.0058   -0.0016   -0.0061   -0.0015   -0.0034
 AT.  35 CA X     0.0055   -0.0014   -0.0092   -0.0107   -0.0097    0.0042
            Y    -0.0081   -0.0055   -0.0033    0.0017   -0.0034    0.0046
            Z     0.0137    0.0058    0.0016   -0.0061    0.0015   -0.0034
 AT.  36 CA X     0.0055   -0.0014    0.0092    0.0107   -0.0097    0.0042
            Y    -0.0081   -0.0055    0.0033   -0.0017   -0.0034    0.0046
            Z    -0.0137   -0.0058    0.0016   -0.0061   -0.0015    0.0034
 AT.  37 CA X     0.0055   -0.0014    0.0092   -0.0107    0.0097   -0.0042
            Y     0.0081    0.0055   -0.0033   -0.0017   -0.0034    0.0046
            Z    -0.0137   -0.0058    0.0016    0.0061    0.0015   -0.0034
 AT.  38 CA X     0.0055   -0.0014   -0.0092    0.0107    0.0097   -0.0042
            Y     0.0081    0.0055    0.0033    0.0017   -0.0034    0.0046
            Z     0.0137    0.0058    0.0016    0.0061   -0.0015    0.0034
 AT.  39 CA X    -0.0055   -0.0014    0.0092    0.0107   -0.0097   -0.0042
            Y     0.0081   -0.0055    0.0033   -0.0017   -0.0034   -0.0046
            Z    -0.0137    0.0058   -0.0016    0.0061    0.0015    0.0034
 AT.  40 CA X    -0.0055   -0.0014   -0.0092   -0.0107   -0.0097   -0.0042
            Y     0.0081   -0.0055   -0.0033    0.0017   -0.0034   -0.0046
            Z     0.0137   -0.0058   -0.0016    0.0061   -0.0015   -0.0034
 AT.  41 CA X     0.0023    0.0016    0.0059   -0.0068   -0.0055   -0.0050
            Y     0.0038   -0.0008    0.0001    0.0037    0.0001    0.0053
            Z    -0.0014   -0.0076   -0.0045    0.0015    0.0044    0.0045
 AT.  42 CA X     0.0023    0.0016   -0.0059    0.0068   -0.0055   -0.0050
            Y     0.0038   -0.0008   -0.0001   -0.0037    0.0001    0.0053
            Z     0.0014    0.0076   -0.0045    0.0015   -0.0044   -0.0045
 AT.  43 CA X    -0.0023    0.0016    0.0059    0.0068    0.0055   -0.0050
            Y     0.0038    0.0008   -0.0001    0.0037    0.0001   -0.0053
            Z    -0.0014    0.0076    0.0045    0.0015    0.0044   -0.0045
 AT.  44 CA X    -0.0023    0.0016   -0.0059   -0.0068    0.0055   -0.0050
            Y     0.0038    0.0008    0.0001   -0.0037    0.0001   -0.0053
            Z     0.0014   -0.0076    0.0045    0.0015   -0.0044    0.0045
 AT.  45 CA X    -0.0023    0.0016   -0.0059    0.0068   -0.0055    0.0050
            Y    -0.0038   -0.0008   -0.0001   -0.0037    0.0001   -0.0053
            Z     0.0014   -0.0076    0.0045   -0.0015    0.0044   -0.0045
 AT.  46 CA X    -0.0023    0.0016    0.0059   -0.0068   -0.0055    0.0050
            Y    -0.0038   -0.0008    0.0001    0.0037    0.0001   -0.0053
            Z    -0.0014    0.0076    0.0045   -0.0015   -0.0044    0.0045
 AT.  47 CA X     0.0023    0.0016   -0.0059   -0.0068    0.0055    0.0050
            Y    -0.0038    0.0008    0.0001   -0.0037    0.0001    0.0053
            Z     0.0014    0.0076   -0.0045   -0.0015    0.0044    0.0045
 AT.  48 CA X     0.0023    0.0016    0.0059    0.0068    0.0055    0.0050
            Y    -0.0038    0.0008   -0.0001    0.0037    0.0001    0.0053
            Z    -0.0014   -0.0076   -0.0045   -0.0015   -0.0044   -0.0045
 AT.  49 CA X     0.0000   -0.0023    0.0000    0.0050    0.0000    0.0062
            Y     0.0012    0.0000    0.0019    0.0000   -0.0010    0.0000
            Z     0.0000    0.0012    0.0000    0.0055    0.0000    0.0056
 AT.  50 CA X     0.0000   -0.0023    0.0000   -0.0050    0.0000    0.0062
            Y     0.0012    0.0000   -0.0019    0.0000   -0.0010    0.0000
            Z     0.0000   -0.0012    0.0000    0.0055    0.0000   -0.0056
 AT.  51 CA X     0.0000   -0.0023    0.0000   -0.0050    0.0000   -0.0062
            Y    -0.0012    0.0000   -0.0019    0.0000   -0.0010    0.0000
            Z     0.0000    0.0012    0.0000   -0.0055    0.0000   -0.0056
 AT.  52 CA X     0.0000   -0.0023    0.0000    0.0050    0.0000   -0.0062
            Y    -0.0012    0.0000    0.0019    0.0000   -0.0010    0.0000
            Z     0.0000   -0.0012    0.0000   -0.0055    0.0000    0.0056
 AT.  53 O  X     0.0013    0.0019    0.0015    0.0002    0.0004   -0.0009
            Y    -0.0016    0.0007   -0.0006   -0.0027   -0.0011    0.0009
            Z     0.0040    0.0097    0.0020    0.0042    0.0002   -0.0052
 AT.  54 O  X     0.0013    0.0019   -0.0015   -0.0002    0.0004   -0.0009
            Y    -0.0016    0.0007    0.0006    0.0027   -0.0011    0.0009
            Z    -0.0040   -0.0097    0.0020    0.0042   -0.0002    0.0052
 AT.  55 O  X    -0.0013    0.0019    0.0015   -0.0002   -0.0004   -0.0009
            Y    -0.0016   -0.0007    0.0006   -0.0027   -0.0011   -0.0009
            Z     0.0040   -0.0097   -0.0020    0.0042    0.0002    0.0052
 AT.  56 O  X    -0.0013    0.0019   -0.0015    0.0002   -0.0004   -0.0009
            Y    -0.0016   -0.0007   -0.0006    0.0027   -0.0011   -0.0009
            Z    -0.0040    0.0097   -0.0020    0.0042   -0.0002   -0.0052
 AT.  57 O  X    -0.0013    0.0019   -0.0015   -0.0002    0.0004    0.0009
            Y     0.0016    0.0007    0.0006    0.0027   -0.0011   -0.0009
            Z    -0.0040    0.0097   -0.0020   -0.0042    0.0002    0.0052
 AT.  58 O  X    -0.0013    0.0019    0.0015    0.0002    0.0004    0.0009
            Y     0.0016    0.0007   -0.0006   -0.0027   -0.0011   -0.0009
            Z     0.0040   -0.0097   -0.0020   -0.0042   -0.0002   -0.0052
 AT.  59 O  X     0.0013    0.0019   -0.0015    0.0002   -0.0004    0.0009
            Y     0.0016   -0.0007   -0.0006    0.0027   -0.0011    0.0009
            Z    -0.0040   -0.0097    0.0020   -0.0042    0.0002   -0.0052
 AT.  60 O  X     0.0013    0.0019    0.0015   -0.0002   -0.0004    0.0009
            Y     0.0016   -0.0007    0.0006   -0.0027   -0.0011    0.0009
            Z     0.0040    0.0097    0.0020   -0.0042   -0.0002    0.0052
 AT.  61 O  X     0.0070    0.0132    0.0028    0.0013   -0.0049   -0.0016
            Y     0.0026   -0.0003   -0.0020    0.0003   -0.0015   -0.0001
            Z    -0.0023    0.0077    0.0015    0.0031    0.0006   -0.0019
 AT.  62 O  X     0.0070    0.0132   -0.0028   -0.0013   -0.0049   -0.0016
            Y     0.0026   -0.0003    0.0020   -0.0003   -0.0015   -0.0001
            Z     0.0023   -0.0077    0.0015    0.0031   -0.0006    0.0019
 AT.  63 O  X    -0.0070    0.0132    0.0028   -0.0013    0.0049   -0.0016
            Y     0.0026    0.0003    0.0020    0.0003   -0.0015    0.0001
            Z    -0.0023   -0.0077   -0.0015    0.0031    0.0006    0.0019
 AT.  64 O  X    -0.0070    0.0132   -0.0028    0.0013    0.0049   -0.0016
            Y     0.0026    0.0003   -0.0020   -0.0003   -0.0015    0.0001
            Z     0.0023    0.0077   -0.0015    0.0031   -0.0006   -0.0019
 AT.  65 O  X    -0.0070    0.0132   -0.0028   -0.0013   -0.0049    0.0016
            Y    -0.0026   -0.0003    0.0020   -0.0003   -0.0015    0.0001
            Z     0.0023    0.0077   -0.0015   -0.0031    0.0006    0.0019
 AT.  66 O  X    -0.0070    0.0132    0.0028    0.0013   -0.0049    0.0016
            Y    -0.0026   -0.0003   -0.0020    0.0003   -0.0015    0.0001
            Z    -0.0023   -0.0077   -0.0015   -0.0031   -0.0006   -0.0019
 AT.  67 O  X     0.0070    0.0132   -0.0028    0.0013    0.0049    0.0016
            Y    -0.0026    0.0003   -0.0020   -0.0003   -0.0015   -0.0001
            Z     0.0023   -0.0077    0.0015   -0.0031    0.0006   -0.0019
 AT.  68 O  X     0.0070    0.0132    0.0028   -0.0013    0.0049    0.0016
            Y    -0.0026    0.0003    0.0020    0.0003   -0.0015   -0.0001
            Z    -0.0023    0.0077    0.0015   -0.0031   -0.0006    0.0019
 AT.  69 O  X     0.0027   -0.0043    0.0013   -0.0069   -0.0049    0.0000
            Y     0.0015    0.0003    0.0054   -0.0051   -0.0074   -0.0055
            Z    -0.0029    0.0077    0.0040    0.0055   -0.0033   -0.0074
 AT.  70 O  X     0.0027   -0.0043   -0.0013    0.0069   -0.0049    0.0000
            Y     0.0015    0.0003   -0.0054    0.0051   -0.0074   -0.0055
            Z     0.0029   -0.0077    0.0040    0.0055    0.0033    0.0074
 AT.  71 O  X    -0.0027   -0.0043    0.0013    0.0069    0.0049    0.0000
            Y     0.0015   -0.0003   -0.0054   -0.0051   -0.0074    0.0055
            Z    -0.0029   -0.0077   -0.0040    0.0055   -0.0033    0.0074
 AT.  72 O  X    -0.0027   -0.0043   -0.0013   -0.0069    0.0049    0.0000
            Y     0.0015   -0.0003    0.0054    0.0051   -0.0074    0.0055
            Z     0.0029    0.0077   -0.0040    0.0055    0.0033   -0.0074
 AT.  73 O  X    -0.0027   -0.0043   -0.0013    0.0069   -0.0049    0.0000
            Y    -0.0015    0.0003   -0.0054    0.0051   -0.0074    0.0055
            Z     0.0029    0.0077   -0.0040   -0.0055   -0.0033    0.0074
 AT.  74 O  X    -0.0027   -0.0043    0.0013   -0.0069   -0.0049    0.0000
            Y    -0.0015    0.0003    0.0054   -0.0051   -0.0074    0.0055
            Z    -0.0029   -0.0077   -0.0040   -0.0055    0.0033   -0.0074
 AT.  75 O  X     0.0027   -0.0043   -0.0013   -0.0069    0.0049    0.0000
            Y    -0.0015   -0.0003    0.0054    0.0051   -0.0074   -0.0055
            Z     0.0029   -0.0077    0.0040   -0.0055   -0.0033   -0.0074
 AT.  76 O  X     0.0027   -0.0043    0.0013    0.0069    0.0049    0.0000
            Y    -0.0015   -0.0003   -0.0054   -0.0051   -0.0074   -0.0055
            Z    -0.0029    0.0077    0.0040   -0.0055    0.0033    0.0074
 AT.  77 O  X     0.0027    0.0044    0.0021   -0.0008   -0.0034   -0.0016
            Y    -0.0019    0.0046   -0.0032    0.0003    0.0058    0.0052
            Z    -0.0065   -0.0011   -0.0080   -0.0003    0.0044    0.0088
 AT.  78 O  X     0.0027    0.0044   -0.0021    0.0008   -0.0034   -0.0016
            Y    -0.0019    0.0046    0.0032   -0.0003    0.0058    0.0052
            Z     0.0065    0.0011   -0.0080   -0.0003   -0.0044   -0.0088
 AT.  79 O  X    -0.0027    0.0044    0.0021    0.0008    0.0034   -0.0016
            Y    -0.0019   -0.0046    0.0032    0.0003    0.0058   -0.0052
            Z    -0.0065    0.0011    0.0080   -0.0003    0.0044   -0.0088
 AT.  80 O  X    -0.0027    0.0044   -0.0021   -0.0008    0.0034   -0.0016
            Y    -0.0019   -0.0046   -0.0032   -0.0003    0.0058   -0.0052
            Z     0.0065   -0.0011    0.0080   -0.0003   -0.0044    0.0088
 AT.  81 O  X    -0.0027    0.0044   -0.0021    0.0008   -0.0034    0.0016
            Y     0.0019    0.0046    0.0032   -0.0003    0.0058   -0.0052
            Z     0.0065   -0.0011    0.0080    0.0003    0.0044   -0.0088
 AT.  82 O  X    -0.0027    0.0044    0.0021   -0.0008   -0.0034    0.0016
            Y     0.0019    0.0046   -0.0032    0.0003    0.0058   -0.0052
            Z    -0.0065    0.0011    0.0080    0.0003   -0.0044    0.0088
 AT.  83 O  X     0.0027    0.0044   -0.0021   -0.0008    0.0034    0.0016
            Y     0.0019   -0.0046   -0.0032   -0.0003    0.0058    0.0052
            Z     0.0065    0.0011   -0.0080    0.0003    0.0044    0.0088
 AT.  84 O  X     0.0027    0.0044    0.0021    0.0008    0.0034    0.0016
            Y     0.0019   -0.0046    0.0032    0.0003    0.0058    0.0052
            Z    -0.0065   -0.0011   -0.0080    0.0003   -0.0044   -0.0088
 AT.  85 O  X    -0.0123    0.0092    0.0137   -0.0183   -0.0135   -0.0148
            Y    -0.0100   -0.0025    0.0123    0.0004   -0.0124   -0.0156
            Z    -0.0040    0.0034   -0.0058   -0.0049    0.0055    0.0006
 AT.  86 O  X    -0.0123    0.0092   -0.0137    0.0183   -0.0135   -0.0148
            Y    -0.0100   -0.0025   -0.0123   -0.0004   -0.0124   -0.0156
            Z     0.0040   -0.0034   -0.0058   -0.0049   -0.0055   -0.0006
 AT.  87 O  X     0.0123    0.0092    0.0137    0.0183    0.0135   -0.0148
            Y    -0.0100    0.0025   -0.0123    0.0004   -0.0124    0.0156
            Z    -0.0040   -0.0034    0.0058   -0.0049    0.0055   -0.0006
 AT.  88 O  X     0.0123    0.0092   -0.0137   -0.0183    0.0135   -0.0148
            Y    -0.0100    0.0025    0.0123   -0.0004   -0.0124    0.0156
            Z     0.0040    0.0034    0.0058   -0.0049   -0.0055    0.0006
 AT.  89 O  X     0.0123    0.0092   -0.0137    0.0183   -0.0135    0.0148
            Y     0.0100   -0.0025   -0.0123   -0.0004   -0.0124    0.0156
            Z     0.0040    0.0034    0.0058    0.0049    0.0055   -0.0006
 AT.  90 O  X     0.0123    0.0092    0.0137   -0.0183   -0.0135    0.0148
            Y     0.0100   -0.0025    0.0123    0.0004   -0.0124    0.0156
            Z    -0.0040   -0.0034    0.0058    0.0049   -0.0055    0.0006
 AT.  91 O  X    -0.0123    0.0092   -0.0137   -0.0183    0.0135    0.0148
            Y     0.0100    0.0025    0.0123   -0.0004   -0.0124   -0.0156
            Z     0.0040   -0.0034   -0.0058    0.0049    0.0055    0.0006
 AT.  92 O  X    -0.0123    0.0092    0.0137    0.0183    0.0135    0.0148
            Y     0.0100    0.0025   -0.0123    0.0004   -0.0124   -0.0156
            Z    -0.0040    0.0034   -0.0058    0.0049   -0.0055   -0.0006
 AT.  93 O  X     0.0147   -0.0001   -0.0028    0.0025    0.0032    0.0116
            Y    -0.0083   -0.0045    0.0039   -0.0032   -0.0037   -0.0114
            Z     0.0137    0.0036   -0.0192    0.0153    0.0172    0.0220
 AT.  94 O  X     0.0147   -0.0001    0.0028   -0.0025    0.0032    0.0116
            Y    -0.0083   -0.0045   -0.0039    0.0032   -0.0037   -0.0114
            Z    -0.0137   -0.0036   -0.0192    0.0153   -0.0172   -0.0220
 AT.  95 O  X    -0.0147   -0.0001   -0.0028   -0.0025   -0.0032    0.0116
            Y    -0.0083    0.0045   -0.0039   -0.0032   -0.0037    0.0114
            Z     0.0137   -0.0036    0.0192    0.0153    0.0172   -0.0220
 AT.  96 O  X    -0.0147   -0.0001    0.0028    0.0025   -0.0032    0.0116
            Y    -0.0083    0.0045    0.0039    0.0032   -0.0037    0.0114
            Z    -0.0137    0.0036    0.0192    0.0153   -0.0172    0.0220
 AT.  97 O  X    -0.0147   -0.0001    0.0028   -0.0025    0.0032   -0.0116
            Y     0.0083   -0.0045   -0.0039    0.0032   -0.0037    0.0114
            Z    -0.0137    0.0036    0.0192   -0.0153    0.0172   -0.0220
 AT.  98 O  X    -0.0147   -0.0001   -0.0028    0.0025    0.0032   -0.0116
            Y     0.0083   -0.0045    0.0039   -0.0032   -0.0037    0.0114
            Z     0.0137   -0.0036    0.0192   -0.0153   -0.0172    0.0220
 AT.  99 O  X     0.0147   -0.0001    0.0028    0.0025   -0.0032   -0.0116
            Y     0.0083    0.0045    0.0039    0.0032   -0.0037   -0.0114
            Z    -0.0137   -0.0036   -0.0192   -0.0153    0.0172    0.0220
 AT. 100 O  X     0.0147   -0.0001   -0.0028   -0.0025   -0.0032   -0.0116
            Y     0.0083    0.0045   -0.0039   -0.0032   -0.0037   -0.0114
            Z     0.0137    0.0036   -0.0192   -0.0153   -0.0172   -0.0220
 AT. 101 O  X    -0.0065   -0.0055    0.0110   -0.0003   -0.0114   -0.0095
            Y     0.0007   -0.0017   -0.0060   -0.0010    0.0048    0.0014
            Z    -0.0065    0.0029   -0.0032   -0.0007    0.0024   -0.0021
 AT. 102 O  X    -0.0065   -0.0055   -0.0110    0.0003   -0.0114   -0.0095
            Y     0.0007   -0.0017    0.0060    0.0010    0.0048    0.0014
            Z     0.0065   -0.0029   -0.0032   -0.0007   -0.0024    0.0021
 AT. 103 O  X     0.0065   -0.0055    0.0110    0.0003    0.0114   -0.0095
            Y     0.0007    0.0017    0.0060   -0.0010    0.0048   -0.0014
            Z    -0.0065   -0.0029    0.0032   -0.0007    0.0024    0.0021
 AT. 104 O  X     0.0065   -0.0055   -0.0110   -0.0003    0.0114   -0.0095
            Y     0.0007    0.0017   -0.0060    0.0010    0.0048   -0.0014
            Z     0.0065    0.0029    0.0032   -0.0007   -0.0024   -0.0021
 AT. 105 O  X     0.0065   -0.0055   -0.0110    0.0003   -0.0114    0.0095
            Y    -0.0007   -0.0017    0.0060    0.0010    0.0048   -0.0014
            Z     0.0065    0.0029    0.0032    0.0007    0.0024    0.0021
 AT. 106 O  X     0.0065   -0.0055    0.0110   -0.0003   -0.0114    0.0095
            Y    -0.0007   -0.0017   -0.0060   -0.0010    0.0048   -0.0014
            Z    -0.0065   -0.0029    0.0032    0.0007   -0.0024   -0.0021
 AT. 107 O  X    -0.0065   -0.0055   -0.0110   -0.0003    0.0114    0.0095
            Y    -0.0007    0.0017   -0.0060    0.0010    0.0048    0.0014
            Z     0.0065   -0.0029   -0.0032    0.0007    0.0024   -0.0021
 AT. 108 O  X    -0.0065   -0.0055    0.0110    0.0003    0.0114    0.0095
            Y    -0.0007    0.0017    0.0060   -0.0010    0.0048    0.0014
            Z    -0.0065    0.0029   -0.0032    0.0007   -0.0024    0.0021
 AT. 109 O  X    -0.0036    0.0024    0.0095   -0.0089   -0.0095   -0.0056
            Y     0.0181   -0.0149   -0.0126    0.0039    0.0143    0.0097
            Z    -0.0182    0.0175    0.0299   -0.0220   -0.0285   -0.0201
 AT. 110 O  X    -0.0036    0.0024   -0.0095    0.0089   -0.0095   -0.0056
            Y     0.0181   -0.0149    0.0126   -0.0039    0.0143    0.0097
            Z     0.0182   -0.0175    0.0299   -0.0220    0.0285    0.0201
 AT. 111 O  X     0.0036    0.0024    0.0095    0.0089    0.0095   -0.0056
            Y     0.0181    0.0149    0.0126    0.0039    0.0143   -0.0097
            Z    -0.0182   -0.0175   -0.0299   -0.0220   -0.0285    0.0201
 AT. 112 O  X     0.0036    0.0024   -0.0095   -0.0089    0.0095   -0.0056
            Y     0.0181    0.0149   -0.0126   -0.0039    0.0143   -0.0097
            Z     0.0182    0.0175   -0.0299   -0.0220    0.0285   -0.0201
 AT. 113 O  X     0.0036    0.0024   -0.0095    0.0089   -0.0095    0.0056
            Y    -0.0181   -0.0149    0.0126   -0.0039    0.0143   -0.0097
            Z     0.0182    0.0175   -0.0299    0.0220   -0.0285    0.0201
 AT. 114 O  X     0.0036    0.0024    0.0095   -0.0089   -0.0095    0.0056
            Y    -0.0181   -0.0149   -0.0126    0.0039    0.0143   -0.0097
            Z    -0.0182   -0.0175   -0.0299    0.0220    0.0285   -0.0201
 AT. 115 O  X    -0.0036    0.0024   -0.0095   -0.0089    0.0095    0.0056
            Y    -0.0181    0.0149   -0.0126   -0.0039    0.0143    0.0097
            Z     0.0182   -0.0175    0.0299    0.0220   -0.0285   -0.0201
 AT. 116 O  X    -0.0036    0.0024    0.0095    0.0089    0.0095    0.0056
            Y    -0.0181    0.0149    0.0126    0.0039    0.0143    0.0097
            Z    -0.0182    0.0175    0.0299    0.0220    0.0285    0.0201
 AT. 117 O  X     0.0031    0.0020   -0.0027    0.0100    0.0036    0.0076
            Y     0.0075   -0.0134   -0.0007    0.0058   -0.0006   -0.0004
            Z    -0.0035   -0.0155    0.0030    0.0121   -0.0040   -0.0105
 AT. 118 O  X     0.0031    0.0020    0.0027   -0.0100    0.0036    0.0076
            Y     0.0075   -0.0134    0.0007   -0.0058   -0.0006   -0.0004
            Z     0.0035    0.0155    0.0030    0.0121    0.0040    0.0105
 AT. 119 O  X    -0.0031    0.0020   -0.0027   -0.0100   -0.0036    0.0076
            Y     0.0075    0.0134    0.0007    0.0058   -0.0006    0.0004
            Z    -0.0035    0.0155   -0.0030    0.0121   -0.0040    0.0105
 AT. 120 O  X    -0.0031    0.0020    0.0027    0.0100   -0.0036    0.0076
            Y     0.0075    0.0134   -0.0007   -0.0058   -0.0006    0.0004
            Z     0.0035   -0.0155   -0.0030    0.0121    0.0040   -0.0105
 AT. 121 O  X    -0.0031    0.0020    0.0027   -0.0100    0.0036   -0.0076
            Y    -0.0075   -0.0134    0.0007   -0.0058   -0.0006    0.0004
            Z     0.0035   -0.0155   -0.0030   -0.0121   -0.0040    0.0105
 AT. 122 O  X    -0.0031    0.0020   -0.0027    0.0100    0.0036   -0.0076
            Y    -0.0075   -0.0134   -0.0007    0.0058   -0.0006    0.0004
            Z    -0.0035    0.0155   -0.0030   -0.0121    0.0040   -0.0105
 AT. 123 O  X     0.0031    0.0020    0.0027    0.0100   -0.0036   -0.0076
            Y    -0.0075    0.0134   -0.0007   -0.0058   -0.0006   -0.0004
            Z     0.0035    0.0155    0.0030   -0.0121   -0.0040   -0.0105
 AT. 124 O  X     0.0031    0.0020   -0.0027   -0.0100   -0.0036   -0.0076
            Y    -0.0075    0.0134    0.0007    0.0058   -0.0006   -0.0004
            Z    -0.0035   -0.0155    0.0030   -0.0121    0.0040    0.0105

 FREQ(CM**-1)    345.36    351.57    351.94    352.08    352.28    353.00

 AT.   1 SI X     0.0021   -0.0008   -0.0027   -0.0028    0.0005   -0.0006
            Y    -0.0049    0.0002    0.0027   -0.0014    0.0019    0.0016
            Z     0.0062    0.0038   -0.0036    0.0014   -0.0064    0.0014
 AT.   2 SI X     0.0021    0.0008    0.0027   -0.0028   -0.0005    0.0006
            Y    -0.0049   -0.0002   -0.0027   -0.0014   -0.0019   -0.0016
            Z    -0.0062    0.0038   -0.0036   -0.0014   -0.0064    0.0014
 AT.   3 SI X     0.0021    0.0008   -0.0027    0.0028    0.0005    0.0006
            Y     0.0049    0.0002   -0.0027   -0.0014   -0.0019    0.0016
            Z    -0.0062    0.0038    0.0036    0.0014    0.0064    0.0014
 AT.   4 SI X     0.0021   -0.0008    0.0027    0.0028   -0.0005   -0.0006
            Y     0.0049   -0.0002    0.0027   -0.0014    0.0019   -0.0016
            Z     0.0062    0.0038    0.0036   -0.0014    0.0064    0.0014
 AT.   5 SI X     0.0021   -0.0008   -0.0027   -0.0028   -0.0005    0.0006
            Y    -0.0049    0.0002    0.0027   -0.0014   -0.0019   -0.0016
            Z     0.0062    0.0038   -0.0036    0.0014    0.0064   -0.0014
 AT.   6 SI X     0.0021    0.0008    0.0027   -0.0028    0.0005   -0.0006
            Y    -0.0049   -0.0002   -0.0027   -0.0014    0.0019    0.0016
            Z    -0.0062    0.0038   -0.0036   -0.0014    0.0064   -0.0014
 AT.   7 SI X     0.0021    0.0008   -0.0027    0.0028   -0.0005   -0.0006
            Y     0.0049    0.0002   -0.0027   -0.0014    0.0019   -0.0016
            Z    -0.0062    0.0038    0.0036    0.0014   -0.0064   -0.0014
 AT.   8 SI X     0.0021   -0.0008    0.0027    0.0028    0.0005    0.0006
            Y     0.0049   -0.0002    0.0027   -0.0014   -0.0019    0.0016
            Z     0.0062    0.0038    0.0036   -0.0014   -0.0064   -0.0014
 AT.   9 SI X    -0.0066   -0.0035    0.0077   -0.0012    0.0016    0.0008
            Y     0.0014   -0.0014   -0.0039    0.0065   -0.0070   -0.0096
            Z    -0.0016    0.0023   -0.0003    0.0074   -0.0074    0.0053
 AT.  10 SI X    -0.0066    0.0035   -0.0077   -0.0012   -0.0016   -0.0008
            Y     0.0014    0.0014    0.0039    0.0065    0.0070    0.0096
            Z     0.0016    0.0023   -0.0003   -0.0074   -0.0074    0.0053
 AT.  11 SI X    -0.0066    0.0035    0.0077    0.0012    0.0016   -0.0008
            Y    -0.0014   -0.0014    0.0039    0.0065    0.0070   -0.0096
            Z     0.0016    0.0023    0.0003    0.0074    0.0074    0.0053
 AT.  12 SI X    -0.0066   -0.0035   -0.0077    0.0012   -0.0016    0.0008
            Y    -0.0014    0.0014   -0.0039    0.0065   -0.0070    0.0096
            Z    -0.0016    0.0023    0.0003   -0.0074    0.0074    0.0053
 AT.  13 SI X    -0.0066   -0.0035    0.0077   -0.0012   -0.0016   -0.0008
            Y     0.0014   -0.0014   -0.0039    0.0065    0.0070    0.0096
            Z    -0.0016    0.0023   -0.0003    0.0074    0.0074   -0.0053
 AT.  14 SI X    -0.0066    0.0035   -0.0077   -0.0012    0.0016    0.0008
            Y     0.0014    0.0014    0.0039    0.0065   -0.0070   -0.0096
            Z     0.0016    0.0023   -0.0003   -0.0074    0.0074   -0.0053
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            Y    -0.0014   -0.0014    0.0039    0.0065   -0.0070    0.0096
            Z     0.0016    0.0023    0.0003    0.0074   -0.0074   -0.0053
 AT.  16 SI X    -0.0066   -0.0035   -0.0077    0.0012    0.0016   -0.0008
            Y    -0.0014    0.0014   -0.0039    0.0065    0.0070   -0.0096
            Z    -0.0016    0.0023    0.0003   -0.0074   -0.0074   -0.0053
 AT.  17 SI X     0.0113   -0.0025    0.0000    0.0000    0.0000   -0.0128
            Y     0.0000    0.0000   -0.0006   -0.0140    0.0159    0.0000
            Z     0.0111   -0.0063    0.0000    0.0000    0.0000   -0.0028
 AT.  18 SI X     0.0113    0.0025    0.0000    0.0000    0.0000    0.0128
            Y     0.0000    0.0000    0.0006   -0.0140   -0.0159    0.0000
            Z    -0.0111   -0.0063    0.0000    0.0000    0.0000   -0.0028
 AT.  19 SI X     0.0113   -0.0025    0.0000    0.0000    0.0000    0.0128
            Y     0.0000    0.0000   -0.0006   -0.0140   -0.0159    0.0000
            Z     0.0111   -0.0063    0.0000    0.0000    0.0000    0.0028
 AT.  20 SI X     0.0113    0.0025    0.0000    0.0000    0.0000   -0.0128
            Y     0.0000    0.0000    0.0006   -0.0140    0.0159    0.0000
            Z    -0.0111   -0.0063    0.0000    0.0000    0.0000    0.0028
 AT.  21 CA X     0.0015    0.0013   -0.0007   -0.0031    0.0031    0.0010
            Y     0.0009    0.0018   -0.0001   -0.0037    0.0023    0.0073
            Z    -0.0051   -0.0029    0.0060   -0.0040    0.0033   -0.0023
 AT.  22 CA X     0.0015   -0.0013    0.0007   -0.0031   -0.0031   -0.0010
            Y     0.0009   -0.0018    0.0001   -0.0037   -0.0023   -0.0073
            Z     0.0051   -0.0029    0.0060    0.0040    0.0033   -0.0023
 AT.  23 CA X     0.0015   -0.0013   -0.0007    0.0031    0.0031   -0.0010
            Y    -0.0009    0.0018    0.0001   -0.0037   -0.0023    0.0073
            Z     0.0051   -0.0029   -0.0060   -0.0040   -0.0033   -0.0023
 AT.  24 CA X     0.0015    0.0013    0.0007    0.0031   -0.0031    0.0010
            Y    -0.0009   -0.0018   -0.0001   -0.0037    0.0023   -0.0073
            Z    -0.0051   -0.0029   -0.0060    0.0040   -0.0033   -0.0023
 AT.  25 CA X     0.0015    0.0013   -0.0007   -0.0031   -0.0031   -0.0010
            Y     0.0009    0.0018   -0.0001   -0.0037   -0.0023   -0.0073
            Z    -0.0051   -0.0029    0.0060   -0.0040   -0.0033    0.0023
 AT.  26 CA X     0.0015   -0.0013    0.0007   -0.0031    0.0031    0.0010
            Y     0.0009   -0.0018    0.0001   -0.0037    0.0023    0.0073
            Z     0.0051   -0.0029    0.0060    0.0040   -0.0033    0.0023
 AT.  27 CA X     0.0015   -0.0013   -0.0007    0.0031   -0.0031    0.0010
            Y    -0.0009    0.0018    0.0001   -0.0037    0.0023   -0.0073
            Z     0.0051   -0.0029   -0.0060   -0.0040    0.0033    0.0023
 AT.  28 CA X     0.0015    0.0013    0.0007    0.0031    0.0031   -0.0010
            Y    -0.0009   -0.0018   -0.0001   -0.0037   -0.0023    0.0073
            Z    -0.0051   -0.0029   -0.0060    0.0040    0.0033    0.0023
 AT.  29 CA X    -0.0066   -0.0009    0.0073    0.0087    0.0000    0.0000
            Y    -0.0017   -0.0010    0.0024    0.0045    0.0000    0.0000
            Z    -0.0074   -0.0030    0.0084    0.0102    0.0000    0.0000
 AT.  30 CA X    -0.0066    0.0009   -0.0073    0.0087    0.0000    0.0000
            Y    -0.0017    0.0010   -0.0024    0.0045    0.0000    0.0000
            Z     0.0074   -0.0030    0.0084   -0.0102    0.0000    0.0000
 AT.  31 CA X    -0.0066    0.0009    0.0073   -0.0087    0.0000    0.0000
            Y     0.0017   -0.0010   -0.0024    0.0045    0.0000    0.0000
            Z     0.0074   -0.0030   -0.0084    0.0102    0.0000    0.0000
 AT.  32 CA X    -0.0066   -0.0009   -0.0073   -0.0087    0.0000    0.0000
            Y     0.0017    0.0010    0.0024    0.0045    0.0000    0.0000
            Z    -0.0074   -0.0030   -0.0084   -0.0102    0.0000    0.0000
 AT.  33 CA X     0.0091    0.0092   -0.0070    0.0067   -0.0057    0.0057
            Y     0.0036    0.0020   -0.0020    0.0054   -0.0044    0.0095
            Z    -0.0075   -0.0089    0.0036   -0.0091    0.0079   -0.0130
 AT.  34 CA X     0.0091   -0.0092    0.0070    0.0067    0.0057   -0.0057
            Y     0.0036   -0.0020    0.0020    0.0054    0.0044   -0.0095
            Z     0.0075   -0.0089    0.0036    0.0091    0.0079   -0.0130
 AT.  35 CA X     0.0091   -0.0092   -0.0070   -0.0067   -0.0057   -0.0057
            Y    -0.0036    0.0020    0.0020    0.0054    0.0044    0.0095
            Z     0.0075   -0.0089   -0.0036   -0.0091   -0.0079   -0.0130
 AT.  36 CA X     0.0091    0.0092    0.0070   -0.0067    0.0057    0.0057
            Y    -0.0036   -0.0020   -0.0020    0.0054   -0.0044   -0.0095
            Z    -0.0075   -0.0089   -0.0036    0.0091   -0.0079   -0.0130
 AT.  37 CA X     0.0091    0.0092   -0.0070    0.0067    0.0057   -0.0057
            Y     0.0036    0.0020   -0.0020    0.0054    0.0044   -0.0095
            Z    -0.0075   -0.0089    0.0036   -0.0091   -0.0079    0.0130
 AT.  38 CA X     0.0091   -0.0092    0.0070    0.0067   -0.0057    0.0057
            Y     0.0036   -0.0020    0.0020    0.0054   -0.0044    0.0095
            Z     0.0075   -0.0089    0.0036    0.0091   -0.0079    0.0130
 AT.  39 CA X     0.0091   -0.0092   -0.0070   -0.0067    0.0057    0.0057
            Y    -0.0036    0.0020    0.0020    0.0054   -0.0044   -0.0095
            Z     0.0075   -0.0089   -0.0036   -0.0091    0.0079    0.0130
 AT.  40 CA X     0.0091    0.0092    0.0070   -0.0067   -0.0057   -0.0057
            Y    -0.0036   -0.0020   -0.0020    0.0054    0.0044    0.0095
            Z    -0.0075   -0.0089   -0.0036    0.0091    0.0079    0.0130
 AT.  41 CA X    -0.0076   -0.0064    0.0001    0.0020   -0.0013   -0.0020
            Y     0.0034    0.0019   -0.0017   -0.0064    0.0076    0.0002
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 AT.  42 CA X    -0.0076    0.0064   -0.0001    0.0020    0.0013    0.0020
            Y     0.0034   -0.0019    0.0017   -0.0064   -0.0076   -0.0002
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 AT.  43 CA X    -0.0076    0.0064    0.0001   -0.0020   -0.0013    0.0020
            Y    -0.0034    0.0019    0.0017   -0.0064   -0.0076    0.0002
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 AT.  44 CA X    -0.0076   -0.0064   -0.0001   -0.0020    0.0013   -0.0020
            Y    -0.0034   -0.0019   -0.0017   -0.0064    0.0076   -0.0002
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 AT.  48 CA X    -0.0076   -0.0064   -0.0001   -0.0020   -0.0013    0.0020
            Y    -0.0034   -0.0019   -0.0017   -0.0064   -0.0076    0.0002
            Z    -0.0018   -0.0019   -0.0091    0.0007    0.0025    0.0038
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            Z     0.0064    0.0052    0.0000    0.0000    0.0000    0.0032
 AT.  50 CA X     0.0040   -0.0065    0.0000    0.0000    0.0000    0.0010
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            Z    -0.0064    0.0052    0.0000    0.0000    0.0000    0.0032
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            Z     0.0064    0.0052    0.0000    0.0000    0.0000   -0.0032
 AT.  52 CA X     0.0040   -0.0065    0.0000    0.0000    0.0000   -0.0010
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            Z    -0.0064    0.0052    0.0000    0.0000    0.0000   -0.0032
 AT.  53 O  X    -0.0001   -0.0008   -0.0015   -0.0032   -0.0014   -0.0031
            Y    -0.0026   -0.0001    0.0009   -0.0013    0.0023    0.0035
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 AT.  54 O  X    -0.0001    0.0008    0.0015   -0.0032    0.0014    0.0031
            Y    -0.0026    0.0001   -0.0009   -0.0013   -0.0023   -0.0035
            Z    -0.0100    0.0080   -0.0104    0.0022   -0.0039   -0.0014
 AT.  55 O  X    -0.0001    0.0008   -0.0015    0.0032   -0.0014    0.0031
            Y     0.0026   -0.0001   -0.0009   -0.0013   -0.0023    0.0035
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            Y     0.0026    0.0001    0.0009   -0.0013    0.0023   -0.0035
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 AT.  57 O  X    -0.0001   -0.0008   -0.0015   -0.0032    0.0014    0.0031
            Y    -0.0026   -0.0001    0.0009   -0.0013   -0.0023   -0.0035
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            Y    -0.0026    0.0001   -0.0009   -0.0013    0.0023    0.0035
            Z    -0.0100    0.0080   -0.0104    0.0022    0.0039    0.0014
 AT.  59 O  X    -0.0001    0.0008   -0.0015    0.0032    0.0014   -0.0031
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            Z    -0.0100    0.0080    0.0104   -0.0022   -0.0039    0.0014
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            Y     0.0026    0.0001    0.0009   -0.0013   -0.0023    0.0035
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 AT.  65 O  X     0.0090    0.0025   -0.0120   -0.0074   -0.0039   -0.0016
            Y    -0.0007   -0.0012   -0.0001    0.0001    0.0037    0.0004
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 AT.  66 O  X     0.0090   -0.0025    0.0120   -0.0074    0.0039    0.0016
            Y    -0.0007    0.0012    0.0001    0.0001   -0.0037   -0.0004
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            Z    -0.0080    0.0051    0.0075   -0.0028    0.0000   -0.0030
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            Y    -0.0053   -0.0066    0.0019    0.0041   -0.0002   -0.0036
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 AT.  70 O  X    -0.0077    0.0071   -0.0090   -0.0048   -0.0031    0.0067
            Y    -0.0053    0.0066   -0.0019    0.0041    0.0002    0.0036
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 AT.  71 O  X    -0.0077    0.0071    0.0090    0.0048    0.0031    0.0067
            Y     0.0053   -0.0066   -0.0019    0.0041    0.0002   -0.0036
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            Y     0.0053    0.0066    0.0019    0.0041   -0.0002    0.0036
            Z     0.0104    0.0031    0.0098   -0.0047    0.0080    0.0038
 AT.  73 O  X    -0.0077   -0.0071    0.0090   -0.0048   -0.0031    0.0067
            Y    -0.0053   -0.0066    0.0019    0.0041    0.0002    0.0036
            Z     0.0104    0.0031   -0.0098    0.0047    0.0080   -0.0038
 AT.  74 O  X    -0.0077    0.0071   -0.0090   -0.0048    0.0031   -0.0067
            Y    -0.0053    0.0066   -0.0019    0.0041   -0.0002   -0.0036
            Z    -0.0104    0.0031   -0.0098   -0.0047    0.0080   -0.0038
 AT.  75 O  X    -0.0077    0.0071    0.0090    0.0048   -0.0031   -0.0067
            Y     0.0053   -0.0066   -0.0019    0.0041   -0.0002    0.0036
            Z    -0.0104    0.0031    0.0098    0.0047   -0.0080   -0.0038
 AT.  76 O  X    -0.0077   -0.0071   -0.0090    0.0048    0.0031    0.0067
            Y     0.0053    0.0066    0.0019    0.0041    0.0002   -0.0036
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 AT.  77 O  X     0.0024   -0.0012   -0.0033   -0.0043    0.0010   -0.0013
            Y     0.0040    0.0065   -0.0030   -0.0081    0.0044    0.0013
            Z    -0.0002    0.0027    0.0004    0.0006   -0.0001    0.0043
 AT.  78 O  X     0.0024    0.0012    0.0033   -0.0043   -0.0010    0.0013
            Y     0.0040   -0.0065    0.0030   -0.0081   -0.0044   -0.0013
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 AT.  79 O  X     0.0024    0.0012   -0.0033    0.0043    0.0010    0.0013
            Y    -0.0040    0.0065    0.0030   -0.0081   -0.0044    0.0013
            Z     0.0002    0.0027   -0.0004    0.0006    0.0001    0.0043
 AT.  80 O  X     0.0024   -0.0012    0.0033    0.0043   -0.0010   -0.0013
            Y    -0.0040   -0.0065   -0.0030   -0.0081    0.0044   -0.0013
            Z    -0.0002    0.0027   -0.0004   -0.0006    0.0001    0.0043
 AT.  81 O  X     0.0024   -0.0012   -0.0033   -0.0043   -0.0010    0.0013
            Y     0.0040    0.0065   -0.0030   -0.0081   -0.0044   -0.0013
            Z    -0.0002    0.0027    0.0004    0.0006    0.0001   -0.0043
 AT.  82 O  X     0.0024    0.0012    0.0033   -0.0043    0.0010   -0.0013
            Y     0.0040   -0.0065    0.0030   -0.0081    0.0044    0.0013
            Z     0.0002    0.0027    0.0004   -0.0006    0.0001   -0.0043
 AT.  83 O  X     0.0024    0.0012   -0.0033    0.0043   -0.0010   -0.0013
            Y    -0.0040    0.0065    0.0030   -0.0081    0.0044   -0.0013
            Z     0.0002    0.0027   -0.0004    0.0006   -0.0001   -0.0043
 AT.  84 O  X     0.0024   -0.0012    0.0033    0.0043    0.0010    0.0013
            Y    -0.0040   -0.0065   -0.0030   -0.0081   -0.0044    0.0013
            Z    -0.0002    0.0027   -0.0004   -0.0006   -0.0001   -0.0043
 AT.  85 O  X    -0.0142   -0.0155    0.0099    0.0063   -0.0078   -0.0028
            Y    -0.0011   -0.0075    0.0073    0.0053   -0.0043    0.0009
            Z    -0.0038    0.0000   -0.0071    0.0108   -0.0123   -0.0024
 AT.  86 O  X    -0.0142    0.0155   -0.0099    0.0063    0.0078    0.0028
            Y    -0.0011    0.0075   -0.0073    0.0053    0.0043   -0.0009
            Z     0.0038    0.0000   -0.0071   -0.0108   -0.0123   -0.0024
 AT.  87 O  X    -0.0142    0.0155    0.0099   -0.0063   -0.0078    0.0028
            Y     0.0011   -0.0075   -0.0073    0.0053    0.0043    0.0009
            Z     0.0038    0.0000    0.0071    0.0108    0.0123   -0.0024
 AT.  88 O  X    -0.0142   -0.0155   -0.0099   -0.0063    0.0078   -0.0028
            Y     0.0011    0.0075    0.0073    0.0053   -0.0043   -0.0009
            Z    -0.0038    0.0000    0.0071   -0.0108    0.0123   -0.0024
 AT.  89 O  X    -0.0142   -0.0155    0.0099    0.0063    0.0078    0.0028
            Y    -0.0011   -0.0075    0.0073    0.0053    0.0043   -0.0009
            Z    -0.0038    0.0000   -0.0071    0.0108    0.0123    0.0024
 AT.  90 O  X    -0.0142    0.0155   -0.0099    0.0063   -0.0078   -0.0028
            Y    -0.0011    0.0075   -0.0073    0.0053   -0.0043    0.0009
            Z     0.0038    0.0000   -0.0071   -0.0108    0.0123    0.0024
 AT.  91 O  X    -0.0142    0.0155    0.0099   -0.0063    0.0078   -0.0028
            Y     0.0011   -0.0075   -0.0073    0.0053   -0.0043   -0.0009
            Z     0.0038    0.0000    0.0071    0.0108   -0.0123    0.0024
 AT.  92 O  X    -0.0142   -0.0155   -0.0099   -0.0063   -0.0078    0.0028
            Y     0.0011    0.0075    0.0073    0.0053    0.0043    0.0009
            Z    -0.0038    0.0000    0.0071   -0.0108   -0.0123    0.0024
 AT.  93 O  X     0.0033    0.0095   -0.0020   -0.0105    0.0108    0.0042
            Y    -0.0044   -0.0100    0.0030    0.0125   -0.0131   -0.0090
            Z     0.0150    0.0244   -0.0198   -0.0090    0.0100    0.0075
 AT.  94 O  X     0.0033   -0.0095    0.0020   -0.0105   -0.0108   -0.0042
            Y    -0.0044    0.0100   -0.0030    0.0125    0.0131    0.0090
            Z    -0.0150    0.0244   -0.0198    0.0090    0.0100    0.0075
 AT.  95 O  X     0.0033   -0.0095   -0.0020    0.0105    0.0108   -0.0042
            Y     0.0044   -0.0100   -0.0030    0.0125    0.0131   -0.0090
            Z    -0.0150    0.0244    0.0198   -0.0090   -0.0100    0.0075
 AT.  96 O  X     0.0033    0.0095    0.0020    0.0105   -0.0108    0.0042
            Y     0.0044    0.0100    0.0030    0.0125   -0.0131    0.0090
            Z     0.0150    0.0244    0.0198    0.0090   -0.0100    0.0075
 AT.  97 O  X     0.0033    0.0095   -0.0020   -0.0105   -0.0108   -0.0042
            Y    -0.0044   -0.0100    0.0030    0.0125    0.0131    0.0090
            Z     0.0150    0.0244   -0.0198   -0.0090   -0.0100   -0.0075
 AT.  98 O  X     0.0033   -0.0095    0.0020   -0.0105    0.0108    0.0042
            Y    -0.0044    0.0100   -0.0030    0.0125   -0.0131   -0.0090
            Z    -0.0150    0.0244   -0.0198    0.0090   -0.0100   -0.0075
 AT.  99 O  X     0.0033   -0.0095   -0.0020    0.0105   -0.0108    0.0042
            Y     0.0044   -0.0100   -0.0030    0.0125   -0.0131    0.0090
            Z    -0.0150    0.0244    0.0198   -0.0090    0.0100   -0.0075
 AT. 100 O  X     0.0033    0.0095    0.0020    0.0105    0.0108   -0.0042
            Y     0.0044    0.0100    0.0030    0.0125    0.0131   -0.0090
            Z     0.0150    0.0244    0.0198    0.0090    0.0100   -0.0075
 AT. 101 O  X    -0.0019   -0.0087    0.0073   -0.0058    0.0078   -0.0060
            Y    -0.0014    0.0034   -0.0039   -0.0007    0.0007   -0.0017
            Z     0.0000    0.0033   -0.0043    0.0069   -0.0071    0.0058
 AT. 102 O  X    -0.0019    0.0087   -0.0073   -0.0058   -0.0078    0.0060
            Y    -0.0014   -0.0034    0.0039   -0.0007   -0.0007    0.0017
            Z     0.0000    0.0033   -0.0043   -0.0069   -0.0071    0.0058
 AT. 103 O  X    -0.0019    0.0087    0.0073    0.0058    0.0078    0.0060
            Y     0.0014    0.0034    0.0039   -0.0007   -0.0007   -0.0017
            Z     0.0000    0.0033    0.0043    0.0069    0.0071    0.0058
 AT. 104 O  X    -0.0019   -0.0087   -0.0073    0.0058   -0.0078   -0.0060
            Y     0.0014   -0.0034   -0.0039   -0.0007    0.0007    0.0017
            Z     0.0000    0.0033    0.0043   -0.0069    0.0071    0.0058
 AT. 105 O  X    -0.0019   -0.0087    0.0073   -0.0058   -0.0078    0.0060
            Y    -0.0014    0.0034   -0.0039   -0.0007   -0.0007    0.0017
            Z     0.0000    0.0033   -0.0043    0.0069    0.0071   -0.0058
 AT. 106 O  X    -0.0019    0.0087   -0.0073   -0.0058    0.0078   -0.0060
            Y    -0.0014   -0.0034    0.0039   -0.0007    0.0007   -0.0017
            Z     0.0000    0.0033   -0.0043   -0.0069    0.0071   -0.0058
 AT. 107 O  X    -0.0019    0.0087    0.0073    0.0058   -0.0078   -0.0060
            Y     0.0014    0.0034    0.0039   -0.0007    0.0007    0.0017
            Z     0.0000    0.0033    0.0043    0.0069   -0.0071   -0.0058
 AT. 108 O  X    -0.0019   -0.0087   -0.0073    0.0058    0.0078    0.0060
            Y     0.0014   -0.0034   -0.0039   -0.0007   -0.0007   -0.0017
            Z     0.0000    0.0033    0.0043   -0.0069   -0.0071   -0.0058
 AT. 109 O  X    -0.0079   -0.0054    0.0094   -0.0018    0.0024   -0.0004
            Y     0.0017   -0.0078   -0.0024    0.0029   -0.0067   -0.0202
            Z    -0.0159   -0.0104    0.0214   -0.0018    0.0045    0.0107
 AT. 110 O  X    -0.0079    0.0054   -0.0094   -0.0018   -0.0024    0.0004
            Y     0.0017    0.0078    0.0024    0.0029    0.0067    0.0202
            Z     0.0159   -0.0104    0.0214    0.0018    0.0045    0.0107
 AT. 111 O  X    -0.0079    0.0054    0.0094    0.0018    0.0024    0.0004
            Y    -0.0017   -0.0078    0.0024    0.0029    0.0067   -0.0202
            Z     0.0159   -0.0104   -0.0214   -0.0018   -0.0045    0.0107
 AT. 112 O  X    -0.0079   -0.0054   -0.0094    0.0018   -0.0024   -0.0004
            Y    -0.0017    0.0078   -0.0024    0.0029   -0.0067    0.0202
            Z    -0.0159   -0.0104   -0.0214    0.0018   -0.0045    0.0107
 AT. 113 O  X    -0.0079   -0.0054    0.0094   -0.0018   -0.0024    0.0004
            Y     0.0017   -0.0078   -0.0024    0.0029    0.0067    0.0202
            Z    -0.0159   -0.0104    0.0214   -0.0018   -0.0045   -0.0107
 AT. 114 O  X    -0.0079    0.0054   -0.0094   -0.0018    0.0024   -0.0004
            Y     0.0017    0.0078    0.0024    0.0029   -0.0067   -0.0202
            Z     0.0159   -0.0104    0.0214    0.0018   -0.0045   -0.0107
 AT. 115 O  X    -0.0079    0.0054    0.0094    0.0018   -0.0024   -0.0004
            Y    -0.0017   -0.0078    0.0024    0.0029   -0.0067    0.0202
            Z     0.0159   -0.0104   -0.0214   -0.0018    0.0045   -0.0107
 AT. 116 O  X    -0.0079   -0.0054   -0.0094    0.0018    0.0024    0.0004
            Y    -0.0017    0.0078   -0.0024    0.0029    0.0067   -0.0202
            Z    -0.0159   -0.0104   -0.0214    0.0018    0.0045   -0.0107
 AT. 117 O  X     0.0109    0.0098   -0.0061    0.0027   -0.0034    0.0107
            Y     0.0014   -0.0085    0.0026   -0.0202    0.0223   -0.0154
            Z     0.0091   -0.0102    0.0030    0.0009   -0.0003   -0.0107
 AT. 118 O  X     0.0109   -0.0098    0.0061    0.0027    0.0034   -0.0107
            Y     0.0014    0.0085   -0.0026   -0.0202   -0.0223    0.0154
            Z    -0.0091   -0.0102    0.0030   -0.0009   -0.0003   -0.0107
 AT. 119 O  X     0.0109   -0.0098   -0.0061   -0.0027   -0.0034   -0.0107
            Y    -0.0014   -0.0085   -0.0026   -0.0202   -0.0223   -0.0154
            Z    -0.0091   -0.0102   -0.0030    0.0009    0.0003   -0.0107
 AT. 120 O  X     0.0109    0.0098    0.0061   -0.0027    0.0034    0.0107
            Y    -0.0014    0.0085    0.0026   -0.0202    0.0223    0.0154
            Z     0.0091   -0.0102   -0.0030   -0.0009    0.0003   -0.0107
 AT. 121 O  X     0.0109    0.0098   -0.0061    0.0027    0.0034   -0.0107
            Y     0.0014   -0.0085    0.0026   -0.0202   -0.0223    0.0154
            Z     0.0091   -0.0102    0.0030    0.0009    0.0003    0.0107
 AT. 122 O  X     0.0109   -0.0098    0.0061    0.0027   -0.0034    0.0107
            Y     0.0014    0.0085   -0.0026   -0.0202    0.0223   -0.0154
            Z    -0.0091   -0.0102    0.0030   -0.0009    0.0003    0.0107
 AT. 123 O  X     0.0109   -0.0098   -0.0061   -0.0027    0.0034    0.0107
            Y    -0.0014   -0.0085   -0.0026   -0.0202    0.0223    0.0154
            Z    -0.0091   -0.0102   -0.0030    0.0009   -0.0003    0.0107
 AT. 124 O  X     0.0109    0.0098    0.0061   -0.0027   -0.0034   -0.0107
            Y    -0.0014    0.0085    0.0026   -0.0202   -0.0223   -0.0154
            Z     0.0091   -0.0102   -0.0030   -0.0009   -0.0003    0.0107

 FREQ(CM**-1)    353.37    360.06    363.25    364.97    366.06    368.67

 AT.   1 SI X    -0.0001    0.0033    0.0005   -0.0020   -0.0040    0.0023
            Y    -0.0016    0.0033    0.0009   -0.0005   -0.0007    0.0040
            Z    -0.0036    0.0041   -0.0082   -0.0027   -0.0082    0.0040
 AT.   2 SI X    -0.0001   -0.0033    0.0005   -0.0020    0.0040    0.0023
            Y    -0.0016   -0.0033    0.0009   -0.0005    0.0007    0.0040
            Z     0.0036    0.0041    0.0082    0.0027   -0.0082   -0.0040
 AT.   3 SI X     0.0001    0.0033    0.0005    0.0020    0.0040    0.0023
            Y    -0.0016   -0.0033   -0.0009   -0.0005   -0.0007   -0.0040
            Z    -0.0036   -0.0041    0.0082   -0.0027   -0.0082   -0.0040
 AT.   4 SI X     0.0001   -0.0033    0.0005    0.0020   -0.0040    0.0023
            Y    -0.0016    0.0033   -0.0009   -0.0005    0.0007   -0.0040
            Z     0.0036   -0.0041   -0.0082    0.0027   -0.0082    0.0040
 AT.   5 SI X     0.0001    0.0033   -0.0005   -0.0020   -0.0040    0.0023
            Y     0.0016    0.0033   -0.0009   -0.0005   -0.0007    0.0040
            Z     0.0036    0.0041    0.0082   -0.0027   -0.0082    0.0040
 AT.   6 SI X     0.0001   -0.0033   -0.0005   -0.0020    0.0040    0.0023
            Y     0.0016   -0.0033   -0.0009   -0.0005    0.0007    0.0040
            Z    -0.0036    0.0041   -0.0082    0.0027   -0.0082   -0.0040
 AT.   7 SI X    -0.0001    0.0033   -0.0005    0.0020    0.0040    0.0023
            Y     0.0016   -0.0033    0.0009   -0.0005   -0.0007   -0.0040
            Z     0.0036   -0.0041   -0.0082   -0.0027   -0.0082   -0.0040
 AT.   8 SI X    -0.0001   -0.0033   -0.0005    0.0020   -0.0040    0.0023
            Y     0.0016    0.0033    0.0009   -0.0005    0.0007   -0.0040
            Z    -0.0036   -0.0041    0.0082    0.0027   -0.0082    0.0040
 AT.   9 SI X     0.0073    0.0029    0.0003   -0.0006    0.0001   -0.0008
            Y    -0.0030   -0.0034    0.0024   -0.0036   -0.0013    0.0050
            Z    -0.0040   -0.0018   -0.0090    0.0070    0.0052   -0.0022
 AT.  10 SI X     0.0073   -0.0029    0.0003   -0.0006   -0.0001   -0.0008
            Y    -0.0030    0.0034    0.0024   -0.0036    0.0013    0.0050
            Z     0.0040   -0.0018    0.0090   -0.0070    0.0052    0.0022
 AT.  11 SI X    -0.0073    0.0029    0.0003    0.0006   -0.0001   -0.0008
            Y    -0.0030    0.0034   -0.0024   -0.0036   -0.0013   -0.0050
            Z    -0.0040    0.0018    0.0090    0.0070    0.0052    0.0022
 AT.  12 SI X    -0.0073   -0.0029    0.0003    0.0006    0.0001   -0.0008
            Y    -0.0030   -0.0034   -0.0024   -0.0036    0.0013   -0.0050
            Z     0.0040    0.0018   -0.0090   -0.0070    0.0052   -0.0022
 AT.  13 SI X    -0.0073    0.0029   -0.0003   -0.0006    0.0001   -0.0008
            Y     0.0030   -0.0034   -0.0024   -0.0036   -0.0013    0.0050
            Z     0.0040   -0.0018    0.0090    0.0070    0.0052   -0.0022
 AT.  14 SI X    -0.0073   -0.0029   -0.0003   -0.0006   -0.0001   -0.0008
            Y     0.0030    0.0034   -0.0024   -0.0036    0.0013    0.0050
            Z    -0.0040   -0.0018   -0.0090   -0.0070    0.0052    0.0022
 AT.  15 SI X     0.0073    0.0029   -0.0003    0.0006   -0.0001   -0.0008
            Y     0.0030    0.0034    0.0024   -0.0036   -0.0013   -0.0050
            Z     0.0040    0.0018   -0.0090    0.0070    0.0052    0.0022
 AT.  16 SI X     0.0073   -0.0029   -0.0003    0.0006    0.0001   -0.0008
            Y     0.0030   -0.0034    0.0024   -0.0036    0.0013   -0.0050
            Z    -0.0040    0.0018    0.0090   -0.0070    0.0052   -0.0022
 AT.  17 SI X     0.0000    0.0000    0.0071    0.0000   -0.0053    0.0038
            Y     0.0042    0.0131    0.0000    0.0098    0.0000    0.0000
            Z     0.0000    0.0000    0.0006    0.0000    0.0002   -0.0023
 AT.  18 SI X     0.0000    0.0000    0.0071    0.0000    0.0053    0.0038
            Y     0.0042   -0.0131    0.0000    0.0098    0.0000    0.0000
            Z     0.0000    0.0000   -0.0006    0.0000    0.0002    0.0023
 AT.  19 SI X     0.0000    0.0000   -0.0071    0.0000   -0.0053    0.0038
            Y    -0.0042    0.0131    0.0000    0.0098    0.0000    0.0000
            Z     0.0000    0.0000   -0.0006    0.0000    0.0002   -0.0023
 AT.  20 SI X     0.0000    0.0000   -0.0071    0.0000    0.0053    0.0038
            Y    -0.0042   -0.0131    0.0000    0.0098    0.0000    0.0000
            Z     0.0000    0.0000    0.0006    0.0000    0.0002    0.0023
 AT.  21 CA X     0.0003    0.0010    0.0013   -0.0006   -0.0039    0.0000
            Y    -0.0051   -0.0060    0.0033   -0.0034   -0.0054   -0.0061
            Z     0.0026   -0.0009    0.0005    0.0008    0.0034   -0.0029
 AT.  22 CA X     0.0003   -0.0010    0.0013   -0.0006    0.0039    0.0000
            Y    -0.0051    0.0060    0.0033   -0.0034    0.0054   -0.0061
            Z    -0.0026   -0.0009   -0.0005   -0.0008    0.0034    0.0029
 AT.  23 CA X    -0.0003    0.0010    0.0013    0.0006    0.0039    0.0000
            Y    -0.0051    0.0060   -0.0033   -0.0034   -0.0054    0.0061
            Z     0.0026    0.0009   -0.0005    0.0008    0.0034    0.0029
 AT.  24 CA X    -0.0003   -0.0010    0.0013    0.0006   -0.0039    0.0000
            Y    -0.0051   -0.0060   -0.0033   -0.0034    0.0054    0.0061
            Z    -0.0026    0.0009    0.0005   -0.0008    0.0034   -0.0029
 AT.  25 CA X    -0.0003    0.0010   -0.0013   -0.0006   -0.0039    0.0000
            Y     0.0051   -0.0060   -0.0033   -0.0034   -0.0054   -0.0061
            Z    -0.0026   -0.0009   -0.0005    0.0008    0.0034   -0.0029
 AT.  26 CA X    -0.0003   -0.0010   -0.0013   -0.0006    0.0039    0.0000
            Y     0.0051    0.0060   -0.0033   -0.0034    0.0054   -0.0061
            Z     0.0026   -0.0009    0.0005   -0.0008    0.0034    0.0029
 AT.  27 CA X     0.0003    0.0010   -0.0013    0.0006    0.0039    0.0000
            Y     0.0051    0.0060    0.0033   -0.0034   -0.0054    0.0061
            Z    -0.0026    0.0009    0.0005    0.0008    0.0034    0.0029
 AT.  28 CA X     0.0003   -0.0010   -0.0013    0.0006   -0.0039    0.0000
            Y     0.0051   -0.0060    0.0033   -0.0034    0.0054    0.0061
            Z     0.0026    0.0009   -0.0005   -0.0008    0.0034   -0.0029
 AT.  29 CA X     0.0000   -0.0135    0.0000    0.0088    0.0172   -0.0109
            Y     0.0000   -0.0100    0.0000    0.0049    0.0090   -0.0094
            Z     0.0000   -0.0191    0.0000    0.0122    0.0222   -0.0175
 AT.  30 CA X     0.0000    0.0135    0.0000    0.0088   -0.0172   -0.0109
            Y     0.0000    0.0100    0.0000    0.0049   -0.0090   -0.0094
            Z     0.0000   -0.0191    0.0000   -0.0122    0.0222    0.0175
 AT.  31 CA X     0.0000   -0.0135    0.0000   -0.0088   -0.0172   -0.0109
            Y     0.0000    0.0100    0.0000    0.0049    0.0090    0.0094
            Z     0.0000    0.0191    0.0000    0.0122    0.0222    0.0175
 AT.  32 CA X     0.0000    0.0135    0.0000   -0.0088    0.0172   -0.0109
            Y     0.0000   -0.0100    0.0000    0.0049   -0.0090    0.0094
            Z     0.0000    0.0191    0.0000   -0.0122    0.0222   -0.0175
 AT.  33 CA X    -0.0104   -0.0065   -0.0089    0.0065    0.0051   -0.0033
            Y    -0.0048   -0.0031   -0.0073    0.0056    0.0042   -0.0056
            Z     0.0088    0.0059    0.0153   -0.0106   -0.0079    0.0074
 AT.  34 CA X    -0.0104    0.0065   -0.0089    0.0065   -0.0051   -0.0033
            Y    -0.0048    0.0031   -0.0073    0.0056   -0.0042   -0.0056
            Z    -0.0088    0.0059   -0.0153    0.0106   -0.0079   -0.0074
 AT.  35 CA X     0.0104   -0.0065   -0.0089   -0.0065   -0.0051   -0.0033
            Y    -0.0048    0.0031    0.0073    0.0056    0.0042    0.0056
            Z     0.0088   -0.0059   -0.0153   -0.0106   -0.0079   -0.0074
 AT.  36 CA X     0.0104    0.0065   -0.0089   -0.0065    0.0051   -0.0033
            Y    -0.0048   -0.0031    0.0073    0.0056   -0.0042    0.0056
            Z    -0.0088   -0.0059    0.0153    0.0106   -0.0079    0.0074
 AT.  37 CA X     0.0104   -0.0065    0.0089    0.0065    0.0051   -0.0033
            Y     0.0048   -0.0031    0.0073    0.0056    0.0042   -0.0056
            Z    -0.0088    0.0059   -0.0153   -0.0106   -0.0079    0.0074
 AT.  38 CA X     0.0104    0.0065    0.0089    0.0065   -0.0051   -0.0033
            Y     0.0048    0.0031    0.0073    0.0056   -0.0042   -0.0056
            Z     0.0088    0.0059    0.0153    0.0106   -0.0079   -0.0074
 AT.  39 CA X    -0.0104   -0.0065    0.0089   -0.0065   -0.0051   -0.0033
            Y     0.0048    0.0031   -0.0073    0.0056    0.0042    0.0056
            Z    -0.0088   -0.0059    0.0153   -0.0106   -0.0079   -0.0074
 AT.  40 CA X    -0.0104    0.0065    0.0089   -0.0065    0.0051   -0.0033
            Y     0.0048   -0.0031   -0.0073    0.0056   -0.0042    0.0056
            Z     0.0088   -0.0059   -0.0153    0.0106   -0.0079    0.0074
 AT.  41 CA X    -0.0004   -0.0035    0.0065   -0.0025   -0.0016    0.0039
            Y     0.0003    0.0005    0.0028    0.0002   -0.0004    0.0004
            Z     0.0096    0.0001    0.0044   -0.0014    0.0041   -0.0050
 AT.  42 CA X    -0.0004    0.0035    0.0065   -0.0025    0.0016    0.0039
            Y     0.0003   -0.0005    0.0028    0.0002    0.0004    0.0004
            Z    -0.0096    0.0001   -0.0044    0.0014    0.0041    0.0050
 AT.  43 CA X     0.0004   -0.0035    0.0065    0.0025    0.0016    0.0039
            Y     0.0003   -0.0005   -0.0028    0.0002   -0.0004   -0.0004
            Z     0.0096   -0.0001   -0.0044   -0.0014    0.0041    0.0050
 AT.  44 CA X     0.0004    0.0035    0.0065    0.0025   -0.0016    0.0039
            Y     0.0003    0.0005   -0.0028    0.0002    0.0004   -0.0004
            Z    -0.0096   -0.0001    0.0044    0.0014    0.0041   -0.0050
 AT.  45 CA X     0.0004   -0.0035   -0.0065   -0.0025   -0.0016    0.0039
            Y    -0.0003    0.0005   -0.0028    0.0002   -0.0004    0.0004
            Z    -0.0096    0.0001   -0.0044   -0.0014    0.0041   -0.0050
 AT.  46 CA X     0.0004    0.0035   -0.0065   -0.0025    0.0016    0.0039
            Y    -0.0003   -0.0005   -0.0028    0.0002    0.0004    0.0004
            Z     0.0096    0.0001    0.0044    0.0014    0.0041    0.0050
 AT.  47 CA X    -0.0004   -0.0035   -0.0065    0.0025    0.0016    0.0039
            Y    -0.0003   -0.0005    0.0028    0.0002   -0.0004   -0.0004
            Z    -0.0096   -0.0001    0.0044   -0.0014    0.0041    0.0050
 AT.  48 CA X    -0.0004    0.0035   -0.0065    0.0025   -0.0016    0.0039
            Y    -0.0003    0.0005    0.0028    0.0002    0.0004   -0.0004
            Z     0.0096   -0.0001   -0.0044    0.0014    0.0041   -0.0050
 AT.  49 CA X     0.0000    0.0000   -0.0024    0.0000    0.0000    0.0018
            Y     0.0108    0.0125    0.0000   -0.0058    0.0000    0.0000
            Z     0.0000    0.0000   -0.0018    0.0000    0.0001   -0.0027
 AT.  50 CA X     0.0000    0.0000   -0.0024    0.0000    0.0000    0.0018
            Y     0.0108   -0.0125    0.0000   -0.0058    0.0000    0.0000
            Z     0.0000    0.0000    0.0018    0.0000    0.0001    0.0027
 AT.  51 CA X     0.0000    0.0000    0.0024    0.0000    0.0000    0.0018
            Y    -0.0108    0.0125    0.0000   -0.0058    0.0000    0.0000
            Z     0.0000    0.0000    0.0018    0.0000    0.0001   -0.0027
 AT.  52 CA X     0.0000    0.0000    0.0024    0.0000    0.0000    0.0018
            Y    -0.0108   -0.0125    0.0000   -0.0058    0.0000    0.0000
            Z     0.0000    0.0000   -0.0018    0.0000    0.0001    0.0027
 AT.  53 O  X    -0.0016    0.0002    0.0033   -0.0057   -0.0047    0.0038
            Y    -0.0020    0.0033   -0.0005    0.0011   -0.0005    0.0016
            Z    -0.0046    0.0029   -0.0082    0.0004   -0.0100    0.0000
 AT.  54 O  X    -0.0016   -0.0002    0.0033   -0.0057    0.0047    0.0038
            Y    -0.0020   -0.0033   -0.0005    0.0011    0.0005    0.0016
            Z     0.0046    0.0029    0.0082   -0.0004   -0.0100    0.0000
 AT.  55 O  X     0.0016    0.0002    0.0033    0.0057    0.0047    0.0038
            Y    -0.0020   -0.0033    0.0005    0.0011   -0.0005   -0.0016
            Z    -0.0046   -0.0029    0.0082    0.0004   -0.0100    0.0000
 AT.  56 O  X     0.0016   -0.0002    0.0033    0.0057   -0.0047    0.0038
            Y    -0.0020    0.0033    0.0005    0.0011    0.0005   -0.0016
            Z     0.0046   -0.0029   -0.0082   -0.0004   -0.0100    0.0000
 AT.  57 O  X     0.0016    0.0002   -0.0033   -0.0057   -0.0047    0.0038
            Y     0.0020    0.0033    0.0005    0.0011   -0.0005    0.0016
            Z     0.0046    0.0029    0.0082    0.0004   -0.0100    0.0000
 AT.  58 O  X     0.0016   -0.0002   -0.0033   -0.0057    0.0047    0.0038
            Y     0.0020   -0.0033    0.0005    0.0011    0.0005    0.0016
            Z    -0.0046    0.0029   -0.0082   -0.0004   -0.0100    0.0000
 AT.  59 O  X    -0.0016    0.0002   -0.0033    0.0057    0.0047    0.0038
            Y     0.0020   -0.0033   -0.0005    0.0011   -0.0005   -0.0016
            Z     0.0046   -0.0029   -0.0082    0.0004   -0.0100    0.0000
 AT.  60 O  X    -0.0016   -0.0002   -0.0033    0.0057   -0.0047    0.0038
            Y     0.0020    0.0033   -0.0005    0.0011    0.0005   -0.0016
            Z    -0.0046   -0.0029    0.0082   -0.0004   -0.0100    0.0000
 AT.  61 O  X    -0.0032    0.0126    0.0001   -0.0028   -0.0116    0.0103
            Y    -0.0009    0.0073   -0.0039   -0.0008   -0.0013    0.0071
            Z    -0.0047    0.0070   -0.0029   -0.0039   -0.0114    0.0064
 AT.  62 O  X    -0.0032   -0.0126    0.0001   -0.0028    0.0116    0.0103
            Y    -0.0009   -0.0073   -0.0039   -0.0008    0.0013    0.0071
            Z     0.0047    0.0070    0.0029    0.0039   -0.0114   -0.0064
 AT.  63 O  X     0.0032    0.0126    0.0001    0.0028    0.0116    0.0103
            Y    -0.0009   -0.0073    0.0039   -0.0008   -0.0013   -0.0071
            Z    -0.0047   -0.0070    0.0029   -0.0039   -0.0114   -0.0064
 AT.  64 O  X     0.0032   -0.0126    0.0001    0.0028   -0.0116    0.0103
            Y    -0.0009    0.0073    0.0039   -0.0008    0.0013   -0.0071
            Z     0.0047   -0.0070   -0.0029    0.0039   -0.0114    0.0064
 AT.  65 O  X     0.0032    0.0126   -0.0001   -0.0028   -0.0116    0.0103
            Y     0.0009    0.0073    0.0039   -0.0008   -0.0013    0.0071
            Z     0.0047    0.0070    0.0029   -0.0039   -0.0114    0.0064
 AT.  66 O  X     0.0032   -0.0126   -0.0001   -0.0028    0.0116    0.0103
            Y     0.0009   -0.0073    0.0039   -0.0008    0.0013    0.0071
            Z    -0.0047    0.0070   -0.0029    0.0039   -0.0114   -0.0064
 AT.  67 O  X    -0.0032    0.0126   -0.0001    0.0028    0.0116    0.0103
            Y     0.0009   -0.0073   -0.0039   -0.0008   -0.0013   -0.0071
            Z     0.0047   -0.0070   -0.0029   -0.0039   -0.0114   -0.0064
 AT.  68 O  X    -0.0032   -0.0126   -0.0001    0.0028   -0.0116    0.0103
            Y     0.0009    0.0073   -0.0039   -0.0008    0.0013   -0.0071
            Z    -0.0047   -0.0070    0.0029    0.0039   -0.0114    0.0064
 AT.  69 O  X     0.0110    0.0042    0.0048   -0.0057   -0.0055   -0.0003
            Y     0.0027   -0.0002    0.0013    0.0012    0.0057    0.0019
            Z    -0.0083    0.0021   -0.0100    0.0009   -0.0028    0.0040
 AT.  70 O  X     0.0110   -0.0042    0.0048   -0.0057    0.0055   -0.0003
            Y     0.0027    0.0002    0.0013    0.0012   -0.0057    0.0019
            Z     0.0083    0.0021    0.0100   -0.0009   -0.0028   -0.0040
 AT.  71 O  X    -0.0110    0.0042    0.0048    0.0057    0.0055   -0.0003
            Y     0.0027    0.0002   -0.0013    0.0012    0.0057   -0.0019
            Z    -0.0083   -0.0021    0.0100    0.0009   -0.0028   -0.0040
 AT.  72 O  X    -0.0110   -0.0042    0.0048    0.0057   -0.0055   -0.0003
            Y     0.0027   -0.0002   -0.0013    0.0012   -0.0057   -0.0019
            Z     0.0083   -0.0021   -0.0100   -0.0009   -0.0028    0.0040
 AT.  73 O  X    -0.0110    0.0042   -0.0048   -0.0057   -0.0055   -0.0003
            Y    -0.0027   -0.0002   -0.0013    0.0012    0.0057    0.0019
            Z     0.0083    0.0021    0.0100    0.0009   -0.0028    0.0040
 AT.  74 O  X    -0.0110   -0.0042   -0.0048   -0.0057    0.0055   -0.0003
            Y    -0.0027    0.0002   -0.0013    0.0012   -0.0057    0.0019
            Z    -0.0083    0.0021   -0.0100   -0.0009   -0.0028   -0.0040
 AT.  75 O  X     0.0110    0.0042   -0.0048    0.0057    0.0055   -0.0003
            Y    -0.0027    0.0002    0.0013    0.0012    0.0057   -0.0019
            Z     0.0083   -0.0021   -0.0100    0.0009   -0.0028   -0.0040
 AT.  76 O  X     0.0110   -0.0042   -0.0048    0.0057   -0.0055   -0.0003
            Y    -0.0027   -0.0002    0.0013    0.0012   -0.0057   -0.0019
            Z    -0.0083   -0.0021    0.0100   -0.0009   -0.0028    0.0040
 AT.  77 O  X     0.0006    0.0054    0.0009   -0.0033   -0.0065    0.0039
            Y     0.0008    0.0068    0.0006   -0.0022   -0.0094    0.0030
            Z    -0.0002    0.0011   -0.0004    0.0010    0.0024    0.0033
 AT.  78 O  X     0.0006   -0.0054    0.0009   -0.0033    0.0065    0.0039
            Y     0.0008   -0.0068    0.0006   -0.0022    0.0094    0.0030
            Z     0.0002    0.0011    0.0004   -0.0010    0.0024   -0.0033
 AT.  79 O  X    -0.0006    0.0054    0.0009    0.0033    0.0065    0.0039
            Y     0.0008   -0.0068   -0.0006   -0.0022   -0.0094   -0.0030
            Z    -0.0002   -0.0011    0.0004    0.0010    0.0024   -0.0033
 AT.  80 O  X    -0.0006   -0.0054    0.0009    0.0033   -0.0065    0.0039
            Y     0.0008    0.0068   -0.0006   -0.0022    0.0094   -0.0030
            Z     0.0002   -0.0011   -0.0004   -0.0010    0.0024    0.0033
 AT.  81 O  X    -0.0006    0.0054   -0.0009   -0.0033   -0.0065    0.0039
            Y    -0.0008    0.0068   -0.0006   -0.0022   -0.0094    0.0030
            Z     0.0002    0.0011    0.0004    0.0010    0.0024    0.0033
 AT.  82 O  X    -0.0006   -0.0054   -0.0009   -0.0033    0.0065    0.0039
            Y    -0.0008   -0.0068   -0.0006   -0.0022    0.0094    0.0030
            Z    -0.0002    0.0011   -0.0004   -0.0010    0.0024   -0.0033
 AT.  83 O  X     0.0006    0.0054   -0.0009    0.0033    0.0065    0.0039
            Y    -0.0008   -0.0068    0.0006   -0.0022   -0.0094   -0.0030
            Z     0.0002   -0.0011   -0.0004    0.0010    0.0024   -0.0033
 AT.  84 O  X     0.0006   -0.0054   -0.0009    0.0033   -0.0065    0.0039
            Y    -0.0008    0.0068    0.0006   -0.0022    0.0094   -0.0030
            Z    -0.0002   -0.0011    0.0004   -0.0010    0.0024    0.0033
 AT.  85 O  X     0.0092   -0.0056    0.0118   -0.0150   -0.0042    0.0047
            Y     0.0044   -0.0006   -0.0080    0.0044    0.0055   -0.0021
            Z    -0.0092   -0.0094    0.0046   -0.0051   -0.0014    0.0041
 AT.  86 O  X     0.0092    0.0056    0.0118   -0.0150    0.0042    0.0047
            Y     0.0044    0.0006   -0.0080    0.0044   -0.0055   -0.0021
            Z     0.0092   -0.0094   -0.0046    0.0051   -0.0014   -0.0041
 AT.  87 O  X    -0.0092   -0.0056    0.0118    0.0150    0.0042    0.0047
            Y     0.0044    0.0006    0.0080    0.0044    0.0055    0.0021
            Z    -0.0092    0.0094   -0.0046   -0.0051   -0.0014   -0.0041
 AT.  88 O  X    -0.0092    0.0056    0.0118    0.0150   -0.0042    0.0047
            Y     0.0044   -0.0006    0.0080    0.0044   -0.0055    0.0021
            Z     0.0092    0.0094    0.0046    0.0051   -0.0014    0.0041
 AT.  89 O  X    -0.0092   -0.0056   -0.0118   -0.0150   -0.0042    0.0047
            Y    -0.0044   -0.0006    0.0080    0.0044    0.0055   -0.0021
            Z     0.0092   -0.0094   -0.0046   -0.0051   -0.0014    0.0041
 AT.  90 O  X    -0.0092    0.0056   -0.0118   -0.0150    0.0042    0.0047
            Y    -0.0044    0.0006    0.0080    0.0044   -0.0055   -0.0021
            Z    -0.0092   -0.0094    0.0046    0.0051   -0.0014   -0.0041
 AT.  91 O  X     0.0092   -0.0056   -0.0118    0.0150    0.0042    0.0047
            Y    -0.0044    0.0006   -0.0080    0.0044    0.0055    0.0021
            Z     0.0092    0.0094    0.0046   -0.0051   -0.0014   -0.0041
 AT.  92 O  X     0.0092    0.0056   -0.0118    0.0150   -0.0042    0.0047
            Y    -0.0044   -0.0006   -0.0080    0.0044   -0.0055    0.0021
            Z    -0.0092    0.0094   -0.0046    0.0051   -0.0014    0.0041
 AT.  93 O  X     0.0010    0.0076   -0.0035    0.0020   -0.0024   -0.0081
            Y     0.0019   -0.0052    0.0039   -0.0051    0.0004    0.0064
            Z    -0.0167    0.0037   -0.0114    0.0138    0.0021   -0.0012
 AT.  94 O  X     0.0010   -0.0076   -0.0035    0.0020    0.0024   -0.0081
            Y     0.0019    0.0052    0.0039   -0.0051   -0.0004    0.0064
            Z     0.0167    0.0037    0.0114   -0.0138    0.0021    0.0012
 AT.  95 O  X    -0.0010    0.0076   -0.0035   -0.0020    0.0024   -0.0081
            Y     0.0019    0.0052   -0.0039   -0.0051    0.0004   -0.0064
            Z    -0.0167   -0.0037    0.0114    0.0138    0.0021    0.0012
 AT.  96 O  X    -0.0010   -0.0076   -0.0035   -0.0020   -0.0024   -0.0081
            Y     0.0019   -0.0052   -0.0039   -0.0051   -0.0004   -0.0064
            Z     0.0167   -0.0037   -0.0114   -0.0138    0.0021   -0.0012
 AT.  97 O  X    -0.0010    0.0076    0.0035    0.0020   -0.0024   -0.0081
            Y    -0.0019   -0.0052   -0.0039   -0.0051    0.0004    0.0064
            Z     0.0167    0.0037    0.0114    0.0138    0.0021   -0.0012
 AT.  98 O  X    -0.0010   -0.0076    0.0035    0.0020    0.0024   -0.0081
            Y    -0.0019    0.0052   -0.0039   -0.0051   -0.0004    0.0064
            Z    -0.0167    0.0037   -0.0114   -0.0138    0.0021    0.0012
 AT.  99 O  X     0.0010    0.0076    0.0035   -0.0020    0.0024   -0.0081
            Y    -0.0019    0.0052    0.0039   -0.0051    0.0004   -0.0064
            Z     0.0167   -0.0037   -0.0114    0.0138    0.0021    0.0012
 AT. 100 O  X     0.0010   -0.0076    0.0035   -0.0020   -0.0024   -0.0081
            Y    -0.0019   -0.0052    0.0039   -0.0051   -0.0004   -0.0064
            Z    -0.0167   -0.0037    0.0114   -0.0138    0.0021   -0.0012
 AT. 101 O  X     0.0071    0.0084    0.0029    0.0087    0.0010    0.0053
            Y    -0.0040    0.0010   -0.0026    0.0055   -0.0020   -0.0007
            Z    -0.0085   -0.0047   -0.0084    0.0053    0.0024   -0.0032
 AT. 102 O  X     0.0071   -0.0084    0.0029    0.0087   -0.0010    0.0053
            Y    -0.0040   -0.0010   -0.0026    0.0055    0.0020   -0.0007
            Z     0.0085   -0.0047    0.0084   -0.0053    0.0024    0.0032
 AT. 103 O  X    -0.0071    0.0084    0.0029   -0.0087   -0.0010    0.0053
            Y    -0.0040   -0.0010    0.0026    0.0055   -0.0020    0.0007
            Z    -0.0085    0.0047    0.0084    0.0053    0.0024    0.0032
 AT. 104 O  X    -0.0071   -0.0084    0.0029   -0.0087    0.0010    0.0053
            Y    -0.0040    0.0010    0.0026    0.0055    0.0020    0.0007
            Z     0.0085    0.0047   -0.0084   -0.0053    0.0024   -0.0032
 AT. 105 O  X    -0.0071    0.0084   -0.0029    0.0087    0.0010    0.0053
            Y     0.0040    0.0010    0.0026    0.0055   -0.0020   -0.0007
            Z     0.0085   -0.0047    0.0084    0.0053    0.0024   -0.0032
 AT. 106 O  X    -0.0071   -0.0084   -0.0029    0.0087   -0.0010    0.0053
            Y     0.0040   -0.0010    0.0026    0.0055    0.0020   -0.0007
            Z    -0.0085   -0.0047   -0.0084   -0.0053    0.0024    0.0032
 AT. 107 O  X     0.0071    0.0084   -0.0029   -0.0087   -0.0010    0.0053
            Y     0.0040   -0.0010   -0.0026    0.0055   -0.0020    0.0007
            Z     0.0085    0.0047   -0.0084    0.0053    0.0024    0.0032
 AT. 108 O  X     0.0071   -0.0084   -0.0029   -0.0087    0.0010    0.0053
            Y     0.0040    0.0010   -0.0026    0.0055    0.0020    0.0007
            Z    -0.0085    0.0047    0.0084   -0.0053    0.0024   -0.0032
 AT. 109 O  X     0.0094    0.0043    0.0021   -0.0015   -0.0009   -0.0004
            Y     0.0027   -0.0037    0.0186   -0.0228   -0.0085    0.0133
            Z     0.0214    0.0100   -0.0009    0.0014    0.0028   -0.0051
 AT. 110 O  X     0.0094   -0.0043    0.0021   -0.0015    0.0009   -0.0004
            Y     0.0027    0.0037    0.0186   -0.0228    0.0085    0.0133
            Z    -0.0214    0.0100    0.0009   -0.0014    0.0028    0.0051
 AT. 111 O  X    -0.0094    0.0043    0.0021    0.0015    0.0009   -0.0004
            Y     0.0027    0.0037   -0.0186   -0.0228   -0.0085   -0.0133
            Z     0.0214   -0.0100    0.0009    0.0014    0.0028    0.0051
 AT. 112 O  X    -0.0094   -0.0043    0.0021    0.0015   -0.0009   -0.0004
            Y     0.0027   -0.0037   -0.0186   -0.0228    0.0085   -0.0133
            Z    -0.0214   -0.0100   -0.0009   -0.0014    0.0028   -0.0051
 AT. 113 O  X    -0.0094    0.0043   -0.0021   -0.0015   -0.0009   -0.0004
            Y    -0.0027   -0.0037   -0.0186   -0.0228   -0.0085    0.0133
            Z    -0.0214    0.0100    0.0009    0.0014    0.0028   -0.0051
 AT. 114 O  X    -0.0094   -0.0043   -0.0021   -0.0015    0.0009   -0.0004
            Y    -0.0027    0.0037   -0.0186   -0.0228    0.0085    0.0133
            Z     0.0214    0.0100   -0.0009   -0.0014    0.0028    0.0051
 AT. 115 O  X     0.0094    0.0043   -0.0021    0.0015    0.0009   -0.0004
            Y    -0.0027    0.0037    0.0186   -0.0228   -0.0085   -0.0133
            Z    -0.0214   -0.0100   -0.0009    0.0014    0.0028    0.0051
 AT. 116 O  X     0.0094   -0.0043   -0.0021    0.0015   -0.0009   -0.0004
            Y    -0.0027   -0.0037    0.0186   -0.0228    0.0085   -0.0133
            Z     0.0214   -0.0100    0.0009   -0.0014    0.0028   -0.0051
 AT. 117 O  X    -0.0054   -0.0027   -0.0024   -0.0068   -0.0028   -0.0151
            Y     0.0065    0.0133    0.0018    0.0125    0.0037    0.0202
            Z     0.0025    0.0024    0.0091    0.0053   -0.0062   -0.0026
 AT. 118 O  X    -0.0054    0.0027   -0.0024   -0.0068    0.0028   -0.0151
            Y     0.0065   -0.0133    0.0018    0.0125   -0.0037    0.0202
            Z    -0.0025    0.0024   -0.0091   -0.0053   -0.0062    0.0026
 AT. 119 O  X     0.0054   -0.0027   -0.0024    0.0068    0.0028   -0.0151
            Y     0.0065   -0.0133   -0.0018    0.0125    0.0037   -0.0202
            Z     0.0025   -0.0024   -0.0091    0.0053   -0.0062    0.0026
 AT. 120 O  X     0.0054    0.0027   -0.0024    0.0068   -0.0028   -0.0151
            Y     0.0065    0.0133   -0.0018    0.0125   -0.0037   -0.0202
            Z    -0.0025   -0.0024    0.0091   -0.0053   -0.0062   -0.0026
 AT. 121 O  X     0.0054   -0.0027    0.0024   -0.0068   -0.0028   -0.0151
            Y    -0.0065    0.0133   -0.0018    0.0125    0.0037    0.0202
            Z    -0.0025    0.0024   -0.0091    0.0053   -0.0062   -0.0026
 AT. 122 O  X     0.0054    0.0027    0.0024   -0.0068    0.0028   -0.0151
            Y    -0.0065   -0.0133   -0.0018    0.0125   -0.0037    0.0202
            Z     0.0025    0.0024    0.0091   -0.0053   -0.0062    0.0026
 AT. 123 O  X    -0.0054   -0.0027    0.0024    0.0068    0.0028   -0.0151
            Y    -0.0065   -0.0133    0.0018    0.0125    0.0037   -0.0202
            Z    -0.0025   -0.0024    0.0091    0.0053   -0.0062    0.0026
 AT. 124 O  X    -0.0054    0.0027    0.0024    0.0068   -0.0028   -0.0151
            Y    -0.0065    0.0133    0.0018    0.0125   -0.0037   -0.0202
            Z     0.0025   -0.0024   -0.0091   -0.0053   -0.0062   -0.0026

 FREQ(CM**-1)    369.07    376.60    382.22    384.26    387.79    388.42

 AT.   1 SI X    -0.0001   -0.0005   -0.0005   -0.0007   -0.0019   -0.0019
            Y     0.0004    0.0019   -0.0008   -0.0057    0.0005    0.0004
            Z    -0.0067    0.0010   -0.0001   -0.0022   -0.0005   -0.0155
 AT.   2 SI X     0.0001   -0.0005    0.0005    0.0007   -0.0019   -0.0019
            Y    -0.0004    0.0019    0.0008    0.0057    0.0005    0.0004
            Z    -0.0067   -0.0010   -0.0001   -0.0022    0.0005    0.0155
 AT.   3 SI X    -0.0001    0.0005    0.0005   -0.0007   -0.0019    0.0019
            Y    -0.0004    0.0019   -0.0008    0.0057   -0.0005    0.0004
            Z     0.0067    0.0010   -0.0001    0.0022    0.0005   -0.0155
 AT.   4 SI X     0.0001    0.0005   -0.0005    0.0007   -0.0019    0.0019
            Y     0.0004    0.0019    0.0008   -0.0057   -0.0005    0.0004
            Z     0.0067   -0.0010   -0.0001    0.0022   -0.0005    0.0155
 AT.   5 SI X     0.0001    0.0005    0.0005   -0.0007    0.0019   -0.0019
            Y    -0.0004   -0.0019    0.0008   -0.0057   -0.0005    0.0004
            Z     0.0067   -0.0010    0.0001   -0.0022    0.0005   -0.0155
 AT.   6 SI X    -0.0001    0.0005   -0.0005    0.0007    0.0019   -0.0019
            Y     0.0004   -0.0019   -0.0008    0.0057   -0.0005    0.0004
            Z     0.0067    0.0010    0.0001   -0.0022   -0.0005    0.0155
 AT.   7 SI X     0.0001   -0.0005   -0.0005   -0.0007    0.0019    0.0019
            Y     0.0004   -0.0019    0.0008    0.0057    0.0005    0.0004
            Z    -0.0067   -0.0010    0.0001    0.0022   -0.0005   -0.0155
 AT.   8 SI X    -0.0001   -0.0005    0.0005    0.0007    0.0019    0.0019
            Y    -0.0004   -0.0019   -0.0008   -0.0057    0.0005    0.0004
            Z    -0.0067    0.0010    0.0001    0.0022    0.0005    0.0155
 AT.   9 SI X     0.0004   -0.0022   -0.0009    0.0018    0.0009   -0.0009
            Y     0.0024    0.0070   -0.0029   -0.0059    0.0000   -0.0014
            Z    -0.0102   -0.0036    0.0022    0.0041   -0.0024   -0.0065
 AT.  10 SI X    -0.0004   -0.0022    0.0009   -0.0018    0.0009   -0.0009
            Y    -0.0024    0.0070    0.0029    0.0059    0.0000   -0.0014
            Z    -0.0102    0.0036    0.0022    0.0041    0.0024    0.0065
 AT.  11 SI X     0.0004    0.0022    0.0009    0.0018    0.0009    0.0009
            Y    -0.0024    0.0070   -0.0029    0.0059    0.0000   -0.0014
            Z     0.0102   -0.0036    0.0022   -0.0041    0.0024   -0.0065
 AT.  12 SI X    -0.0004    0.0022   -0.0009   -0.0018    0.0009    0.0009
            Y     0.0024    0.0070    0.0029   -0.0059    0.0000   -0.0014
            Z     0.0102    0.0036    0.0022   -0.0041   -0.0024    0.0065
 AT.  13 SI X    -0.0004    0.0022    0.0009    0.0018   -0.0009   -0.0009
            Y    -0.0024   -0.0070    0.0029   -0.0059    0.0000   -0.0014
            Z     0.0102    0.0036   -0.0022    0.0041    0.0024   -0.0065
 AT.  14 SI X     0.0004    0.0022   -0.0009   -0.0018   -0.0009   -0.0009
            Y     0.0024   -0.0070   -0.0029    0.0059    0.0000   -0.0014
            Z     0.0102   -0.0036   -0.0022    0.0041   -0.0024    0.0065
 AT.  15 SI X    -0.0004   -0.0022   -0.0009    0.0018   -0.0009    0.0009
            Y     0.0024   -0.0070    0.0029    0.0059    0.0000   -0.0014
            Z    -0.0102    0.0036   -0.0022   -0.0041   -0.0024   -0.0065
 AT.  16 SI X     0.0004   -0.0022    0.0009   -0.0018   -0.0009    0.0009
            Y    -0.0024   -0.0070   -0.0029   -0.0059    0.0000   -0.0014
            Z    -0.0102   -0.0036   -0.0022   -0.0041    0.0024    0.0065
 AT.  17 SI X     0.0000    0.0000   -0.0048    0.0000    0.0004    0.0000
            Y    -0.0067   -0.0156    0.0000    0.0102    0.0000    0.0027
            Z     0.0000    0.0000   -0.0059    0.0000    0.0005    0.0000
 AT.  18 SI X     0.0000    0.0000    0.0048    0.0000    0.0004    0.0000
            Y     0.0067   -0.0156    0.0000   -0.0102    0.0000    0.0027
            Z     0.0000    0.0000   -0.0059    0.0000   -0.0005    0.0000
 AT.  19 SI X     0.0000    0.0000    0.0048    0.0000   -0.0004    0.0000
            Y     0.0067    0.0156    0.0000    0.0102    0.0000    0.0027
            Z     0.0000    0.0000    0.0059    0.0000   -0.0005    0.0000
 AT.  20 SI X     0.0000    0.0000   -0.0048    0.0000   -0.0004    0.0000
            Y    -0.0067    0.0156    0.0000   -0.0102    0.0000    0.0027
            Z     0.0000    0.0000    0.0059    0.0000    0.0005    0.0000
 AT.  21 CA X     0.0002   -0.0014   -0.0013    0.0010    0.0045   -0.0031
            Y     0.0030   -0.0012    0.0013    0.0045   -0.0009   -0.0021
            Z     0.0007   -0.0003   -0.0006    0.0011    0.0002    0.0075
 AT.  22 CA X    -0.0002   -0.0014    0.0013   -0.0010    0.0045   -0.0031
            Y    -0.0030   -0.0012   -0.0013   -0.0045   -0.0009   -0.0021
            Z     0.0007    0.0003   -0.0006    0.0011   -0.0002   -0.0075
 AT.  23 CA X     0.0002    0.0014    0.0013    0.0010    0.0045    0.0031
            Y    -0.0030   -0.0012    0.0013   -0.0045    0.0009   -0.0021
            Z    -0.0007   -0.0003   -0.0006   -0.0011   -0.0002    0.0075
 AT.  24 CA X    -0.0002    0.0014   -0.0013   -0.0010    0.0045    0.0031
            Y     0.0030   -0.0012   -0.0013    0.0045    0.0009   -0.0021
            Z    -0.0007    0.0003   -0.0006   -0.0011    0.0002   -0.0075
 AT.  25 CA X    -0.0002    0.0014    0.0013    0.0010   -0.0045   -0.0031
            Y    -0.0030    0.0012   -0.0013    0.0045    0.0009   -0.0021
            Z    -0.0007    0.0003    0.0006    0.0011   -0.0002    0.0075
 AT.  26 CA X     0.0002    0.0014   -0.0013   -0.0010   -0.0045   -0.0031
            Y     0.0030    0.0012    0.0013   -0.0045    0.0009   -0.0021
            Z    -0.0007   -0.0003    0.0006    0.0011    0.0002   -0.0075
 AT.  27 CA X    -0.0002   -0.0014   -0.0013    0.0010   -0.0045    0.0031
            Y     0.0030    0.0012   -0.0013   -0.0045   -0.0009   -0.0021
            Z     0.0007    0.0003    0.0006   -0.0011    0.0002    0.0075
 AT.  28 CA X     0.0002   -0.0014    0.0013   -0.0010   -0.0045    0.0031
            Y    -0.0030    0.0012    0.0013    0.0045   -0.0009   -0.0021
            Z     0.0007   -0.0003    0.0006   -0.0011   -0.0002   -0.0075
 AT.  29 CA X     0.0000    0.0000    0.0000    0.0070    0.0000    0.0112
            Y     0.0000    0.0000    0.0000    0.0059    0.0000    0.0071
            Z     0.0000    0.0000    0.0000    0.0122    0.0000    0.0149
 AT.  30 CA X     0.0000    0.0000    0.0000   -0.0070    0.0000    0.0112
            Y     0.0000    0.0000    0.0000   -0.0059    0.0000    0.0071
            Z     0.0000    0.0000    0.0000    0.0122    0.0000   -0.0149
 AT.  31 CA X     0.0000    0.0000    0.0000    0.0070    0.0000   -0.0112
            Y     0.0000    0.0000    0.0000   -0.0059    0.0000    0.0071
            Z     0.0000    0.0000    0.0000   -0.0122    0.0000    0.0149
 AT.  32 CA X     0.0000    0.0000    0.0000   -0.0070    0.0000   -0.0112
            Y     0.0000    0.0000    0.0000    0.0059    0.0000    0.0071
            Z     0.0000    0.0000    0.0000   -0.0122    0.0000   -0.0149
 AT.  33 CA X    -0.0071   -0.0003    0.0029    0.0027    0.0003   -0.0024
            Y    -0.0068   -0.0045    0.0024    0.0061   -0.0005   -0.0027
            Z     0.0124    0.0050   -0.0050   -0.0078    0.0016    0.0047
 AT.  34 CA X     0.0071   -0.0003   -0.0029   -0.0027    0.0003   -0.0024
            Y     0.0068   -0.0045   -0.0024   -0.0061   -0.0005   -0.0027
            Z     0.0124   -0.0050   -0.0050   -0.0078   -0.0016   -0.0047
 AT.  35 CA X    -0.0071    0.0003   -0.0029    0.0027    0.0003    0.0024
            Y     0.0068   -0.0045    0.0024   -0.0061    0.0005   -0.0027
            Z    -0.0124    0.0050   -0.0050    0.0078   -0.0016    0.0047
 AT.  36 CA X     0.0071    0.0003    0.0029   -0.0027    0.0003    0.0024
            Y    -0.0068   -0.0045   -0.0024    0.0061    0.0005   -0.0027
            Z    -0.0124   -0.0050   -0.0050    0.0078    0.0016   -0.0047
 AT.  37 CA X     0.0071    0.0003   -0.0029    0.0027   -0.0003   -0.0024
            Y     0.0068    0.0045   -0.0024    0.0061    0.0005   -0.0027
            Z    -0.0124   -0.0050    0.0050   -0.0078   -0.0016    0.0047
 AT.  38 CA X    -0.0071    0.0003    0.0029   -0.0027   -0.0003   -0.0024
            Y    -0.0068    0.0045    0.0024   -0.0061    0.0005   -0.0027
            Z    -0.0124    0.0050    0.0050   -0.0078    0.0016   -0.0047
 AT.  39 CA X     0.0071   -0.0003    0.0029    0.0027   -0.0003    0.0024
            Y    -0.0068    0.0045   -0.0024   -0.0061   -0.0005   -0.0027
            Z     0.0124   -0.0050    0.0050    0.0078    0.0016    0.0047
 AT.  40 CA X    -0.0071   -0.0003   -0.0029   -0.0027   -0.0003    0.0024
            Y     0.0068    0.0045    0.0024    0.0061   -0.0005   -0.0027
            Z     0.0124    0.0050    0.0050    0.0078   -0.0016   -0.0047
 AT.  41 CA X     0.0036    0.0032    0.0081   -0.0018   -0.0012    0.0023
            Y     0.0027   -0.0034    0.0052    0.0035   -0.0002    0.0037
            Z     0.0055   -0.0004   -0.0086    0.0007    0.0012    0.0060
 AT.  42 CA X    -0.0036    0.0032   -0.0081    0.0018   -0.0012    0.0023
            Y    -0.0027   -0.0034   -0.0052   -0.0035   -0.0002    0.0037
            Z     0.0055    0.0004   -0.0086    0.0007   -0.0012   -0.0060
 AT.  43 CA X     0.0036   -0.0032   -0.0081   -0.0018   -0.0012   -0.0023
            Y    -0.0027   -0.0034    0.0052   -0.0035    0.0002    0.0037
            Z    -0.0055   -0.0004   -0.0086   -0.0007   -0.0012    0.0060
 AT.  44 CA X    -0.0036   -0.0032    0.0081    0.0018   -0.0012   -0.0023
            Y     0.0027   -0.0034   -0.0052    0.0035    0.0002    0.0037
            Z    -0.0055    0.0004   -0.0086   -0.0007    0.0012   -0.0060
 AT.  45 CA X    -0.0036   -0.0032   -0.0081   -0.0018    0.0012    0.0023
            Y    -0.0027    0.0034   -0.0052    0.0035    0.0002    0.0037
            Z    -0.0055    0.0004    0.0086    0.0007   -0.0012    0.0060
 AT.  46 CA X     0.0036   -0.0032    0.0081    0.0018    0.0012    0.0023
            Y     0.0027    0.0034    0.0052   -0.0035    0.0002    0.0037
            Z    -0.0055   -0.0004    0.0086    0.0007    0.0012   -0.0060
 AT.  47 CA X    -0.0036    0.0032    0.0081   -0.0018    0.0012   -0.0023
            Y     0.0027    0.0034   -0.0052   -0.0035   -0.0002    0.0037
            Z     0.0055    0.0004    0.0086   -0.0007    0.0012    0.0060
 AT.  48 CA X     0.0036    0.0032   -0.0081    0.0018    0.0012   -0.0023
            Y    -0.0027    0.0034    0.0052    0.0035   -0.0002    0.0037
            Z     0.0055   -0.0004    0.0086   -0.0007   -0.0012   -0.0060
 AT.  49 CA X     0.0000    0.0000    0.0029    0.0000   -0.0007    0.0000
            Y     0.0032   -0.0137    0.0000    0.0089    0.0000   -0.0024
            Z     0.0000    0.0000   -0.0003    0.0000    0.0007    0.0000
 AT.  50 CA X     0.0000    0.0000   -0.0029    0.0000   -0.0007    0.0000
            Y    -0.0032   -0.0137    0.0000   -0.0089    0.0000   -0.0024
            Z     0.0000    0.0000   -0.0003    0.0000   -0.0007    0.0000
 AT.  51 CA X     0.0000    0.0000   -0.0029    0.0000    0.0007    0.0000
            Y    -0.0032    0.0137    0.0000    0.0089    0.0000   -0.0024
            Z     0.0000    0.0000    0.0003    0.0000   -0.0007    0.0000
 AT.  52 CA X     0.0000    0.0000    0.0029    0.0000    0.0007    0.0000
            Y     0.0032    0.0137    0.0000   -0.0089    0.0000   -0.0024
            Z     0.0000    0.0000    0.0003    0.0000    0.0007    0.0000
 AT.  53 O  X     0.0038    0.0056    0.0013   -0.0086   -0.0223    0.0054
            Y    -0.0015   -0.0014   -0.0010   -0.0005    0.0072   -0.0018
            Z    -0.0080    0.0034   -0.0053    0.0012    0.0066   -0.0123
 AT.  54 O  X    -0.0038    0.0056   -0.0013    0.0086   -0.0223    0.0054
            Y     0.0015   -0.0014    0.0010    0.0005    0.0072   -0.0018
            Z    -0.0080   -0.0034   -0.0053    0.0012   -0.0066    0.0123
 AT.  55 O  X     0.0038   -0.0056   -0.0013   -0.0086   -0.0223   -0.0054
            Y     0.0015   -0.0014   -0.0010    0.0005   -0.0072   -0.0018
            Z     0.0080    0.0034   -0.0053   -0.0012   -0.0066   -0.0123
 AT.  56 O  X    -0.0038   -0.0056    0.0013    0.0086   -0.0223   -0.0054
            Y    -0.0015   -0.0014    0.0010   -0.0005   -0.0072   -0.0018
            Z     0.0080   -0.0034   -0.0053   -0.0012    0.0066    0.0123
 AT.  57 O  X    -0.0038   -0.0056   -0.0013   -0.0086    0.0223    0.0054
            Y     0.0015    0.0014    0.0010   -0.0005   -0.0072   -0.0018
            Z     0.0080   -0.0034    0.0053    0.0012   -0.0066   -0.0123
 AT.  58 O  X     0.0038   -0.0056    0.0013    0.0086    0.0223    0.0054
            Y    -0.0015    0.0014   -0.0010    0.0005   -0.0072   -0.0018
            Z     0.0080    0.0034    0.0053    0.0012    0.0066    0.0123
 AT.  59 O  X    -0.0038    0.0056    0.0013   -0.0086    0.0223   -0.0054
            Y    -0.0015    0.0014    0.0010    0.0005    0.0072   -0.0018
            Z    -0.0080   -0.0034    0.0053   -0.0012    0.0066   -0.0123
 AT.  60 O  X     0.0038    0.0056   -0.0013    0.0086    0.0223   -0.0054
            Y     0.0015    0.0014   -0.0010   -0.0005    0.0072   -0.0018
            Z    -0.0080    0.0034    0.0053   -0.0012   -0.0066    0.0123
 AT.  61 O  X    -0.0009   -0.0074    0.0074   -0.0012   -0.0031   -0.0066
            Y    -0.0030   -0.0010    0.0033   -0.0059   -0.0131   -0.0017
            Z    -0.0027   -0.0016    0.0010   -0.0015    0.0079   -0.0129
 AT.  62 O  X     0.0009   -0.0074   -0.0074    0.0012   -0.0031   -0.0066
            Y     0.0030   -0.0010   -0.0033    0.0059   -0.0131   -0.0017
            Z    -0.0027    0.0016    0.0010   -0.0015   -0.0079    0.0129
 AT.  63 O  X    -0.0009    0.0074   -0.0074   -0.0012   -0.0031    0.0066
            Y     0.0030   -0.0010    0.0033    0.0059    0.0131   -0.0017
            Z     0.0027   -0.0016    0.0010    0.0015   -0.0079   -0.0129
 AT.  64 O  X     0.0009    0.0074    0.0074    0.0012   -0.0031    0.0066
            Y    -0.0030   -0.0010   -0.0033   -0.0059    0.0131   -0.0017
            Z     0.0027    0.0016    0.0010    0.0015    0.0079    0.0129
 AT.  65 O  X     0.0009    0.0074   -0.0074   -0.0012    0.0031   -0.0066
            Y     0.0030    0.0010   -0.0033   -0.0059    0.0131   -0.0017
            Z     0.0027    0.0016   -0.0010   -0.0015   -0.0079   -0.0129
 AT.  66 O  X    -0.0009    0.0074    0.0074    0.0012    0.0031   -0.0066
            Y    -0.0030    0.0010    0.0033    0.0059    0.0131   -0.0017
            Z     0.0027   -0.0016   -0.0010   -0.0015    0.0079    0.0129
 AT.  67 O  X     0.0009   -0.0074    0.0074   -0.0012    0.0031    0.0066
            Y    -0.0030    0.0010   -0.0033    0.0059   -0.0131   -0.0017
            Z    -0.0027    0.0016   -0.0010    0.0015    0.0079   -0.0129
 AT.  68 O  X    -0.0009   -0.0074   -0.0074    0.0012    0.0031    0.0066
            Y     0.0030    0.0010    0.0033   -0.0059   -0.0131   -0.0017
            Z    -0.0027   -0.0016   -0.0010    0.0015   -0.0079    0.0129
 AT.  69 O  X     0.0028    0.0040   -0.0111    0.0007    0.0256   -0.0068
            Y     0.0005    0.0053   -0.0040   -0.0054    0.0045    0.0066
            Z    -0.0082   -0.0001    0.0035   -0.0023   -0.0077   -0.0073
 AT.  70 O  X    -0.0028    0.0040    0.0111   -0.0007    0.0256   -0.0068
            Y    -0.0005    0.0053    0.0040    0.0054    0.0045    0.0066
            Z    -0.0082    0.0001    0.0035   -0.0023    0.0077    0.0073
 AT.  71 O  X     0.0028   -0.0040    0.0111    0.0007    0.0256    0.0068
            Y    -0.0005    0.0053   -0.0040    0.0054   -0.0045    0.0066
            Z     0.0082   -0.0001    0.0035    0.0023    0.0077   -0.0073
 AT.  72 O  X    -0.0028   -0.0040   -0.0111   -0.0007    0.0256    0.0068
            Y     0.0005    0.0053    0.0040   -0.0054   -0.0045    0.0066
            Z     0.0082    0.0001    0.0035    0.0023   -0.0077    0.0073
 AT.  73 O  X    -0.0028   -0.0040    0.0111    0.0007   -0.0256   -0.0068
            Y    -0.0005   -0.0053    0.0040   -0.0054   -0.0045    0.0066
            Z     0.0082    0.0001   -0.0035   -0.0023    0.0077   -0.0073
 AT.  74 O  X     0.0028   -0.0040   -0.0111   -0.0007   -0.0256   -0.0068
            Y     0.0005   -0.0053   -0.0040    0.0054   -0.0045    0.0066
            Z     0.0082   -0.0001   -0.0035   -0.0023   -0.0077    0.0073
 AT.  75 O  X    -0.0028    0.0040   -0.0111    0.0007   -0.0256    0.0068
            Y     0.0005   -0.0053    0.0040    0.0054    0.0045    0.0066
            Z    -0.0082    0.0001   -0.0035    0.0023   -0.0077   -0.0073
 AT.  76 O  X     0.0028    0.0040    0.0111   -0.0007   -0.0256    0.0068
            Y    -0.0005   -0.0053   -0.0040   -0.0054    0.0045    0.0066
            Z    -0.0082   -0.0001   -0.0035    0.0023    0.0077    0.0073
 AT.  77 O  X     0.0000   -0.0004   -0.0008   -0.0017   -0.0015   -0.0035
            Y    -0.0006   -0.0038   -0.0008    0.0039    0.0141   -0.0088
            Z     0.0015   -0.0038    0.0079   -0.0019   -0.0173    0.0058
 AT.  78 O  X     0.0000   -0.0004    0.0008    0.0017   -0.0015   -0.0035
            Y     0.0006   -0.0038    0.0008   -0.0039    0.0141   -0.0088
            Z     0.0015    0.0038    0.0079   -0.0019    0.0173   -0.0058
 AT.  79 O  X     0.0000    0.0004    0.0008   -0.0017   -0.0015    0.0035
            Y     0.0006   -0.0038   -0.0008   -0.0039   -0.0141   -0.0088
            Z    -0.0015   -0.0038    0.0079    0.0019    0.0173    0.0058
 AT.  80 O  X     0.0000    0.0004   -0.0008    0.0017   -0.0015    0.0035
            Y    -0.0006   -0.0038    0.0008    0.0039   -0.0141   -0.0088
            Z    -0.0015    0.0038    0.0079    0.0019   -0.0173   -0.0058
 AT.  81 O  X     0.0000    0.0004    0.0008   -0.0017    0.0015   -0.0035
            Y     0.0006    0.0038    0.0008    0.0039   -0.0141   -0.0088
            Z    -0.0015    0.0038   -0.0079   -0.0019    0.0173    0.0058
 AT.  82 O  X     0.0000    0.0004   -0.0008    0.0017    0.0015   -0.0035
            Y    -0.0006    0.0038   -0.0008   -0.0039   -0.0141   -0.0088
            Z    -0.0015   -0.0038   -0.0079   -0.0019   -0.0173   -0.0058
 AT.  83 O  X     0.0000   -0.0004   -0.0008   -0.0017    0.0015    0.0035
            Y    -0.0006    0.0038    0.0008   -0.0039    0.0141   -0.0088
            Z     0.0015    0.0038   -0.0079    0.0019   -0.0173    0.0058
 AT.  84 O  X     0.0000   -0.0004    0.0008    0.0017    0.0015    0.0035
            Y     0.0006    0.0038   -0.0008    0.0039    0.0141   -0.0088
            Z     0.0015   -0.0038   -0.0079    0.0019    0.0173   -0.0058
 AT.  85 O  X     0.0149    0.0204   -0.0017   -0.0203   -0.0053    0.0087
            Y    -0.0062    0.0010   -0.0023   -0.0004    0.0022   -0.0036
            Z     0.0033    0.0115    0.0022   -0.0093   -0.0064    0.0009
 AT.  86 O  X    -0.0149    0.0204    0.0017    0.0203   -0.0053    0.0087
            Y     0.0062    0.0010    0.0023    0.0004    0.0022   -0.0036
            Z     0.0033   -0.0115    0.0022   -0.0093    0.0064   -0.0009
 AT.  87 O  X     0.0149   -0.0204    0.0017   -0.0203   -0.0053   -0.0087
            Y     0.0062    0.0010   -0.0023    0.0004   -0.0022   -0.0036
            Z    -0.0033    0.0115    0.0022    0.0093    0.0064    0.0009
 AT.  88 O  X    -0.0149   -0.0204   -0.0017    0.0203   -0.0053   -0.0087
            Y    -0.0062    0.0010    0.0023   -0.0004   -0.0022   -0.0036
            Z    -0.0033   -0.0115    0.0022    0.0093   -0.0064   -0.0009
 AT.  89 O  X    -0.0149   -0.0204    0.0017   -0.0203    0.0053    0.0087
            Y     0.0062   -0.0010    0.0023   -0.0004   -0.0022   -0.0036
            Z    -0.0033   -0.0115   -0.0022   -0.0093    0.0064    0.0009
 AT.  90 O  X     0.0149   -0.0204   -0.0017    0.0203    0.0053    0.0087
            Y    -0.0062   -0.0010   -0.0023    0.0004   -0.0022   -0.0036
            Z    -0.0033    0.0115   -0.0022   -0.0093   -0.0064   -0.0009
 AT.  91 O  X    -0.0149    0.0204   -0.0017   -0.0203    0.0053   -0.0087
            Y    -0.0062   -0.0010    0.0023    0.0004    0.0022   -0.0036
            Z     0.0033   -0.0115   -0.0022    0.0093   -0.0064    0.0009
 AT.  92 O  X     0.0149    0.0204    0.0017    0.0203    0.0053   -0.0087
            Y     0.0062   -0.0010   -0.0023   -0.0004    0.0022   -0.0036
            Z     0.0033    0.0115   -0.0022    0.0093    0.0064   -0.0009
 AT.  93 O  X    -0.0012   -0.0109   -0.0091    0.0105    0.0052   -0.0032
            Y     0.0026    0.0089    0.0007   -0.0074   -0.0016   -0.0019
            Z    -0.0117   -0.0103    0.0051    0.0074   -0.0025    0.0011
 AT.  94 O  X     0.0012   -0.0109    0.0091   -0.0105    0.0052   -0.0032
            Y    -0.0026    0.0089   -0.0007    0.0074   -0.0016   -0.0019
            Z    -0.0117    0.0103    0.0051    0.0074    0.0025   -0.0011
 AT.  95 O  X    -0.0012    0.0109    0.0091    0.0105    0.0052    0.0032
            Y    -0.0026    0.0089    0.0007    0.0074    0.0016   -0.0019
            Z     0.0117   -0.0103    0.0051   -0.0074    0.0025    0.0011
 AT.  96 O  X     0.0012    0.0109   -0.0091   -0.0105    0.0052    0.0032
            Y     0.0026    0.0089   -0.0007   -0.0074    0.0016   -0.0019
            Z     0.0117    0.0103    0.0051   -0.0074   -0.0025   -0.0011
 AT.  97 O  X     0.0012    0.0109    0.0091    0.0105   -0.0052   -0.0032
            Y    -0.0026   -0.0089   -0.0007   -0.0074    0.0016   -0.0019
            Z     0.0117    0.0103   -0.0051    0.0074    0.0025    0.0011
 AT.  98 O  X    -0.0012    0.0109   -0.0091   -0.0105   -0.0052   -0.0032
            Y     0.0026   -0.0089    0.0007    0.0074    0.0016   -0.0019
            Z     0.0117   -0.0103   -0.0051    0.0074   -0.0025   -0.0011
 AT.  99 O  X     0.0012   -0.0109   -0.0091    0.0105   -0.0052    0.0032
            Y     0.0026   -0.0089   -0.0007    0.0074   -0.0016   -0.0019
            Z    -0.0117    0.0103   -0.0051   -0.0074   -0.0025    0.0011
 AT. 100 O  X    -0.0012   -0.0109    0.0091   -0.0105   -0.0052    0.0032
            Y    -0.0026   -0.0089    0.0007   -0.0074   -0.0016   -0.0019
            Z    -0.0117   -0.0103   -0.0051   -0.0074    0.0025   -0.0011
 AT. 101 O  X    -0.0077   -0.0127    0.0056    0.0097    0.0001   -0.0008
            Y    -0.0069   -0.0064   -0.0043    0.0074    0.0057   -0.0063
            Z    -0.0085   -0.0036    0.0016    0.0068    0.0044   -0.0088
 AT. 102 O  X     0.0077   -0.0127   -0.0056   -0.0097    0.0001   -0.0008
            Y     0.0069   -0.0064    0.0043   -0.0074    0.0057   -0.0063
            Z    -0.0085    0.0036    0.0016    0.0068   -0.0044    0.0088
 AT. 103 O  X    -0.0077    0.0127   -0.0056    0.0097    0.0001    0.0008
            Y     0.0069   -0.0064   -0.0043   -0.0074   -0.0057   -0.0063
            Z     0.0085   -0.0036    0.0016   -0.0068   -0.0044   -0.0088
 AT. 104 O  X     0.0077    0.0127    0.0056   -0.0097    0.0001    0.0008
            Y    -0.0069   -0.0064    0.0043    0.0074   -0.0057   -0.0063
            Z     0.0085    0.0036    0.0016   -0.0068    0.0044    0.0088
 AT. 105 O  X     0.0077    0.0127   -0.0056    0.0097   -0.0001   -0.0008
            Y     0.0069    0.0064    0.0043    0.0074   -0.0057   -0.0063
            Z     0.0085    0.0036   -0.0016    0.0068   -0.0044   -0.0088
 AT. 106 O  X    -0.0077    0.0127    0.0056   -0.0097   -0.0001   -0.0008
            Y    -0.0069    0.0064   -0.0043   -0.0074   -0.0057   -0.0063
            Z     0.0085   -0.0036   -0.0016    0.0068    0.0044    0.0088
 AT. 107 O  X     0.0077   -0.0127    0.0056    0.0097   -0.0001    0.0008
            Y    -0.0069    0.0064    0.0043   -0.0074    0.0057   -0.0063
            Z    -0.0085    0.0036   -0.0016   -0.0068    0.0044   -0.0088
 AT. 108 O  X    -0.0077   -0.0127   -0.0056   -0.0097   -0.0001    0.0008
            Y     0.0069    0.0064   -0.0043    0.0074    0.0057   -0.0063
            Z    -0.0085   -0.0036   -0.0016   -0.0068   -0.0044    0.0088
 AT. 109 O  X     0.0014   -0.0028   -0.0019    0.0019    0.0016   -0.0007
            Y     0.0229    0.0170    0.0048   -0.0168   -0.0050    0.0083
            Z     0.0004   -0.0037   -0.0040   -0.0009   -0.0009    0.0043
 AT. 110 O  X    -0.0014   -0.0028    0.0019   -0.0019    0.0016   -0.0007
            Y    -0.0229    0.0170   -0.0048    0.0168   -0.0050    0.0083
            Z     0.0004    0.0037   -0.0040   -0.0009    0.0009   -0.0043
 AT. 111 O  X     0.0014    0.0028    0.0019    0.0019    0.0016    0.0007
            Y    -0.0229    0.0170    0.0048    0.0168    0.0050    0.0083
            Z    -0.0004   -0.0037   -0.0040    0.0009    0.0009    0.0043
 AT. 112 O  X    -0.0014    0.0028   -0.0019   -0.0019    0.0016    0.0007
            Y     0.0229    0.0170   -0.0048   -0.0168    0.0050    0.0083
            Z    -0.0004    0.0037   -0.0040    0.0009   -0.0009   -0.0043
 AT. 113 O  X    -0.0014    0.0028    0.0019    0.0019   -0.0016   -0.0007
            Y    -0.0229   -0.0170   -0.0048   -0.0168    0.0050    0.0083
            Z    -0.0004    0.0037    0.0040   -0.0009    0.0009    0.0043
 AT. 114 O  X     0.0014    0.0028   -0.0019   -0.0019   -0.0016   -0.0007
            Y     0.0229   -0.0170    0.0048    0.0168    0.0050    0.0083
            Z    -0.0004   -0.0037    0.0040   -0.0009   -0.0009   -0.0043
 AT. 115 O  X    -0.0014   -0.0028   -0.0019    0.0019   -0.0016    0.0007
            Y     0.0229   -0.0170   -0.0048    0.0168   -0.0050    0.0083
            Z     0.0004    0.0037    0.0040    0.0009   -0.0009    0.0043
 AT. 116 O  X     0.0014   -0.0028    0.0019   -0.0019   -0.0016    0.0007
            Y    -0.0229   -0.0170    0.0048   -0.0168   -0.0050    0.0083
            Z     0.0004   -0.0037    0.0040    0.0009    0.0009   -0.0043
 AT. 117 O  X     0.0069    0.0026   -0.0187   -0.0017   -0.0047    0.0009
            Y    -0.0083   -0.0123    0.0269    0.0056    0.0075    0.0053
            Z    -0.0059   -0.0061   -0.0159    0.0062   -0.0009   -0.0026
 AT. 118 O  X    -0.0069    0.0026    0.0187    0.0017   -0.0047    0.0009
            Y     0.0083   -0.0123   -0.0269   -0.0056    0.0075    0.0053
            Z    -0.0059    0.0061   -0.0159    0.0062    0.0009    0.0026
 AT. 119 O  X     0.0069   -0.0026    0.0187   -0.0017   -0.0047   -0.0009
            Y     0.0083   -0.0123    0.0269   -0.0056   -0.0075    0.0053
            Z     0.0059   -0.0061   -0.0159   -0.0062    0.0009   -0.0026
 AT. 120 O  X    -0.0069   -0.0026   -0.0187    0.0017   -0.0047   -0.0009
            Y    -0.0083   -0.0123   -0.0269    0.0056   -0.0075    0.0053
            Z     0.0059    0.0061   -0.0159   -0.0062   -0.0009    0.0026
 AT. 121 O  X    -0.0069   -0.0026    0.0187   -0.0017    0.0047    0.0009
            Y     0.0083    0.0123   -0.0269    0.0056   -0.0075    0.0053
            Z     0.0059    0.0061    0.0159    0.0062    0.0009   -0.0026
 AT. 122 O  X     0.0069   -0.0026   -0.0187    0.0017    0.0047    0.0009
            Y    -0.0083    0.0123    0.0269   -0.0056   -0.0075    0.0053
            Z     0.0059   -0.0061    0.0159    0.0062   -0.0009    0.0026
 AT. 123 O  X    -0.0069    0.0026   -0.0187   -0.0017    0.0047   -0.0009
            Y    -0.0083    0.0123   -0.0269   -0.0056    0.0075    0.0053
            Z    -0.0059    0.0061    0.0159   -0.0062   -0.0009   -0.0026
 AT. 124 O  X     0.0069    0.0026    0.0187    0.0017    0.0047   -0.0009
            Y     0.0083    0.0123    0.0269    0.0056    0.0075    0.0053
            Z    -0.0059   -0.0061    0.0159   -0.0062    0.0009    0.0026

 FREQ(CM**-1)    388.60    389.91    391.32    394.24    395.79    396.02

 AT.   1 SI X     0.0009   -0.0021    0.0009    0.0007    0.0002   -0.0001
            Y     0.0058    0.0002   -0.0001    0.0006   -0.0001    0.0037
            Z     0.0024    0.0007    0.0050    0.0005    0.0031   -0.0013
 AT.   2 SI X     0.0009    0.0021   -0.0009    0.0007    0.0002    0.0001
            Y     0.0058   -0.0002    0.0001    0.0006   -0.0001   -0.0037
            Z    -0.0024    0.0007    0.0050   -0.0005   -0.0031   -0.0013
 AT.   3 SI X     0.0009   -0.0021   -0.0009    0.0007    0.0002    0.0001
            Y    -0.0058   -0.0002   -0.0001   -0.0006    0.0001    0.0037
            Z    -0.0024   -0.0007    0.0050   -0.0005   -0.0031   -0.0013
 AT.   4 SI X     0.0009    0.0021    0.0009    0.0007    0.0002   -0.0001
            Y    -0.0058    0.0002    0.0001   -0.0006    0.0001   -0.0037
            Z     0.0024   -0.0007    0.0050    0.0005    0.0031   -0.0013
 AT.   5 SI X     0.0009    0.0021    0.0009   -0.0007    0.0002    0.0001
            Y     0.0058   -0.0002   -0.0001   -0.0006   -0.0001   -0.0037
            Z     0.0024   -0.0007    0.0050   -0.0005    0.0031    0.0013
 AT.   6 SI X     0.0009   -0.0021   -0.0009   -0.0007    0.0002   -0.0001
            Y     0.0058    0.0002    0.0001   -0.0006   -0.0001    0.0037
            Z    -0.0024   -0.0007    0.0050    0.0005   -0.0031    0.0013
 AT.   7 SI X     0.0009    0.0021   -0.0009   -0.0007    0.0002   -0.0001
            Y    -0.0058    0.0002   -0.0001    0.0006    0.0001   -0.0037
            Z    -0.0024    0.0007    0.0050    0.0005   -0.0031    0.0013
 AT.   8 SI X     0.0009   -0.0021    0.0009   -0.0007    0.0002    0.0001
            Y    -0.0058   -0.0002    0.0001    0.0006    0.0001    0.0037
            Z     0.0024    0.0007    0.0050   -0.0005    0.0031    0.0013
 AT.   9 SI X     0.0005    0.0007   -0.0006   -0.0040    0.0032   -0.0025
            Y     0.0051    0.0017   -0.0033   -0.0018    0.0002    0.0001
            Z    -0.0023    0.0006   -0.0032   -0.0025   -0.0040    0.0035
 AT.  10 SI X     0.0005   -0.0007    0.0006   -0.0040    0.0032    0.0025
            Y     0.0051   -0.0017    0.0033   -0.0018    0.0002   -0.0001
            Z     0.0023    0.0006   -0.0032    0.0025    0.0040    0.0035
 AT.  11 SI X     0.0005    0.0007    0.0006   -0.0040    0.0032    0.0025
            Y    -0.0051   -0.0017   -0.0033    0.0018   -0.0002    0.0001
            Z     0.0023   -0.0006   -0.0032    0.0025    0.0040    0.0035
 AT.  12 SI X     0.0005   -0.0007   -0.0006   -0.0040    0.0032   -0.0025
            Y    -0.0051    0.0017    0.0033    0.0018   -0.0002   -0.0001
            Z    -0.0023   -0.0006   -0.0032   -0.0025   -0.0040    0.0035
 AT.  13 SI X     0.0005   -0.0007   -0.0006    0.0040    0.0032    0.0025
            Y     0.0051   -0.0017   -0.0033    0.0018    0.0002   -0.0001
            Z    -0.0023   -0.0006   -0.0032    0.0025   -0.0040   -0.0035
 AT.  14 SI X     0.0005    0.0007    0.0006    0.0040    0.0032   -0.0025
            Y     0.0051    0.0017    0.0033    0.0018    0.0002    0.0001
            Z     0.0023   -0.0006   -0.0032   -0.0025    0.0040   -0.0035
 AT.  15 SI X     0.0005   -0.0007    0.0006    0.0040    0.0032   -0.0025
            Y    -0.0051    0.0017   -0.0033   -0.0018   -0.0002   -0.0001
            Z     0.0023    0.0006   -0.0032   -0.0025    0.0040   -0.0035
 AT.  16 SI X     0.0005    0.0007   -0.0006    0.0040    0.0032    0.0025
            Y    -0.0051   -0.0017    0.0033   -0.0018   -0.0002    0.0001
            Z    -0.0023    0.0006   -0.0032    0.0025   -0.0040   -0.0035
 AT.  17 SI X     0.0059    0.0000   -0.0027   -0.0012   -0.0025    0.0022
            Y     0.0000   -0.0029    0.0000    0.0000    0.0000    0.0000
            Z     0.0045    0.0000   -0.0020   -0.0098    0.0054   -0.0030
 AT.  18 SI X     0.0059    0.0000    0.0027   -0.0012   -0.0025   -0.0022
            Y     0.0000    0.0029    0.0000    0.0000    0.0000    0.0000
            Z    -0.0045    0.0000   -0.0020    0.0098   -0.0054   -0.0030
 AT.  19 SI X     0.0059    0.0000   -0.0027    0.0012   -0.0025   -0.0022
            Y     0.0000    0.0029    0.0000    0.0000    0.0000    0.0000
            Z     0.0045    0.0000   -0.0020    0.0098    0.0054    0.0030
 AT.  20 SI X     0.0059    0.0000    0.0027    0.0012   -0.0025    0.0022
            Y     0.0000   -0.0029    0.0000    0.0000    0.0000    0.0000
            Z    -0.0045    0.0000   -0.0020   -0.0098   -0.0054    0.0030
 AT.  21 CA X     0.0002    0.0039    0.0014   -0.0012    0.0013   -0.0027
            Y    -0.0043   -0.0010    0.0006    0.0004   -0.0022    0.0021
            Z     0.0001   -0.0008   -0.0007   -0.0002    0.0010   -0.0004
 AT.  22 CA X     0.0002   -0.0039   -0.0014   -0.0012    0.0013    0.0027
            Y    -0.0043    0.0010   -0.0006    0.0004   -0.0022   -0.0021
            Z    -0.0001   -0.0008   -0.0007    0.0002   -0.0010   -0.0004
 AT.  23 CA X     0.0002    0.0039   -0.0014   -0.0012    0.0013    0.0027
            Y     0.0043    0.0010    0.0006   -0.0004    0.0022    0.0021
            Z    -0.0001    0.0008   -0.0007    0.0002   -0.0010   -0.0004
 AT.  24 CA X     0.0002   -0.0039    0.0014   -0.0012    0.0013   -0.0027
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            Z     0.0001    0.0008   -0.0007   -0.0002    0.0010   -0.0004
 AT.  25 CA X     0.0002   -0.0039    0.0014    0.0012    0.0013    0.0027
            Y    -0.0043    0.0010    0.0006   -0.0004   -0.0022   -0.0021
            Z     0.0001    0.0008   -0.0007    0.0002    0.0010    0.0004
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            Y    -0.0043   -0.0010   -0.0006   -0.0004   -0.0022    0.0021
            Z    -0.0001    0.0008   -0.0007   -0.0002   -0.0010    0.0004
 AT.  27 CA X     0.0002   -0.0039   -0.0014    0.0012    0.0013   -0.0027
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            Z    -0.0001   -0.0008   -0.0007   -0.0002   -0.0010    0.0004
 AT.  28 CA X     0.0002    0.0039    0.0014    0.0012    0.0013    0.0027
            Y     0.0043    0.0010   -0.0006    0.0004    0.0022    0.0021
            Z     0.0001   -0.0008   -0.0007    0.0002    0.0010    0.0004
 AT.  29 CA X    -0.0074    0.0000   -0.0034    0.0000   -0.0011    0.0000
            Y    -0.0058    0.0000   -0.0025    0.0000   -0.0033    0.0000
            Z    -0.0112    0.0000   -0.0042    0.0000   -0.0024    0.0000
 AT.  30 CA X    -0.0074    0.0000    0.0034    0.0000   -0.0011    0.0000
            Y    -0.0058    0.0000    0.0025    0.0000   -0.0033    0.0000
            Z     0.0112    0.0000   -0.0042    0.0000    0.0024    0.0000
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            Y     0.0058    0.0000   -0.0025    0.0000    0.0033    0.0000
            Z     0.0112    0.0000   -0.0042    0.0000    0.0024    0.0000
 AT.  32 CA X    -0.0074    0.0000   -0.0034    0.0000   -0.0011    0.0000
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            Z    -0.0112    0.0000   -0.0042    0.0000   -0.0024    0.0000
 AT.  33 CA X    -0.0045    0.0016    0.0011    0.0040   -0.0037    0.0014
            Y    -0.0050   -0.0001    0.0009    0.0005   -0.0009   -0.0004
            Z     0.0087   -0.0001   -0.0006   -0.0022    0.0032   -0.0007
 AT.  34 CA X    -0.0045   -0.0016   -0.0011    0.0040   -0.0037   -0.0014
            Y    -0.0050    0.0001   -0.0009    0.0005   -0.0009    0.0004
            Z    -0.0087   -0.0001   -0.0006    0.0022   -0.0032   -0.0007
 AT.  35 CA X    -0.0045    0.0016   -0.0011    0.0040   -0.0037   -0.0014
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            Z    -0.0087    0.0001   -0.0006    0.0022   -0.0032   -0.0007
 AT.  36 CA X    -0.0045   -0.0016    0.0011    0.0040   -0.0037    0.0014
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 AT.  37 CA X    -0.0045   -0.0016    0.0011   -0.0040   -0.0037   -0.0014
            Y    -0.0050    0.0001    0.0009   -0.0005   -0.0009    0.0004
            Z     0.0087    0.0001   -0.0006    0.0022    0.0032    0.0007
 AT.  38 CA X    -0.0045    0.0016   -0.0011   -0.0040   -0.0037    0.0014
            Y    -0.0050   -0.0001   -0.0009   -0.0005   -0.0009   -0.0004
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 AT.  41 CA X    -0.0075    0.0009   -0.0079   -0.0056   -0.0001   -0.0014
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 AT.  42 CA X    -0.0075   -0.0009    0.0079   -0.0056   -0.0001    0.0014
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 AT.  48 CA X    -0.0075    0.0009   -0.0079    0.0056   -0.0001    0.0014
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 AT.  49 CA X    -0.0026    0.0000   -0.0021   -0.0015    0.0007   -0.0011
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            Z    -0.0014    0.0000    0.0040    0.0047   -0.0005   -0.0004
 AT.  50 CA X    -0.0026    0.0000    0.0021   -0.0015    0.0007    0.0011
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 AT.  51 CA X    -0.0026    0.0000   -0.0021    0.0015    0.0007    0.0011
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            Y     0.0024    0.0066    0.0017   -0.0019    0.0029   -0.0036
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            Y     0.0024   -0.0066   -0.0017   -0.0019    0.0029    0.0036
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            Y    -0.0024   -0.0066    0.0017    0.0019   -0.0029   -0.0036
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 AT.  56 O  X     0.0041    0.0218   -0.0054    0.0070   -0.0107    0.0191
            Y    -0.0024    0.0066   -0.0017    0.0019   -0.0029    0.0036
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 AT.  57 O  X     0.0041    0.0218   -0.0054   -0.0070   -0.0107   -0.0191
            Y     0.0024   -0.0066    0.0017    0.0019    0.0029    0.0036
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 AT.  58 O  X     0.0041   -0.0218    0.0054   -0.0070   -0.0107    0.0191
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            Y    -0.0024    0.0066    0.0017   -0.0019   -0.0029    0.0036
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 AT.  60 O  X     0.0041   -0.0218   -0.0054   -0.0070   -0.0107   -0.0191
            Y    -0.0024   -0.0066   -0.0017   -0.0019   -0.0029   -0.0036
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 AT.  61 O  X    -0.0005   -0.0064    0.0011   -0.0091    0.0035   -0.0013
            Y     0.0043   -0.0137   -0.0003   -0.0013    0.0008    0.0071
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 AT.  62 O  X    -0.0005    0.0064   -0.0011   -0.0091    0.0035    0.0013
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            Z    -0.0025    0.0077    0.0044    0.0025   -0.0041   -0.0048
 AT.  63 O  X    -0.0005   -0.0064   -0.0011   -0.0091    0.0035    0.0013
            Y    -0.0043    0.0137   -0.0003    0.0013   -0.0008    0.0071
            Z    -0.0025   -0.0077    0.0044    0.0025   -0.0041   -0.0048
 AT.  64 O  X    -0.0005    0.0064    0.0011   -0.0091    0.0035   -0.0013
            Y    -0.0043   -0.0137    0.0003    0.0013   -0.0008   -0.0071
            Z     0.0025   -0.0077    0.0044   -0.0025    0.0041   -0.0048
 AT.  65 O  X    -0.0005    0.0064    0.0011    0.0091    0.0035    0.0013
            Y     0.0043    0.0137   -0.0003    0.0013    0.0008   -0.0071
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 AT.  66 O  X    -0.0005   -0.0064   -0.0011    0.0091    0.0035   -0.0013
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 AT.  67 O  X    -0.0005    0.0064   -0.0011    0.0091    0.0035   -0.0013
            Y    -0.0043   -0.0137   -0.0003   -0.0013   -0.0008   -0.0071
            Z    -0.0025    0.0077    0.0044   -0.0025   -0.0041    0.0048
 AT.  68 O  X    -0.0005   -0.0064    0.0011    0.0091    0.0035    0.0013
            Y    -0.0043    0.0137    0.0003   -0.0013   -0.0008    0.0071
            Z     0.0025    0.0077    0.0044    0.0025    0.0041    0.0048
 AT.  69 O  X     0.0055    0.0276    0.0064    0.0008    0.0091   -0.0174
            Y     0.0037    0.0053   -0.0027    0.0019   -0.0028   -0.0001
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 AT.  70 O  X     0.0055   -0.0276   -0.0064    0.0008    0.0091    0.0174
            Y     0.0037   -0.0053    0.0027    0.0019   -0.0028    0.0001
            Z     0.0005   -0.0068    0.0006   -0.0012    0.0018    0.0042
 AT.  71 O  X     0.0055    0.0276   -0.0064    0.0008    0.0091    0.0174
            Y    -0.0037   -0.0053   -0.0027   -0.0019    0.0028   -0.0001
            Z     0.0005    0.0068    0.0006   -0.0012    0.0018    0.0042
 AT.  72 O  X     0.0055   -0.0276    0.0064    0.0008    0.0091   -0.0174
            Y    -0.0037    0.0053    0.0027   -0.0019    0.0028    0.0001
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 AT.  73 O  X     0.0055   -0.0276    0.0064   -0.0008    0.0091    0.0174
            Y     0.0037   -0.0053   -0.0027   -0.0019   -0.0028    0.0001
            Z    -0.0005    0.0068    0.0006   -0.0012   -0.0018   -0.0042
 AT.  74 O  X     0.0055    0.0276   -0.0064   -0.0008    0.0091   -0.0174
            Y     0.0037    0.0053    0.0027   -0.0019   -0.0028   -0.0001
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 AT.  75 O  X     0.0055   -0.0276   -0.0064   -0.0008    0.0091   -0.0174
            Y    -0.0037    0.0053   -0.0027    0.0019    0.0028    0.0001
            Z     0.0005   -0.0068    0.0006    0.0012    0.0018   -0.0042
 AT.  76 O  X     0.0055    0.0276    0.0064   -0.0008    0.0091    0.0174
            Y    -0.0037   -0.0053    0.0027    0.0019    0.0028   -0.0001
            Z    -0.0005   -0.0068    0.0006   -0.0012   -0.0018   -0.0042
 AT.  77 O  X     0.0022   -0.0017    0.0015    0.0006    0.0006   -0.0002
            Y    -0.0008    0.0139    0.0038   -0.0046    0.0076   -0.0125
            Z    -0.0043   -0.0193   -0.0047   -0.0043   -0.0040    0.0079
 AT.  78 O  X     0.0022    0.0017   -0.0015    0.0006    0.0006    0.0002
            Y    -0.0008   -0.0139   -0.0038   -0.0046    0.0076    0.0125
            Z     0.0043   -0.0193   -0.0047    0.0043    0.0040    0.0079
 AT.  79 O  X     0.0022   -0.0017   -0.0015    0.0006    0.0006    0.0002
            Y     0.0008   -0.0139    0.0038    0.0046   -0.0076   -0.0125
            Z     0.0043    0.0193   -0.0047    0.0043    0.0040    0.0079
 AT.  80 O  X     0.0022    0.0017    0.0015    0.0006    0.0006   -0.0002
            Y     0.0008    0.0139   -0.0038    0.0046   -0.0076    0.0125
            Z    -0.0043    0.0193   -0.0047   -0.0043   -0.0040    0.0079
 AT.  81 O  X     0.0022    0.0017    0.0015   -0.0006    0.0006    0.0002
            Y    -0.0008   -0.0139    0.0038    0.0046    0.0076    0.0125
            Z    -0.0043    0.0193   -0.0047    0.0043   -0.0040   -0.0079
 AT.  82 O  X     0.0022   -0.0017   -0.0015   -0.0006    0.0006   -0.0002
            Y    -0.0008    0.0139   -0.0038    0.0046    0.0076   -0.0125
            Z     0.0043    0.0193   -0.0047   -0.0043    0.0040   -0.0079
 AT.  83 O  X     0.0022    0.0017   -0.0015   -0.0006    0.0006   -0.0002
            Y     0.0008    0.0139    0.0038   -0.0046   -0.0076    0.0125
            Z     0.0043   -0.0193   -0.0047   -0.0043    0.0040   -0.0079
 AT.  84 O  X     0.0022   -0.0017    0.0015   -0.0006    0.0006    0.0002
            Y     0.0008   -0.0139   -0.0038   -0.0046   -0.0076   -0.0125
            Z    -0.0043   -0.0193   -0.0047    0.0043   -0.0040   -0.0079
 AT.  85 O  X     0.0051   -0.0021   -0.0052    0.0069   -0.0132    0.0118
            Y     0.0015   -0.0013    0.0098   -0.0017    0.0129   -0.0081
            Z     0.0008    0.0003   -0.0114    0.0047   -0.0196    0.0150
 AT.  86 O  X     0.0051    0.0021    0.0052    0.0069   -0.0132   -0.0118
            Y     0.0015    0.0013   -0.0098   -0.0017    0.0129    0.0081
            Z    -0.0008    0.0003   -0.0114   -0.0047    0.0196    0.0150
 AT.  87 O  X     0.0051   -0.0021    0.0052    0.0069   -0.0132   -0.0118
            Y    -0.0015    0.0013    0.0098    0.0017   -0.0129   -0.0081
            Z    -0.0008   -0.0003   -0.0114   -0.0047    0.0196    0.0150
 AT.  88 O  X     0.0051    0.0021   -0.0052    0.0069   -0.0132    0.0118
            Y    -0.0015   -0.0013   -0.0098    0.0017   -0.0129    0.0081
            Z     0.0008   -0.0003   -0.0114    0.0047   -0.0196    0.0150
 AT.  89 O  X     0.0051    0.0021   -0.0052   -0.0069   -0.0132   -0.0118
            Y     0.0015    0.0013    0.0098    0.0017    0.0129    0.0081
            Z     0.0008   -0.0003   -0.0114   -0.0047   -0.0196   -0.0150
 AT.  90 O  X     0.0051   -0.0021    0.0052   -0.0069   -0.0132    0.0118
            Y     0.0015   -0.0013   -0.0098    0.0017    0.0129   -0.0081
            Z    -0.0008   -0.0003   -0.0114    0.0047    0.0196   -0.0150
 AT.  91 O  X     0.0051    0.0021    0.0052   -0.0069   -0.0132    0.0118
            Y    -0.0015   -0.0013    0.0098   -0.0017   -0.0129    0.0081
            Z    -0.0008    0.0003   -0.0114    0.0047    0.0196   -0.0150
 AT.  92 O  X     0.0051   -0.0021   -0.0052   -0.0069   -0.0132   -0.0118
            Y    -0.0015    0.0013   -0.0098   -0.0017   -0.0129   -0.0081
            Z     0.0008    0.0003   -0.0114   -0.0047   -0.0196   -0.0150
 AT.  93 O  X     0.0051    0.0026   -0.0021   -0.0178    0.0188   -0.0141
            Y     0.0023    0.0012   -0.0022    0.0025   -0.0055    0.0044
            Z    -0.0055   -0.0024   -0.0023    0.0059   -0.0083    0.0046
 AT.  94 O  X     0.0051   -0.0026    0.0021   -0.0178    0.0188    0.0141
            Y     0.0023   -0.0012    0.0022    0.0025   -0.0055   -0.0044
            Z     0.0055   -0.0024   -0.0023   -0.0059    0.0083    0.0046
 AT.  95 O  X     0.0051    0.0026    0.0021   -0.0178    0.0188    0.0141
            Y    -0.0023   -0.0012   -0.0022   -0.0025    0.0055    0.0044
            Z     0.0055    0.0024   -0.0023   -0.0059    0.0083    0.0046
 AT.  96 O  X     0.0051   -0.0026   -0.0021   -0.0178    0.0188   -0.0141
            Y    -0.0023    0.0012    0.0022   -0.0025    0.0055   -0.0044
            Z    -0.0055    0.0024   -0.0023    0.0059   -0.0083    0.0046
 AT.  97 O  X     0.0051   -0.0026   -0.0021    0.0178    0.0188    0.0141
            Y     0.0023   -0.0012   -0.0022   -0.0025   -0.0055   -0.0044
            Z    -0.0055    0.0024   -0.0023   -0.0059   -0.0083   -0.0046
 AT.  98 O  X     0.0051    0.0026    0.0021    0.0178    0.0188   -0.0141
            Y     0.0023    0.0012    0.0022   -0.0025   -0.0055    0.0044
            Z     0.0055    0.0024   -0.0023    0.0059    0.0083   -0.0046
 AT.  99 O  X     0.0051   -0.0026    0.0021    0.0178    0.0188   -0.0141
            Y    -0.0023    0.0012   -0.0022    0.0025    0.0055   -0.0044
            Z     0.0055   -0.0024   -0.0023    0.0059    0.0083   -0.0046
 AT. 100 O  X     0.0051    0.0026   -0.0021    0.0178    0.0188    0.0141
            Y    -0.0023   -0.0012    0.0022    0.0025    0.0055    0.0044
            Z    -0.0055   -0.0024   -0.0023   -0.0059   -0.0083   -0.0046
 AT. 101 O  X    -0.0039   -0.0012    0.0023    0.0052   -0.0034    0.0018
            Y     0.0038    0.0015    0.0072   -0.0022    0.0121   -0.0092
            Z    -0.0038    0.0023    0.0090   -0.0005    0.0107   -0.0092
 AT. 102 O  X    -0.0039    0.0012   -0.0023    0.0052   -0.0034   -0.0018
            Y     0.0038   -0.0015   -0.0072   -0.0022    0.0121    0.0092
            Z     0.0038    0.0023    0.0090    0.0005   -0.0107   -0.0092
 AT. 103 O  X    -0.0039   -0.0012   -0.0023    0.0052   -0.0034   -0.0018
            Y    -0.0038   -0.0015    0.0072    0.0022   -0.0121   -0.0092
            Z     0.0038   -0.0023    0.0090    0.0005   -0.0107   -0.0092
 AT. 104 O  X    -0.0039    0.0012    0.0023    0.0052   -0.0034    0.0018
            Y    -0.0038    0.0015   -0.0072    0.0022   -0.0121    0.0092
            Z    -0.0038   -0.0023    0.0090   -0.0005    0.0107   -0.0092
 AT. 105 O  X    -0.0039    0.0012    0.0023   -0.0052   -0.0034   -0.0018
            Y     0.0038   -0.0015    0.0072    0.0022    0.0121    0.0092
            Z    -0.0038   -0.0023    0.0090    0.0005    0.0107    0.0092
 AT. 106 O  X    -0.0039   -0.0012   -0.0023   -0.0052   -0.0034    0.0018
            Y     0.0038    0.0015   -0.0072    0.0022    0.0121   -0.0092
            Z     0.0038   -0.0023    0.0090   -0.0005   -0.0107    0.0092
 AT. 107 O  X    -0.0039    0.0012   -0.0023   -0.0052   -0.0034    0.0018
            Y    -0.0038    0.0015    0.0072   -0.0022   -0.0121    0.0092
            Z     0.0038    0.0023    0.0090   -0.0005   -0.0107    0.0092
 AT. 108 O  X    -0.0039   -0.0012    0.0023   -0.0052   -0.0034   -0.0018
            Y    -0.0038   -0.0015   -0.0072   -0.0022   -0.0121   -0.0092
            Z    -0.0038    0.0023    0.0090    0.0005    0.0107    0.0092
 AT. 109 O  X     0.0016    0.0009   -0.0002   -0.0043    0.0047   -0.0036
            Y    -0.0007    0.0005   -0.0088    0.0042   -0.0141    0.0105
            Z     0.0037   -0.0028    0.0000   -0.0022    0.0033   -0.0003
 AT. 110 O  X     0.0016   -0.0009    0.0002   -0.0043    0.0047    0.0036
            Y    -0.0007   -0.0005    0.0088    0.0042   -0.0141   -0.0105
            Z    -0.0037   -0.0028    0.0000    0.0022   -0.0033   -0.0003
 AT. 111 O  X     0.0016    0.0009    0.0002   -0.0043    0.0047    0.0036
            Y     0.0007   -0.0005   -0.0088   -0.0042    0.0141    0.0105
            Z    -0.0037    0.0028    0.0000    0.0022   -0.0033   -0.0003
 AT. 112 O  X     0.0016   -0.0009   -0.0002   -0.0043    0.0047   -0.0036
            Y     0.0007    0.0005    0.0088   -0.0042    0.0141   -0.0105
            Z     0.0037    0.0028    0.0000   -0.0022    0.0033   -0.0003
 AT. 113 O  X     0.0016   -0.0009   -0.0002    0.0043    0.0047    0.0036
            Y    -0.0007   -0.0005   -0.0088   -0.0042   -0.0141   -0.0105
            Z     0.0037    0.0028    0.0000    0.0022    0.0033    0.0003
 AT. 114 O  X     0.0016    0.0009    0.0002    0.0043    0.0047   -0.0036
            Y    -0.0007    0.0005    0.0088   -0.0042   -0.0141    0.0105
            Z    -0.0037    0.0028    0.0000   -0.0022   -0.0033    0.0003
 AT. 115 O  X     0.0016   -0.0009    0.0002    0.0043    0.0047   -0.0036
            Y     0.0007    0.0005   -0.0088    0.0042    0.0141   -0.0105
            Z    -0.0037   -0.0028    0.0000   -0.0022   -0.0033    0.0003
 AT. 116 O  X     0.0016    0.0009   -0.0002    0.0043    0.0047    0.0036
            Y     0.0007   -0.0005    0.0088    0.0042    0.0141    0.0105
            Z     0.0037   -0.0028    0.0000    0.0022    0.0033    0.0003
 AT. 117 O  X     0.0150    0.0016   -0.0190   -0.0196   -0.0061    0.0083
            Y    -0.0228   -0.0042    0.0292    0.0258    0.0109   -0.0130
            Z     0.0153   -0.0008   -0.0107   -0.0122    0.0001    0.0018
 AT. 118 O  X     0.0150   -0.0016    0.0190   -0.0196   -0.0061   -0.0083
            Y    -0.0228    0.0042   -0.0292    0.0258    0.0109    0.0130
            Z    -0.0153   -0.0008   -0.0107    0.0122   -0.0001    0.0018
 AT. 119 O  X     0.0150    0.0016    0.0190   -0.0196   -0.0061   -0.0083
            Y     0.0228    0.0042    0.0292   -0.0258   -0.0109   -0.0130
            Z    -0.0153    0.0008   -0.0107    0.0122   -0.0001    0.0018
 AT. 120 O  X     0.0150   -0.0016   -0.0190   -0.0196   -0.0061    0.0083
            Y     0.0228   -0.0042   -0.0292   -0.0258   -0.0109    0.0130
            Z     0.0153    0.0008   -0.0107   -0.0122    0.0001    0.0018
 AT. 121 O  X     0.0150   -0.0016   -0.0190    0.0196   -0.0061   -0.0083
            Y    -0.0228    0.0042    0.0292   -0.0258    0.0109    0.0130
            Z     0.0153    0.0008   -0.0107    0.0122    0.0001   -0.0018
 AT. 122 O  X     0.0150    0.0016    0.0190    0.0196   -0.0061    0.0083
            Y    -0.0228   -0.0042   -0.0292   -0.0258    0.0109   -0.0130
            Z    -0.0153    0.0008   -0.0107   -0.0122   -0.0001   -0.0018
 AT. 123 O  X     0.0150   -0.0016    0.0190    0.0196   -0.0061    0.0083
            Y     0.0228   -0.0042    0.0292    0.0258   -0.0109    0.0130
            Z    -0.0153   -0.0008   -0.0107   -0.0122   -0.0001   -0.0018
 AT. 124 O  X     0.0150    0.0016   -0.0190    0.0196   -0.0061   -0.0083
            Y     0.0228    0.0042   -0.0292    0.0258   -0.0109   -0.0130
            Z     0.0153   -0.0008   -0.0107    0.0122    0.0001   -0.0018

 FREQ(CM**-1)    397.96    399.22    402.20    404.41    407.98    409.79

 AT.   1 SI X     0.0004    0.0002   -0.0004    0.0008   -0.0005    0.0002
            Y     0.0006    0.0020    0.0002   -0.0002   -0.0007   -0.0004
            Z     0.0028   -0.0018    0.0031   -0.0011   -0.0012    0.0040
 AT.   2 SI X    -0.0004    0.0002   -0.0004   -0.0008    0.0005    0.0002
            Y    -0.0006    0.0020    0.0002    0.0002    0.0007   -0.0004
            Z     0.0028    0.0018   -0.0031   -0.0011   -0.0012   -0.0040
 AT.   3 SI X    -0.0004   -0.0002   -0.0004   -0.0008   -0.0005   -0.0002
            Y     0.0006    0.0020   -0.0002   -0.0002    0.0007   -0.0004
            Z     0.0028   -0.0018   -0.0031   -0.0011    0.0012    0.0040
 AT.   4 SI X     0.0004   -0.0002   -0.0004    0.0008    0.0005   -0.0002
            Y    -0.0006    0.0020   -0.0002    0.0002   -0.0007   -0.0004
            Z     0.0028    0.0018    0.0031   -0.0011    0.0012   -0.0040
 AT.   5 SI X     0.0004   -0.0002    0.0004   -0.0008    0.0005    0.0002
            Y     0.0006   -0.0020   -0.0002    0.0002    0.0007   -0.0004
            Z     0.0028    0.0018   -0.0031    0.0011    0.0012    0.0040
 AT.   6 SI X    -0.0004   -0.0002    0.0004    0.0008   -0.0005    0.0002
            Y    -0.0006   -0.0020   -0.0002   -0.0002   -0.0007   -0.0004
            Z     0.0028   -0.0018    0.0031    0.0011    0.0012   -0.0040
 AT.   7 SI X    -0.0004    0.0002    0.0004    0.0008    0.0005   -0.0002
            Y     0.0006   -0.0020    0.0002    0.0002   -0.0007   -0.0004
            Z     0.0028    0.0018    0.0031    0.0011   -0.0012    0.0040
 AT.   8 SI X     0.0004    0.0002    0.0004   -0.0008   -0.0005   -0.0002
            Y    -0.0006   -0.0020    0.0002   -0.0002    0.0007   -0.0004
            Z     0.0028   -0.0018   -0.0031    0.0011   -0.0012   -0.0040
 AT.   9 SI X    -0.0042   -0.0007   -0.0012    0.0014    0.0032   -0.0025
            Y     0.0004   -0.0012    0.0016    0.0011    0.0043   -0.0034
            Z     0.0014    0.0000    0.0070   -0.0032   -0.0002    0.0010
 AT.  10 SI X     0.0042   -0.0007   -0.0012   -0.0014   -0.0032   -0.0025
            Y    -0.0004   -0.0012    0.0016   -0.0011   -0.0043   -0.0034
            Z     0.0014    0.0000   -0.0070   -0.0032   -0.0002   -0.0010
 AT.  11 SI X     0.0042    0.0007   -0.0012   -0.0014    0.0032    0.0025
            Y     0.0004   -0.0012   -0.0016    0.0011   -0.0043   -0.0034
            Z     0.0014    0.0000   -0.0070   -0.0032    0.0002    0.0010
 AT.  12 SI X    -0.0042    0.0007   -0.0012    0.0014   -0.0032    0.0025
            Y    -0.0004   -0.0012   -0.0016   -0.0011    0.0043   -0.0034
            Z     0.0014    0.0000    0.0070   -0.0032    0.0002   -0.0010
 AT.  13 SI X    -0.0042    0.0007    0.0012   -0.0014   -0.0032   -0.0025
            Y     0.0004    0.0012   -0.0016   -0.0011   -0.0043   -0.0034
            Z     0.0014    0.0000   -0.0070    0.0032    0.0002    0.0010
 AT.  14 SI X     0.0042    0.0007    0.0012    0.0014    0.0032   -0.0025
            Y    -0.0004    0.0012   -0.0016    0.0011    0.0043   -0.0034
            Z     0.0014    0.0000    0.0070    0.0032    0.0002   -0.0010
 AT.  15 SI X     0.0042   -0.0007    0.0012    0.0014   -0.0032    0.0025
            Y     0.0004    0.0012    0.0016   -0.0011    0.0043   -0.0034
            Z     0.0014    0.0000    0.0070    0.0032   -0.0002    0.0010
 AT.  16 SI X    -0.0042   -0.0007    0.0012   -0.0014    0.0032    0.0025
            Y    -0.0004    0.0012    0.0016    0.0011   -0.0043   -0.0034
            Z     0.0014    0.0000   -0.0070    0.0032   -0.0002   -0.0010
 AT.  17 SI X     0.0001    0.0000   -0.0007   -0.0002    0.0000    0.0000
            Y     0.0000    0.0021    0.0000    0.0000   -0.0040    0.0031
            Z    -0.0104    0.0000   -0.0014    0.0031    0.0000    0.0000
 AT.  18 SI X    -0.0001    0.0000   -0.0007    0.0002    0.0000    0.0000
            Y     0.0000    0.0021    0.0000    0.0000    0.0040    0.0031
            Z    -0.0104    0.0000    0.0014    0.0031    0.0000    0.0000
 AT.  19 SI X     0.0001    0.0000    0.0007    0.0002    0.0000    0.0000
            Y     0.0000   -0.0021    0.0000    0.0000    0.0040    0.0031
            Z    -0.0104    0.0000    0.0014   -0.0031    0.0000    0.0000
 AT.  20 SI X    -0.0001    0.0000    0.0007   -0.0002    0.0000    0.0000
            Y     0.0000   -0.0021    0.0000    0.0000   -0.0040    0.0031
            Z    -0.0104    0.0000   -0.0014   -0.0031    0.0000    0.0000
 AT.  21 CA X    -0.0020   -0.0034   -0.0007   -0.0018    0.0018   -0.0021
            Y     0.0005    0.0004   -0.0004   -0.0014   -0.0004    0.0000
            Z    -0.0026    0.0024   -0.0019    0.0035   -0.0002   -0.0007
 AT.  22 CA X     0.0020   -0.0034   -0.0007    0.0018   -0.0018   -0.0021
            Y    -0.0005    0.0004   -0.0004    0.0014    0.0004    0.0000
            Z    -0.0026   -0.0024    0.0019    0.0035   -0.0002    0.0007
 AT.  23 CA X     0.0020    0.0034   -0.0007    0.0018    0.0018    0.0021
            Y     0.0005    0.0004    0.0004   -0.0014    0.0004    0.0000
            Z    -0.0026    0.0024    0.0019    0.0035    0.0002   -0.0007
 AT.  24 CA X    -0.0020    0.0034   -0.0007   -0.0018   -0.0018    0.0021
            Y    -0.0005    0.0004    0.0004    0.0014   -0.0004    0.0000
            Z    -0.0026   -0.0024   -0.0019    0.0035    0.0002    0.0007
 AT.  25 CA X    -0.0020    0.0034    0.0007    0.0018   -0.0018   -0.0021
            Y     0.0005   -0.0004    0.0004    0.0014    0.0004    0.0000
            Z    -0.0026   -0.0024    0.0019   -0.0035    0.0002   -0.0007
 AT.  26 CA X     0.0020    0.0034    0.0007   -0.0018    0.0018   -0.0021
            Y    -0.0005   -0.0004    0.0004   -0.0014   -0.0004    0.0000
            Z    -0.0026    0.0024   -0.0019   -0.0035    0.0002    0.0007
 AT.  27 CA X     0.0020   -0.0034    0.0007   -0.0018   -0.0018    0.0021
            Y     0.0005   -0.0004   -0.0004    0.0014   -0.0004    0.0000
            Z    -0.0026   -0.0024   -0.0019   -0.0035   -0.0002   -0.0007
 AT.  28 CA X    -0.0020   -0.0034    0.0007    0.0018    0.0018    0.0021
            Y    -0.0005   -0.0004   -0.0004   -0.0014    0.0004    0.0000
            Z    -0.0026    0.0024    0.0019   -0.0035   -0.0002    0.0007
 AT.  29 CA X    -0.0042    0.0000    0.0000    0.0000    0.0000   -0.0060
            Y     0.0001    0.0000    0.0000    0.0000    0.0000   -0.0005
            Z    -0.0036    0.0000    0.0000    0.0000    0.0000   -0.0041
 AT.  30 CA X     0.0042    0.0000    0.0000    0.0000    0.0000   -0.0060
            Y    -0.0001    0.0000    0.0000    0.0000    0.0000   -0.0005
            Z    -0.0036    0.0000    0.0000    0.0000    0.0000    0.0041
 AT.  31 CA X     0.0042    0.0000    0.0000    0.0000    0.0000    0.0060
            Y     0.0001    0.0000    0.0000    0.0000    0.0000   -0.0005
            Z    -0.0036    0.0000    0.0000    0.0000    0.0000   -0.0041
 AT.  32 CA X    -0.0042    0.0000    0.0000    0.0000    0.0000    0.0060
            Y    -0.0001    0.0000    0.0000    0.0000    0.0000   -0.0005
            Z    -0.0036    0.0000    0.0000    0.0000    0.0000    0.0041
 AT.  33 CA X     0.0054   -0.0020    0.0049   -0.0052   -0.0047    0.0049
            Y     0.0008   -0.0013    0.0015   -0.0019   -0.0014    0.0016
            Z    -0.0043    0.0012   -0.0056    0.0048    0.0045   -0.0045
 AT.  34 CA X    -0.0054   -0.0020    0.0049    0.0052    0.0047    0.0049
            Y    -0.0008   -0.0013    0.0015    0.0019    0.0014    0.0016
            Z    -0.0043   -0.0012    0.0056    0.0048    0.0045    0.0045
 AT.  35 CA X    -0.0054    0.0020    0.0049    0.0052   -0.0047   -0.0049
            Y     0.0008   -0.0013   -0.0015   -0.0019    0.0014    0.0016
            Z    -0.0043    0.0012    0.0056    0.0048   -0.0045   -0.0045
 AT.  36 CA X     0.0054    0.0020    0.0049   -0.0052    0.0047   -0.0049
            Y    -0.0008   -0.0013   -0.0015    0.0019   -0.0014    0.0016
            Z    -0.0043   -0.0012   -0.0056    0.0048   -0.0045    0.0045
 AT.  37 CA X     0.0054    0.0020   -0.0049    0.0052    0.0047    0.0049
            Y     0.0008    0.0013   -0.0015    0.0019    0.0014    0.0016
            Z    -0.0043   -0.0012    0.0056   -0.0048   -0.0045   -0.0045
 AT.  38 CA X    -0.0054    0.0020   -0.0049   -0.0052   -0.0047    0.0049
            Y    -0.0008    0.0013   -0.0015   -0.0019   -0.0014    0.0016
            Z    -0.0043    0.0012   -0.0056   -0.0048   -0.0045    0.0045
 AT.  39 CA X    -0.0054   -0.0020   -0.0049   -0.0052    0.0047   -0.0049
            Y     0.0008    0.0013    0.0015    0.0019   -0.0014    0.0016
            Z    -0.0043   -0.0012   -0.0056   -0.0048    0.0045   -0.0045
 AT.  40 CA X     0.0054   -0.0020   -0.0049    0.0052   -0.0047   -0.0049
            Y    -0.0008    0.0013    0.0015   -0.0019    0.0014    0.0016
            Z    -0.0043    0.0012    0.0056   -0.0048    0.0045    0.0045
 AT.  41 CA X    -0.0011    0.0004    0.0045   -0.0005   -0.0010    0.0009
            Y    -0.0020   -0.0005    0.0013    0.0002   -0.0011    0.0004
            Z     0.0033    0.0010   -0.0030    0.0016   -0.0011    0.0002
 AT.  42 CA X     0.0011    0.0004    0.0045    0.0005    0.0010    0.0009
            Y     0.0020   -0.0005    0.0013   -0.0002    0.0011    0.0004
            Z     0.0033   -0.0010    0.0030    0.0016   -0.0011   -0.0002
 AT.  43 CA X     0.0011   -0.0004    0.0045    0.0005   -0.0010   -0.0009
            Y    -0.0020   -0.0005   -0.0013    0.0002    0.0011    0.0004
            Z     0.0033    0.0010    0.0030    0.0016    0.0011    0.0002
 AT.  44 CA X    -0.0011   -0.0004    0.0045   -0.0005    0.0010   -0.0009
            Y     0.0020   -0.0005   -0.0013   -0.0002   -0.0011    0.0004
            Z     0.0033   -0.0010   -0.0030    0.0016    0.0011   -0.0002
 AT.  45 CA X    -0.0011   -0.0004   -0.0045    0.0005    0.0010    0.0009
            Y    -0.0020    0.0005   -0.0013   -0.0002    0.0011    0.0004
            Z     0.0033   -0.0010    0.0030   -0.0016    0.0011    0.0002
 AT.  46 CA X     0.0011   -0.0004   -0.0045   -0.0005   -0.0010    0.0009
            Y     0.0020    0.0005   -0.0013    0.0002   -0.0011    0.0004
            Z     0.0033    0.0010   -0.0030   -0.0016    0.0011   -0.0002
 AT.  47 CA X     0.0011    0.0004   -0.0045   -0.0005    0.0010   -0.0009
            Y    -0.0020    0.0005    0.0013   -0.0002   -0.0011    0.0004
            Z     0.0033   -0.0010   -0.0030   -0.0016   -0.0011    0.0002
 AT.  48 CA X    -0.0011    0.0004   -0.0045    0.0005   -0.0010   -0.0009
            Y     0.0020    0.0005    0.0013    0.0002    0.0011    0.0004
            Z     0.0033    0.0010    0.0030   -0.0016   -0.0011   -0.0002
 AT.  49 CA X    -0.0001    0.0000    0.0014    0.0001    0.0000    0.0000
            Y     0.0000    0.0018    0.0000    0.0000    0.0040   -0.0033
            Z     0.0025    0.0000   -0.0013   -0.0011    0.0000    0.0000
 AT.  50 CA X     0.0001    0.0000    0.0014   -0.0001    0.0000    0.0000
            Y     0.0000    0.0018    0.0000    0.0000   -0.0040   -0.0033
            Z     0.0025    0.0000    0.0013   -0.0011    0.0000    0.0000
 AT.  51 CA X    -0.0001    0.0000   -0.0014   -0.0001    0.0000    0.0000
            Y     0.0000   -0.0018    0.0000    0.0000   -0.0040   -0.0033
            Z     0.0025    0.0000    0.0013    0.0011    0.0000    0.0000
 AT.  52 CA X     0.0001    0.0000   -0.0014    0.0001    0.0000    0.0000
            Y     0.0000   -0.0018    0.0000    0.0000    0.0040   -0.0033
            Z     0.0025    0.0000   -0.0013    0.0011    0.0000    0.0000
 AT.  53 O  X     0.0114    0.0238    0.0024    0.0176   -0.0141    0.0094
            Y    -0.0031   -0.0068   -0.0009   -0.0061    0.0037   -0.0030
            Z     0.0063   -0.0073    0.0084   -0.0044   -0.0094    0.0149
 AT.  54 O  X    -0.0114    0.0238    0.0024   -0.0176    0.0141    0.0094
            Y     0.0031   -0.0068   -0.0009    0.0061   -0.0037   -0.0030
            Z     0.0063    0.0073   -0.0084   -0.0044   -0.0094   -0.0149
 AT.  55 O  X    -0.0114   -0.0238    0.0024   -0.0176   -0.0141   -0.0094
            Y    -0.0031   -0.0068    0.0009   -0.0061   -0.0037   -0.0030
            Z     0.0063   -0.0073   -0.0084   -0.0044    0.0094    0.0149
 AT.  56 O  X     0.0114   -0.0238    0.0024    0.0176    0.0141   -0.0094
            Y     0.0031   -0.0068    0.0009    0.0061    0.0037   -0.0030
            Z     0.0063    0.0073    0.0084   -0.0044    0.0094   -0.0149
 AT.  57 O  X     0.0114   -0.0238   -0.0024   -0.0176    0.0141    0.0094
            Y    -0.0031    0.0068    0.0009    0.0061   -0.0037   -0.0030
            Z     0.0063    0.0073   -0.0084    0.0044    0.0094    0.0149
 AT.  58 O  X    -0.0114   -0.0238   -0.0024    0.0176   -0.0141    0.0094
            Y     0.0031    0.0068    0.0009   -0.0061    0.0037   -0.0030
            Z     0.0063   -0.0073    0.0084    0.0044    0.0094   -0.0149
 AT.  59 O  X    -0.0114    0.0238   -0.0024    0.0176    0.0141   -0.0094
            Y    -0.0031    0.0068   -0.0009    0.0061    0.0037   -0.0030
            Z     0.0063    0.0073    0.0084    0.0044   -0.0094    0.0149
 AT.  60 O  X     0.0114    0.0238   -0.0024   -0.0176   -0.0141   -0.0094
            Y     0.0031    0.0068   -0.0009   -0.0061   -0.0037   -0.0030
            Z     0.0063   -0.0073   -0.0084    0.0044   -0.0094   -0.0149
 AT.  61 O  X    -0.0111    0.0049   -0.0163    0.0037    0.0218   -0.0204
            Y    -0.0011    0.0137   -0.0053    0.0119    0.0034   -0.0032
            Z    -0.0014   -0.0074   -0.0009   -0.0070    0.0050   -0.0024
 AT.  62 O  X     0.0111    0.0049   -0.0163   -0.0037   -0.0218   -0.0204
            Y     0.0011    0.0137   -0.0053   -0.0119   -0.0034   -0.0032
            Z    -0.0014    0.0074    0.0009   -0.0070    0.0050    0.0024
 AT.  63 O  X     0.0111   -0.0049   -0.0163   -0.0037    0.0218    0.0204
            Y    -0.0011    0.0137    0.0053    0.0119   -0.0034   -0.0032
            Z    -0.0014   -0.0074    0.0009   -0.0070   -0.0050   -0.0024
 AT.  64 O  X    -0.0111   -0.0049   -0.0163    0.0037   -0.0218    0.0204
            Y     0.0011    0.0137    0.0053   -0.0119    0.0034   -0.0032
            Z    -0.0014    0.0074   -0.0009   -0.0070   -0.0050    0.0024
 AT.  65 O  X    -0.0111   -0.0049    0.0163   -0.0037   -0.0218   -0.0204
            Y    -0.0011   -0.0137    0.0053   -0.0119   -0.0034   -0.0032
            Z    -0.0014    0.0074    0.0009    0.0070   -0.0050   -0.0024
 AT.  66 O  X     0.0111   -0.0049    0.0163    0.0037    0.0218   -0.0204
            Y     0.0011   -0.0137    0.0053    0.0119    0.0034   -0.0032
            Z    -0.0014   -0.0074   -0.0009    0.0070   -0.0050    0.0024
 AT.  67 O  X     0.0111    0.0049    0.0163    0.0037   -0.0218    0.0204
            Y    -0.0011   -0.0137   -0.0053   -0.0119    0.0034   -0.0032
            Z    -0.0014    0.0074   -0.0009    0.0070    0.0050   -0.0024
 AT.  68 O  X    -0.0111    0.0049    0.0163   -0.0037    0.0218    0.0204
            Y     0.0011   -0.0137   -0.0053    0.0119   -0.0034   -0.0032
            Z    -0.0014   -0.0074    0.0009    0.0070    0.0050    0.0024
 AT.  69 O  X    -0.0001   -0.0268    0.0123   -0.0178   -0.0069    0.0120
            Y     0.0047   -0.0022    0.0054   -0.0011   -0.0065    0.0082
            Z     0.0045    0.0064    0.0018    0.0045   -0.0028    0.0035
 AT.  70 O  X     0.0001   -0.0268    0.0123    0.0178    0.0069    0.0120
            Y    -0.0047   -0.0022    0.0054    0.0011    0.0065    0.0082
            Z     0.0045   -0.0064   -0.0018    0.0045   -0.0028   -0.0035
 AT.  71 O  X     0.0001    0.0268    0.0123    0.0178   -0.0069   -0.0120
            Y     0.0047   -0.0022   -0.0054   -0.0011    0.0065    0.0082
            Z     0.0045    0.0064   -0.0018    0.0045    0.0028    0.0035
 AT.  72 O  X    -0.0001    0.0268    0.0123   -0.0178    0.0069   -0.0120
            Y    -0.0047   -0.0022   -0.0054    0.0011   -0.0065    0.0082
            Z     0.0045   -0.0064    0.0018    0.0045    0.0028   -0.0035
 AT.  73 O  X    -0.0001    0.0268   -0.0123    0.0178    0.0069    0.0120
            Y     0.0047    0.0022   -0.0054    0.0011    0.0065    0.0082
            Z     0.0045   -0.0064   -0.0018   -0.0045    0.0028    0.0035
 AT.  74 O  X     0.0001    0.0268   -0.0123   -0.0178   -0.0069    0.0120
            Y    -0.0047    0.0022   -0.0054   -0.0011   -0.0065    0.0082
            Z     0.0045    0.0064    0.0018   -0.0045    0.0028   -0.0035
 AT.  75 O  X     0.0001   -0.0268   -0.0123   -0.0178    0.0069   -0.0120
            Y     0.0047    0.0022    0.0054    0.0011   -0.0065    0.0082
            Z     0.0045   -0.0064    0.0018   -0.0045   -0.0028    0.0035
 AT.  76 O  X    -0.0001   -0.0268   -0.0123    0.0178   -0.0069   -0.0120
            Y    -0.0047    0.0022    0.0054   -0.0011    0.0065    0.0082
            Z     0.0045    0.0064   -0.0018   -0.0045   -0.0028   -0.0035
 AT.  77 O  X     0.0003    0.0002   -0.0005    0.0011   -0.0004    0.0003
            Y    -0.0071   -0.0154   -0.0006   -0.0110    0.0082   -0.0070
            Z    -0.0068    0.0153   -0.0132    0.0103    0.0125   -0.0173
 AT.  78 O  X    -0.0003    0.0002   -0.0005   -0.0011    0.0004    0.0003
            Y     0.0071   -0.0154   -0.0006    0.0110   -0.0082   -0.0070
            Z    -0.0068   -0.0153    0.0132    0.0103    0.0125    0.0173
 AT.  79 O  X    -0.0003   -0.0002   -0.0005   -0.0011   -0.0004   -0.0003
            Y    -0.0071   -0.0154    0.0006   -0.0110   -0.0082   -0.0070
            Z    -0.0068    0.0153    0.0132    0.0103   -0.0125   -0.0173
 AT.  80 O  X     0.0003   -0.0002   -0.0005    0.0011    0.0004   -0.0003
            Y     0.0071   -0.0154    0.0006    0.0110    0.0082   -0.0070
            Z    -0.0068   -0.0153   -0.0132    0.0103   -0.0125    0.0173
 AT.  81 O  X     0.0003   -0.0002    0.0005   -0.0011    0.0004    0.0003
            Y    -0.0071    0.0154    0.0006    0.0110   -0.0082   -0.0070
            Z    -0.0068   -0.0153    0.0132   -0.0103   -0.0125   -0.0173
 AT.  82 O  X    -0.0003   -0.0002    0.0005    0.0011   -0.0004    0.0003
            Y     0.0071    0.0154    0.0006   -0.0110    0.0082   -0.0070
            Z    -0.0068    0.0153   -0.0132   -0.0103   -0.0125    0.0173
 AT.  83 O  X    -0.0003    0.0002    0.0005    0.0011    0.0004   -0.0003
            Y    -0.0071    0.0154   -0.0006    0.0110    0.0082   -0.0070
            Z    -0.0068   -0.0153   -0.0132   -0.0103    0.0125   -0.0173
 AT.  84 O  X     0.0003    0.0002    0.0005   -0.0011   -0.0004   -0.0003
            Y     0.0071    0.0154   -0.0006   -0.0110   -0.0082   -0.0070
            Z    -0.0068    0.0153    0.0132   -0.0103    0.0125    0.0173
 AT.  85 O  X     0.0126    0.0027    0.0080   -0.0092   -0.0116    0.0095
            Y    -0.0096    0.0016   -0.0093    0.0110    0.0032   -0.0024
            Z     0.0156   -0.0004    0.0150   -0.0140   -0.0056    0.0048
 AT.  86 O  X    -0.0126    0.0027    0.0080    0.0092    0.0116    0.0095
            Y     0.0096    0.0016   -0.0093   -0.0110   -0.0032   -0.0024
            Z     0.0156    0.0004   -0.0150   -0.0140   -0.0056   -0.0048
 AT.  87 O  X    -0.0126   -0.0027    0.0080    0.0092   -0.0116   -0.0095
            Y    -0.0096    0.0016    0.0093    0.0110   -0.0032   -0.0024
            Z     0.0156   -0.0004   -0.0150   -0.0140    0.0056    0.0048
 AT.  88 O  X     0.0126   -0.0027    0.0080   -0.0092    0.0116   -0.0095
            Y     0.0096    0.0016    0.0093   -0.0110    0.0032   -0.0024
            Z     0.0156    0.0004    0.0150   -0.0140    0.0056   -0.0048
 AT.  89 O  X     0.0126   -0.0027   -0.0080    0.0092    0.0116    0.0095
            Y    -0.0096   -0.0016    0.0093   -0.0110   -0.0032   -0.0024
            Z     0.0156    0.0004   -0.0150    0.0140    0.0056    0.0048
 AT.  90 O  X    -0.0126   -0.0027   -0.0080   -0.0092   -0.0116    0.0095
            Y     0.0096   -0.0016    0.0093    0.0110    0.0032   -0.0024
            Z     0.0156   -0.0004    0.0150    0.0140    0.0056   -0.0048
 AT.  91 O  X    -0.0126    0.0027   -0.0080   -0.0092    0.0116   -0.0095
            Y    -0.0096   -0.0016   -0.0093   -0.0110    0.0032   -0.0024
            Z     0.0156    0.0004    0.0150    0.0140   -0.0056    0.0048
 AT.  92 O  X     0.0126    0.0027   -0.0080    0.0092   -0.0116   -0.0095
            Y     0.0096   -0.0016   -0.0093    0.0110   -0.0032   -0.0024
            Z     0.0156   -0.0004   -0.0150    0.0140   -0.0056   -0.0048
 AT.  93 O  X    -0.0209   -0.0030   -0.0090    0.0142    0.0133   -0.0119
            Y     0.0053   -0.0005    0.0039   -0.0039    0.0017   -0.0007
            Z     0.0108    0.0010    0.0079   -0.0064   -0.0113    0.0105
 AT.  94 O  X     0.0209   -0.0030   -0.0090   -0.0142   -0.0133   -0.0119
            Y    -0.0053   -0.0005    0.0039    0.0039   -0.0017   -0.0007
            Z     0.0108   -0.0010   -0.0079   -0.0064   -0.0113   -0.0105
 AT.  95 O  X     0.0209    0.0030   -0.0090   -0.0142    0.0133    0.0119
            Y     0.0053   -0.0005   -0.0039   -0.0039   -0.0017   -0.0007
            Z     0.0108    0.0010   -0.0079   -0.0064    0.0113    0.0105
 AT.  96 O  X    -0.0209    0.0030   -0.0090    0.0142   -0.0133    0.0119
            Y    -0.0053   -0.0005   -0.0039    0.0039    0.0017   -0.0007
            Z     0.0108   -0.0010    0.0079   -0.0064    0.0113   -0.0105
 AT.  97 O  X    -0.0209    0.0030    0.0090   -0.0142   -0.0133   -0.0119
            Y     0.0053    0.0005   -0.0039    0.0039   -0.0017   -0.0007
            Z     0.0108   -0.0010   -0.0079    0.0064    0.0113    0.0105
 AT.  98 O  X     0.0209    0.0030    0.0090    0.0142    0.0133   -0.0119
            Y    -0.0053    0.0005   -0.0039   -0.0039    0.0017   -0.0007
            Z     0.0108    0.0010    0.0079    0.0064    0.0113   -0.0105
 AT.  99 O  X     0.0209   -0.0030    0.0090    0.0142   -0.0133    0.0119
            Y     0.0053    0.0005    0.0039    0.0039    0.0017   -0.0007
            Z     0.0108   -0.0010    0.0079    0.0064   -0.0113    0.0105
 AT. 100 O  X    -0.0209   -0.0030    0.0090   -0.0142    0.0133    0.0119
            Y    -0.0053    0.0005    0.0039   -0.0039   -0.0017   -0.0007
            Z     0.0108    0.0010   -0.0079    0.0064   -0.0113   -0.0105
 AT. 101 O  X     0.0044    0.0013    0.0003   -0.0027   -0.0016    0.0016
            Y    -0.0088   -0.0032   -0.0112    0.0094    0.0088   -0.0073
            Z    -0.0072   -0.0038   -0.0084    0.0060    0.0079   -0.0061
 AT. 102 O  X    -0.0044    0.0013    0.0003    0.0027    0.0016    0.0016
            Y     0.0088   -0.0032   -0.0112   -0.0094   -0.0088   -0.0073
            Z    -0.0072    0.0038    0.0084    0.0060    0.0079    0.0061
 AT. 103 O  X    -0.0044   -0.0013    0.0003    0.0027   -0.0016   -0.0016
            Y    -0.0088   -0.0032    0.0112    0.0094   -0.0088   -0.0073
            Z    -0.0072   -0.0038    0.0084    0.0060   -0.0079   -0.0061
 AT. 104 O  X     0.0044   -0.0013    0.0003   -0.0027    0.0016   -0.0016
            Y     0.0088   -0.0032    0.0112   -0.0094    0.0088   -0.0073
            Z    -0.0072    0.0038   -0.0084    0.0060   -0.0079    0.0061
 AT. 105 O  X     0.0044   -0.0013   -0.0003    0.0027    0.0016    0.0016
            Y    -0.0088    0.0032    0.0112   -0.0094   -0.0088   -0.0073
            Z    -0.0072    0.0038    0.0084   -0.0060   -0.0079   -0.0061
 AT. 106 O  X    -0.0044   -0.0013   -0.0003   -0.0027   -0.0016    0.0016
            Y     0.0088    0.0032    0.0112    0.0094    0.0088   -0.0073
            Z    -0.0072   -0.0038   -0.0084   -0.0060   -0.0079    0.0061
 AT. 107 O  X    -0.0044    0.0013   -0.0003   -0.0027    0.0016   -0.0016
            Y    -0.0088    0.0032   -0.0112   -0.0094    0.0088   -0.0073
            Z    -0.0072    0.0038   -0.0084   -0.0060    0.0079   -0.0061
 AT. 108 O  X     0.0044    0.0013   -0.0003    0.0027   -0.0016   -0.0016
            Y     0.0088    0.0032   -0.0112    0.0094   -0.0088   -0.0073
            Z    -0.0072   -0.0038    0.0084   -0.0060    0.0079    0.0061
 AT. 109 O  X    -0.0052   -0.0008   -0.0027    0.0026    0.0044   -0.0036
            Y     0.0115    0.0024    0.0110   -0.0110   -0.0092    0.0076
            Z    -0.0031    0.0044   -0.0026    0.0047   -0.0034    0.0020
 AT. 110 O  X     0.0052   -0.0008   -0.0027   -0.0026   -0.0044   -0.0036
            Y    -0.0115    0.0024    0.0110    0.0110    0.0092    0.0076
            Z    -0.0031   -0.0044    0.0026    0.0047   -0.0034   -0.0020
 AT. 111 O  X     0.0052    0.0008   -0.0027   -0.0026    0.0044    0.0036
            Y     0.0115    0.0024   -0.0110   -0.0110    0.0092    0.0076
            Z    -0.0031    0.0044    0.0026    0.0047    0.0034    0.0020
 AT. 112 O  X    -0.0052    0.0008   -0.0027    0.0026   -0.0044    0.0036
            Y    -0.0115    0.0024   -0.0110    0.0110   -0.0092    0.0076
            Z    -0.0031   -0.0044   -0.0026    0.0047    0.0034   -0.0020
 AT. 113 O  X    -0.0052    0.0008    0.0027   -0.0026   -0.0044   -0.0036
            Y     0.0115   -0.0024   -0.0110    0.0110    0.0092    0.0076
            Z    -0.0031   -0.0044    0.0026   -0.0047    0.0034    0.0020
 AT. 114 O  X     0.0052    0.0008    0.0027    0.0026    0.0044   -0.0036
            Y    -0.0115   -0.0024   -0.0110   -0.0110   -0.0092    0.0076
            Z    -0.0031    0.0044   -0.0026   -0.0047    0.0034   -0.0020
 AT. 115 O  X     0.0052   -0.0008    0.0027    0.0026   -0.0044    0.0036
            Y     0.0115   -0.0024    0.0110    0.0110   -0.0092    0.0076
            Z    -0.0031   -0.0044   -0.0026   -0.0047   -0.0034    0.0020
 AT. 116 O  X    -0.0052   -0.0008    0.0027   -0.0026    0.0044    0.0036
            Y    -0.0115   -0.0024    0.0110   -0.0110    0.0092    0.0076
            Z    -0.0031    0.0044    0.0026   -0.0047   -0.0034   -0.0020
 AT. 117 O  X    -0.0077   -0.0004    0.0112   -0.0020    0.0045   -0.0041
            Y     0.0067    0.0049   -0.0165    0.0037   -0.0138    0.0115
            Z    -0.0068   -0.0016    0.0012    0.0025    0.0020   -0.0016
 AT. 118 O  X     0.0077   -0.0004    0.0112    0.0020   -0.0045   -0.0041
            Y    -0.0067    0.0049   -0.0165   -0.0037    0.0138    0.0115
            Z    -0.0068    0.0016   -0.0012    0.0025    0.0020    0.0016
 AT. 119 O  X     0.0077    0.0004    0.0112    0.0020    0.0045    0.0041
            Y     0.0067    0.0049    0.0165    0.0037    0.0138    0.0115
            Z    -0.0068   -0.0016   -0.0012    0.0025   -0.0020   -0.0016
 AT. 120 O  X    -0.0077    0.0004    0.0112   -0.0020   -0.0045    0.0041
            Y    -0.0067    0.0049    0.0165   -0.0037   -0.0138    0.0115
            Z    -0.0068    0.0016    0.0012    0.0025   -0.0020    0.0016
 AT. 121 O  X    -0.0077    0.0004   -0.0112    0.0020   -0.0045   -0.0041
            Y     0.0067   -0.0049    0.0165   -0.0037    0.0138    0.0115
            Z    -0.0068    0.0016   -0.0012   -0.0025   -0.0020   -0.0016
 AT. 122 O  X     0.0077    0.0004   -0.0112   -0.0020    0.0045   -0.0041
            Y    -0.0067   -0.0049    0.0165    0.0037   -0.0138    0.0115
            Z    -0.0068   -0.0016    0.0012   -0.0025   -0.0020    0.0016
 AT. 123 O  X     0.0077   -0.0004   -0.0112   -0.0020   -0.0045    0.0041
            Y     0.0067   -0.0049   -0.0165   -0.0037   -0.0138    0.0115
            Z    -0.0068    0.0016    0.0012   -0.0025    0.0020   -0.0016
 AT. 124 O  X    -0.0077   -0.0004   -0.0112    0.0020    0.0045    0.0041
            Y    -0.0067   -0.0049   -0.0165    0.0037    0.0138    0.0115
            Z    -0.0068   -0.0016   -0.0012   -0.0025    0.0020    0.0016

 FREQ(CM**-1)    410.76    412.47    416.80    421.25    421.86    424.10

 AT.   1 SI X     0.0021   -0.0023    0.0007    0.0015    0.0009    0.0009
            Y    -0.0035    0.0025    0.0015   -0.0012    0.0015   -0.0013
            Z    -0.0023    0.0004    0.0009    0.0012    0.0074    0.0023
 AT.   2 SI X    -0.0021   -0.0023   -0.0007    0.0015    0.0009   -0.0009
            Y     0.0035    0.0025   -0.0015   -0.0012    0.0015    0.0013
            Z    -0.0023   -0.0004    0.0009   -0.0012   -0.0074    0.0023
 AT.   3 SI X     0.0021   -0.0023   -0.0007   -0.0015   -0.0009   -0.0009
            Y     0.0035   -0.0025    0.0015   -0.0012    0.0015   -0.0013
            Z     0.0023   -0.0004    0.0009    0.0012    0.0074    0.0023
 AT.   4 SI X    -0.0021   -0.0023    0.0007   -0.0015   -0.0009    0.0009
            Y    -0.0035   -0.0025   -0.0015   -0.0012    0.0015    0.0013
            Z     0.0023    0.0004    0.0009   -0.0012   -0.0074    0.0023
 AT.   5 SI X     0.0021   -0.0023    0.0007   -0.0015    0.0009   -0.0009
            Y    -0.0035    0.0025    0.0015    0.0012    0.0015    0.0013
            Z    -0.0023    0.0004    0.0009   -0.0012    0.0074   -0.0023
 AT.   6 SI X    -0.0021   -0.0023   -0.0007   -0.0015    0.0009    0.0009
            Y     0.0035    0.0025   -0.0015    0.0012    0.0015   -0.0013
            Z    -0.0023   -0.0004    0.0009    0.0012   -0.0074   -0.0023
 AT.   7 SI X     0.0021   -0.0023   -0.0007    0.0015   -0.0009    0.0009
            Y     0.0035   -0.0025    0.0015    0.0012    0.0015    0.0013
            Z     0.0023   -0.0004    0.0009   -0.0012    0.0074   -0.0023
 AT.   8 SI X    -0.0021   -0.0023    0.0007    0.0015   -0.0009   -0.0009
            Y    -0.0035   -0.0025   -0.0015    0.0012    0.0015   -0.0013
            Z     0.0023    0.0004    0.0009    0.0012   -0.0074   -0.0023
 AT.   9 SI X    -0.0011    0.0007   -0.0010    0.0021   -0.0016    0.0006
            Y    -0.0033    0.0017   -0.0018    0.0011   -0.0045   -0.0053
            Z     0.0009    0.0010   -0.0013    0.0001    0.0023   -0.0005
 AT.  10 SI X     0.0011    0.0007    0.0010    0.0021   -0.0016   -0.0006
            Y     0.0033    0.0017    0.0018    0.0011   -0.0045    0.0053
            Z     0.0009   -0.0010   -0.0013   -0.0001   -0.0023   -0.0005
 AT.  11 SI X    -0.0011    0.0007    0.0010   -0.0021    0.0016   -0.0006
            Y     0.0033   -0.0017   -0.0018    0.0011   -0.0045   -0.0053
            Z    -0.0009   -0.0010   -0.0013    0.0001    0.0023   -0.0005
 AT.  12 SI X     0.0011    0.0007   -0.0010   -0.0021    0.0016    0.0006
            Y    -0.0033   -0.0017    0.0018    0.0011   -0.0045    0.0053
            Z    -0.0009    0.0010   -0.0013   -0.0001   -0.0023   -0.0005
 AT.  13 SI X    -0.0011    0.0007   -0.0010   -0.0021   -0.0016   -0.0006
            Y    -0.0033    0.0017   -0.0018   -0.0011   -0.0045    0.0053
            Z     0.0009    0.0010   -0.0013   -0.0001    0.0023    0.0005
 AT.  14 SI X     0.0011    0.0007    0.0010   -0.0021   -0.0016    0.0006
            Y     0.0033    0.0017    0.0018   -0.0011   -0.0045   -0.0053
            Z     0.0009   -0.0010   -0.0013    0.0001   -0.0023    0.0005
 AT.  15 SI X    -0.0011    0.0007    0.0010    0.0021    0.0016    0.0006
            Y     0.0033   -0.0017   -0.0018   -0.0011   -0.0045    0.0053
            Z    -0.0009   -0.0010   -0.0013   -0.0001    0.0023    0.0005
 AT.  16 SI X     0.0011    0.0007   -0.0010    0.0021    0.0016   -0.0006
            Y    -0.0033   -0.0017    0.0018   -0.0011   -0.0045   -0.0053
            Z    -0.0009    0.0010   -0.0013    0.0001   -0.0023    0.0005
 AT.  17 SI X     0.0000    0.0005   -0.0003    0.0000    0.0000   -0.0031
            Y     0.0045    0.0000    0.0000   -0.0051    0.0025    0.0000
            Z     0.0000   -0.0039   -0.0034    0.0000    0.0000    0.0024
 AT.  18 SI X     0.0000    0.0005    0.0003    0.0000    0.0000    0.0031
            Y    -0.0045    0.0000    0.0000   -0.0051    0.0025    0.0000
            Z     0.0000    0.0039   -0.0034    0.0000    0.0000    0.0024
 AT.  19 SI X     0.0000    0.0005   -0.0003    0.0000    0.0000    0.0031
            Y     0.0045    0.0000    0.0000    0.0051    0.0025    0.0000
            Z     0.0000   -0.0039   -0.0034    0.0000    0.0000   -0.0024
 AT.  20 SI X     0.0000    0.0005    0.0003    0.0000    0.0000   -0.0031
            Y    -0.0045    0.0000    0.0000    0.0051    0.0025    0.0000
            Z     0.0000    0.0039   -0.0034    0.0000    0.0000   -0.0024
 AT.  21 CA X     0.0001   -0.0004    0.0012    0.0000    0.0004   -0.0002
            Y     0.0026   -0.0012    0.0011    0.0012    0.0013    0.0026
            Z     0.0019   -0.0021   -0.0024   -0.0006   -0.0045   -0.0018
 AT.  22 CA X    -0.0001   -0.0004   -0.0012    0.0000    0.0004    0.0002
            Y    -0.0026   -0.0012   -0.0011    0.0012    0.0013   -0.0026
            Z     0.0019    0.0021   -0.0024    0.0006    0.0045   -0.0018
 AT.  23 CA X     0.0001   -0.0004   -0.0012    0.0000   -0.0004    0.0002
            Y    -0.0026    0.0012    0.0011    0.0012    0.0013    0.0026
            Z    -0.0019    0.0021   -0.0024   -0.0006   -0.0045   -0.0018
 AT.  24 CA X    -0.0001   -0.0004    0.0012    0.0000   -0.0004   -0.0002
            Y     0.0026    0.0012   -0.0011    0.0012    0.0013   -0.0026
            Z    -0.0019   -0.0021   -0.0024    0.0006    0.0045   -0.0018
 AT.  25 CA X     0.0001   -0.0004    0.0012    0.0000    0.0004    0.0002
            Y     0.0026   -0.0012    0.0011   -0.0012    0.0013   -0.0026
            Z     0.0019   -0.0021   -0.0024    0.0006   -0.0045    0.0018
 AT.  26 CA X    -0.0001   -0.0004   -0.0012    0.0000    0.0004   -0.0002
            Y    -0.0026   -0.0012   -0.0011   -0.0012    0.0013    0.0026
            Z     0.0019    0.0021   -0.0024   -0.0006    0.0045    0.0018
 AT.  27 CA X     0.0001   -0.0004   -0.0012    0.0000   -0.0004   -0.0002
            Y    -0.0026    0.0012    0.0011   -0.0012    0.0013   -0.0026
            Z    -0.0019    0.0021   -0.0024    0.0006   -0.0045    0.0018
 AT.  28 CA X    -0.0001   -0.0004    0.0012    0.0000   -0.0004    0.0002
            Y     0.0026    0.0012   -0.0011   -0.0012    0.0013    0.0026
            Z    -0.0019   -0.0021   -0.0024   -0.0006    0.0045    0.0018
 AT.  29 CA X     0.0023   -0.0007    0.0020    0.0000   -0.0028    0.0000
            Y     0.0056   -0.0039    0.0006    0.0000   -0.0004    0.0000
            Z     0.0013    0.0016   -0.0019    0.0000   -0.0070    0.0000
 AT.  30 CA X    -0.0023   -0.0007   -0.0020    0.0000   -0.0028    0.0000
            Y    -0.0056   -0.0039   -0.0006    0.0000   -0.0004    0.0000
            Z     0.0013   -0.0016   -0.0019    0.0000    0.0070    0.0000
 AT.  31 CA X     0.0023   -0.0007   -0.0020    0.0000    0.0028    0.0000
            Y    -0.0056    0.0039    0.0006    0.0000   -0.0004    0.0000
            Z    -0.0013   -0.0016   -0.0019    0.0000   -0.0070    0.0000
 AT.  32 CA X    -0.0023   -0.0007    0.0020    0.0000    0.0028    0.0000
            Y     0.0056    0.0039   -0.0006    0.0000   -0.0004    0.0000
            Z    -0.0013    0.0016   -0.0019    0.0000    0.0070    0.0000
 AT.  33 CA X    -0.0013    0.0033   -0.0013   -0.0019    0.0013    0.0016
            Y     0.0005    0.0008   -0.0006    0.0018    0.0011    0.0033
            Z    -0.0011   -0.0021    0.0005    0.0024   -0.0027   -0.0024
 AT.  34 CA X     0.0013    0.0033    0.0013   -0.0019    0.0013   -0.0016
            Y    -0.0005    0.0008    0.0006    0.0018    0.0011   -0.0033
            Z    -0.0011    0.0021    0.0005   -0.0024    0.0027   -0.0024
 AT.  35 CA X    -0.0013    0.0033    0.0013    0.0019   -0.0013   -0.0016
            Y    -0.0005   -0.0008   -0.0006    0.0018    0.0011    0.0033
            Z     0.0011    0.0021    0.0005    0.0024   -0.0027   -0.0024
 AT.  36 CA X     0.0013    0.0033   -0.0013    0.0019   -0.0013    0.0016
            Y     0.0005   -0.0008    0.0006    0.0018    0.0011   -0.0033
            Z     0.0011   -0.0021    0.0005   -0.0024    0.0027   -0.0024
 AT.  37 CA X    -0.0013    0.0033   -0.0013    0.0019    0.0013   -0.0016
            Y     0.0005    0.0008   -0.0006   -0.0018    0.0011   -0.0033
            Z    -0.0011   -0.0021    0.0005   -0.0024   -0.0027    0.0024
 AT.  38 CA X     0.0013    0.0033    0.0013    0.0019    0.0013    0.0016
            Y    -0.0005    0.0008    0.0006   -0.0018    0.0011    0.0033
            Z    -0.0011    0.0021    0.0005    0.0024    0.0027    0.0024
 AT.  39 CA X    -0.0013    0.0033    0.0013   -0.0019   -0.0013    0.0016
            Y    -0.0005   -0.0008   -0.0006   -0.0018    0.0011   -0.0033
            Z     0.0011    0.0021    0.0005   -0.0024   -0.0027    0.0024
 AT.  40 CA X     0.0013    0.0033   -0.0013   -0.0019   -0.0013   -0.0016
            Y     0.0005   -0.0008    0.0006   -0.0018    0.0011    0.0033
            Z     0.0011   -0.0021    0.0005    0.0024    0.0027    0.0024
 AT.  41 CA X     0.0000    0.0011   -0.0031    0.0009   -0.0019    0.0037
            Y     0.0007    0.0001   -0.0012    0.0001   -0.0009    0.0035
            Z     0.0007   -0.0014    0.0001    0.0024   -0.0027    0.0006
 AT.  42 CA X     0.0000    0.0011    0.0031    0.0009   -0.0019   -0.0037
            Y    -0.0007    0.0001    0.0012    0.0001   -0.0009   -0.0035
            Z     0.0007    0.0014    0.0001   -0.0024    0.0027    0.0006
 AT.  43 CA X     0.0000    0.0011    0.0031   -0.0009    0.0019   -0.0037
            Y    -0.0007   -0.0001   -0.0012    0.0001   -0.0009    0.0035
            Z    -0.0007    0.0014    0.0001    0.0024   -0.0027    0.0006
 AT.  44 CA X     0.0000    0.0011   -0.0031   -0.0009    0.0019    0.0037
            Y     0.0007   -0.0001    0.0012    0.0001   -0.0009   -0.0035
            Z    -0.0007   -0.0014    0.0001   -0.0024    0.0027    0.0006
 AT.  45 CA X     0.0000    0.0011   -0.0031   -0.0009   -0.0019   -0.0037
            Y     0.0007    0.0001   -0.0012   -0.0001   -0.0009   -0.0035
            Z     0.0007   -0.0014    0.0001   -0.0024   -0.0027   -0.0006
 AT.  46 CA X     0.0000    0.0011    0.0031   -0.0009   -0.0019    0.0037
            Y    -0.0007    0.0001    0.0012   -0.0001   -0.0009    0.0035
            Z     0.0007    0.0014    0.0001    0.0024    0.0027   -0.0006
 AT.  47 CA X     0.0000    0.0011    0.0031    0.0009    0.0019    0.0037
            Y    -0.0007   -0.0001   -0.0012   -0.0001   -0.0009   -0.0035
            Z    -0.0007    0.0014    0.0001   -0.0024   -0.0027   -0.0006
 AT.  48 CA X     0.0000    0.0011   -0.0031    0.0009    0.0019   -0.0037
            Y     0.0007   -0.0001    0.0012   -0.0001   -0.0009    0.0035
            Z    -0.0007   -0.0014    0.0001    0.0024    0.0027   -0.0006
 AT.  49 CA X     0.0000   -0.0001   -0.0003    0.0000    0.0000    0.0006
            Y     0.0031    0.0000    0.0000   -0.0017   -0.0021    0.0000
            Z     0.0000    0.0004    0.0012    0.0000    0.0000    0.0014
 AT.  50 CA X     0.0000   -0.0001    0.0003    0.0000    0.0000   -0.0006
            Y    -0.0031    0.0000    0.0000   -0.0017   -0.0021    0.0000
            Z     0.0000   -0.0004    0.0012    0.0000    0.0000    0.0014
 AT.  51 CA X     0.0000   -0.0001   -0.0003    0.0000    0.0000   -0.0006
            Y     0.0031    0.0000    0.0000    0.0017   -0.0021    0.0000
            Z     0.0000    0.0004    0.0012    0.0000    0.0000   -0.0014
 AT.  52 CA X     0.0000   -0.0001    0.0003    0.0000    0.0000    0.0006
            Y    -0.0031    0.0000    0.0000    0.0017   -0.0021    0.0000
            Z     0.0000   -0.0004    0.0012    0.0000    0.0000   -0.0014
 AT.  53 O  X     0.0168   -0.0168    0.0084    0.0179    0.0178    0.0178
            Y    -0.0056    0.0052   -0.0009   -0.0050   -0.0033   -0.0051
            Z    -0.0139    0.0145   -0.0185    0.0078   -0.0127    0.0096
 AT.  54 O  X    -0.0168   -0.0168   -0.0084    0.0179    0.0178   -0.0178
            Y     0.0056    0.0052    0.0009   -0.0050   -0.0033    0.0051
            Z    -0.0139   -0.0145   -0.0185   -0.0078    0.0127    0.0096
 AT.  55 O  X     0.0168   -0.0168   -0.0084   -0.0179   -0.0178   -0.0178
            Y     0.0056   -0.0052   -0.0009   -0.0050   -0.0033   -0.0051
            Z     0.0139   -0.0145   -0.0185    0.0078   -0.0127    0.0096
 AT.  56 O  X    -0.0168   -0.0168    0.0084   -0.0179   -0.0178    0.0178
            Y    -0.0056   -0.0052    0.0009   -0.0050   -0.0033    0.0051
            Z     0.0139    0.0145   -0.0185   -0.0078    0.0127    0.0096
 AT.  57 O  X     0.0168   -0.0168    0.0084   -0.0179    0.0178   -0.0178
            Y    -0.0056    0.0052   -0.0009    0.0050   -0.0033    0.0051
            Z    -0.0139    0.0145   -0.0185   -0.0078   -0.0127   -0.0096
 AT.  58 O  X    -0.0168   -0.0168   -0.0084   -0.0179    0.0178    0.0178
            Y     0.0056    0.0052    0.0009    0.0050   -0.0033   -0.0051
            Z    -0.0139   -0.0145   -0.0185    0.0078    0.0127   -0.0096
 AT.  59 O  X     0.0168   -0.0168   -0.0084    0.0179   -0.0178    0.0178
            Y     0.0056   -0.0052   -0.0009    0.0050   -0.0033    0.0051
            Z     0.0139   -0.0145   -0.0185   -0.0078   -0.0127   -0.0096
 AT.  60 O  X    -0.0168   -0.0168    0.0084    0.0179   -0.0178   -0.0178
            Y    -0.0056   -0.0052    0.0009    0.0050   -0.0033   -0.0051
            Z     0.0139    0.0145   -0.0185    0.0078    0.0127   -0.0096
 AT.  61 O  X     0.0085   -0.0087    0.0183   -0.0213    0.0081   -0.0283
            Y     0.0089   -0.0112    0.0083    0.0025    0.0102   -0.0006
            Z    -0.0083    0.0074    0.0022   -0.0083    0.0025   -0.0081
 AT.  62 O  X    -0.0085   -0.0087   -0.0183   -0.0213    0.0081    0.0283
            Y    -0.0089   -0.0112   -0.0083    0.0025    0.0102    0.0006
            Z    -0.0083   -0.0074    0.0022    0.0083   -0.0025   -0.0081
 AT.  63 O  X     0.0085   -0.0087   -0.0183    0.0213   -0.0081    0.0283
            Y    -0.0089    0.0112    0.0083    0.0025    0.0102   -0.0006
            Z     0.0083   -0.0074    0.0022   -0.0083    0.0025   -0.0081
 AT.  64 O  X    -0.0085   -0.0087    0.0183    0.0213   -0.0081   -0.0283
            Y     0.0089    0.0112   -0.0083    0.0025    0.0102    0.0006
            Z     0.0083    0.0074    0.0022    0.0083   -0.0025   -0.0081
 AT.  65 O  X     0.0085   -0.0087    0.0183    0.0213    0.0081    0.0283
            Y     0.0089   -0.0112    0.0083   -0.0025    0.0102    0.0006
            Z    -0.0083    0.0074    0.0022    0.0083    0.0025    0.0081
 AT.  66 O  X    -0.0085   -0.0087   -0.0183    0.0213    0.0081   -0.0283
            Y    -0.0089   -0.0112   -0.0083   -0.0025    0.0102   -0.0006
            Z    -0.0083   -0.0074    0.0022   -0.0083   -0.0025    0.0081
 AT.  67 O  X     0.0085   -0.0087   -0.0183   -0.0213   -0.0081   -0.0283
            Y    -0.0089    0.0112    0.0083   -0.0025    0.0102    0.0006
            Z     0.0083   -0.0074    0.0022    0.0083    0.0025    0.0081
 AT.  68 O  X    -0.0085   -0.0087    0.0183   -0.0213   -0.0081    0.0283
            Y     0.0089    0.0112   -0.0083   -0.0025    0.0102   -0.0006
            Z     0.0083    0.0074    0.0022   -0.0083   -0.0025    0.0081
 AT.  69 O  X    -0.0264    0.0246   -0.0266    0.0059   -0.0240    0.0115
            Y    -0.0017    0.0017   -0.0071    0.0057   -0.0045    0.0072
            Z     0.0062   -0.0065    0.0052    0.0033    0.0105    0.0036
 AT.  70 O  X     0.0264    0.0246    0.0266    0.0059   -0.0240   -0.0115
            Y     0.0017    0.0017    0.0071    0.0057   -0.0045   -0.0072
            Z     0.0062    0.0065    0.0052   -0.0033   -0.0105    0.0036
 AT.  71 O  X    -0.0264    0.0246    0.0266   -0.0059    0.0240   -0.0115
            Y     0.0017   -0.0017   -0.0071    0.0057   -0.0045    0.0072
            Z    -0.0062    0.0065    0.0052    0.0033    0.0105    0.0036
 AT.  72 O  X     0.0264    0.0246   -0.0266   -0.0059    0.0240    0.0115
            Y    -0.0017   -0.0017    0.0071    0.0057   -0.0045   -0.0072
            Z    -0.0062   -0.0065    0.0052   -0.0033   -0.0105    0.0036
 AT.  73 O  X    -0.0264    0.0246   -0.0266   -0.0059   -0.0240   -0.0115
            Y    -0.0017    0.0017   -0.0071   -0.0057   -0.0045   -0.0072
            Z     0.0062   -0.0065    0.0052   -0.0033    0.0105   -0.0036
 AT.  74 O  X     0.0264    0.0246    0.0266   -0.0059   -0.0240    0.0115
            Y     0.0017    0.0017    0.0071   -0.0057   -0.0045    0.0072
            Z     0.0062    0.0065    0.0052    0.0033   -0.0105   -0.0036
 AT.  75 O  X    -0.0264    0.0246    0.0266    0.0059    0.0240    0.0115
            Y     0.0017   -0.0017   -0.0071   -0.0057   -0.0045   -0.0072
            Z    -0.0062    0.0065    0.0052   -0.0033    0.0105   -0.0036
 AT.  76 O  X     0.0264    0.0246   -0.0266    0.0059    0.0240   -0.0115
            Y    -0.0017   -0.0017    0.0071   -0.0057   -0.0045    0.0072
            Z    -0.0062   -0.0065    0.0052    0.0033   -0.0105   -0.0036
 AT.  77 O  X     0.0018   -0.0024    0.0007    0.0021    0.0012    0.0012
            Y    -0.0102    0.0099   -0.0028   -0.0108   -0.0082   -0.0111
            Z     0.0209   -0.0198    0.0205   -0.0110    0.0118   -0.0154
 AT.  78 O  X    -0.0018   -0.0024   -0.0007    0.0021    0.0012   -0.0012
            Y     0.0102    0.0099    0.0028   -0.0108   -0.0082    0.0111
            Z     0.0209    0.0198    0.0205    0.0110   -0.0118   -0.0154
 AT.  79 O  X     0.0018   -0.0024   -0.0007   -0.0021   -0.0012   -0.0012
            Y     0.0102   -0.0099   -0.0028   -0.0108   -0.0082   -0.0111
            Z    -0.0209    0.0198    0.0205   -0.0110    0.0118   -0.0154
 AT.  80 O  X    -0.0018   -0.0024    0.0007   -0.0021   -0.0012    0.0012
            Y    -0.0102   -0.0099    0.0028   -0.0108   -0.0082    0.0111
            Z    -0.0209   -0.0198    0.0205    0.0110   -0.0118   -0.0154
 AT.  81 O  X     0.0018   -0.0024    0.0007   -0.0021    0.0012   -0.0012
            Y    -0.0102    0.0099   -0.0028    0.0108   -0.0082    0.0111
            Z     0.0209   -0.0198    0.0205    0.0110    0.0118    0.0154
 AT.  82 O  X    -0.0018   -0.0024   -0.0007   -0.0021    0.0012    0.0012
            Y     0.0102    0.0099    0.0028    0.0108   -0.0082   -0.0111
            Z     0.0209    0.0198    0.0205   -0.0110   -0.0118    0.0154
 AT.  83 O  X     0.0018   -0.0024   -0.0007    0.0021   -0.0012    0.0012
            Y     0.0102   -0.0099   -0.0028    0.0108   -0.0082    0.0111
            Z    -0.0209    0.0198    0.0205    0.0110    0.0118    0.0154
 AT.  84 O  X    -0.0018   -0.0024    0.0007    0.0021   -0.0012   -0.0012
            Y    -0.0102   -0.0099    0.0028    0.0108   -0.0082   -0.0111
            Z    -0.0209   -0.0198    0.0205   -0.0110   -0.0118    0.0154
 AT.  85 O  X    -0.0003    0.0020    0.0039   -0.0116    0.0062   -0.0006
            Y     0.0004   -0.0073   -0.0004    0.0063    0.0004    0.0032
            Z    -0.0009    0.0070    0.0017   -0.0076    0.0029   -0.0045
 AT.  86 O  X     0.0003    0.0020   -0.0039   -0.0116    0.0062    0.0006
            Y    -0.0004   -0.0073    0.0004    0.0063    0.0004   -0.0032
            Z    -0.0009   -0.0070    0.0017    0.0076   -0.0029   -0.0045
 AT.  87 O  X    -0.0003    0.0020   -0.0039    0.0116   -0.0062    0.0006
            Y    -0.0004    0.0073   -0.0004    0.0063    0.0004    0.0032
            Z     0.0009   -0.0070    0.0017   -0.0076    0.0029   -0.0045
 AT.  88 O  X     0.0003    0.0020    0.0039    0.0116   -0.0062   -0.0006
            Y     0.0004    0.0073    0.0004    0.0063    0.0004   -0.0032
            Z     0.0009    0.0070    0.0017    0.0076   -0.0029   -0.0045
 AT.  89 O  X    -0.0003    0.0020    0.0039    0.0116    0.0062    0.0006
            Y     0.0004   -0.0073   -0.0004   -0.0063    0.0004   -0.0032
            Z    -0.0009    0.0070    0.0017    0.0076    0.0029    0.0045
 AT.  90 O  X     0.0003    0.0020   -0.0039    0.0116    0.0062   -0.0006
            Y    -0.0004   -0.0073    0.0004   -0.0063    0.0004    0.0032
            Z    -0.0009   -0.0070    0.0017   -0.0076   -0.0029    0.0045
 AT.  91 O  X    -0.0003    0.0020   -0.0039   -0.0116   -0.0062   -0.0006
            Y    -0.0004    0.0073   -0.0004   -0.0063    0.0004   -0.0032
            Z     0.0009   -0.0070    0.0017    0.0076    0.0029    0.0045
 AT.  92 O  X     0.0003    0.0020    0.0039   -0.0116   -0.0062    0.0006
            Y     0.0004    0.0073    0.0004   -0.0063    0.0004    0.0032
            Z     0.0009    0.0070    0.0017   -0.0076   -0.0029    0.0045
 AT.  93 O  X    -0.0019   -0.0060   -0.0059    0.0122   -0.0097   -0.0007
            Y    -0.0028    0.0038   -0.0001   -0.0009   -0.0014   -0.0033
            Z     0.0024    0.0051   -0.0010   -0.0050    0.0040    0.0030
 AT.  94 O  X     0.0019   -0.0060    0.0059    0.0122   -0.0097    0.0007
            Y     0.0028    0.0038    0.0001   -0.0009   -0.0014    0.0033
            Z     0.0024   -0.0051   -0.0010    0.0050   -0.0040    0.0030
 AT.  95 O  X    -0.0019   -0.0060    0.0059   -0.0122    0.0097    0.0007
            Y     0.0028   -0.0038   -0.0001   -0.0009   -0.0014   -0.0033
            Z    -0.0024   -0.0051   -0.0010   -0.0050    0.0040    0.0030
 AT.  96 O  X     0.0019   -0.0060   -0.0059   -0.0122    0.0097   -0.0007
            Y    -0.0028   -0.0038    0.0001   -0.0009   -0.0014    0.0033
            Z    -0.0024    0.0051   -0.0010    0.0050   -0.0040    0.0030
 AT.  97 O  X    -0.0019   -0.0060   -0.0059   -0.0122   -0.0097    0.0007
            Y    -0.0028    0.0038   -0.0001    0.0009   -0.0014    0.0033
            Z     0.0024    0.0051   -0.0010    0.0050    0.0040   -0.0030
 AT.  98 O  X     0.0019   -0.0060    0.0059   -0.0122   -0.0097   -0.0007
            Y     0.0028    0.0038    0.0001    0.0009   -0.0014   -0.0033
            Z     0.0024   -0.0051   -0.0010   -0.0050   -0.0040   -0.0030
 AT.  99 O  X    -0.0019   -0.0060    0.0059    0.0122    0.0097   -0.0007
            Y     0.0028   -0.0038   -0.0001    0.0009   -0.0014    0.0033
            Z    -0.0024   -0.0051   -0.0010    0.0050    0.0040   -0.0030
 AT. 100 O  X     0.0019   -0.0060   -0.0059    0.0122    0.0097    0.0007
            Y    -0.0028   -0.0038    0.0001    0.0009   -0.0014   -0.0033
            Z    -0.0024    0.0051   -0.0010   -0.0050   -0.0040   -0.0030
 AT. 101 O  X     0.0031    0.0028    0.0011   -0.0025    0.0022   -0.0018
            Y    -0.0029   -0.0020   -0.0006    0.0101   -0.0041   -0.0020
            Z    -0.0029   -0.0018    0.0000    0.0089   -0.0024    0.0030
 AT. 102 O  X    -0.0031    0.0028   -0.0011   -0.0025    0.0022    0.0018
            Y     0.0029   -0.0020    0.0006    0.0101   -0.0041    0.0020
            Z    -0.0029    0.0018    0.0000   -0.0089    0.0024    0.0030
 AT. 103 O  X     0.0031    0.0028   -0.0011    0.0025   -0.0022    0.0018
            Y     0.0029    0.0020   -0.0006    0.0101   -0.0041   -0.0020
            Z     0.0029    0.0018    0.0000    0.0089   -0.0024    0.0030
 AT. 104 O  X    -0.0031    0.0028    0.0011    0.0025   -0.0022   -0.0018
            Y    -0.0029    0.0020    0.0006    0.0101   -0.0041    0.0020
            Z     0.0029   -0.0018    0.0000   -0.0089    0.0024    0.0030
 AT. 105 O  X     0.0031    0.0028    0.0011    0.0025    0.0022    0.0018
            Y    -0.0029   -0.0020   -0.0006   -0.0101   -0.0041    0.0020
            Z    -0.0029   -0.0018    0.0000   -0.0089   -0.0024   -0.0030
 AT. 106 O  X    -0.0031    0.0028   -0.0011    0.0025    0.0022   -0.0018
            Y     0.0029   -0.0020    0.0006   -0.0101   -0.0041   -0.0020
            Z    -0.0029    0.0018    0.0000    0.0089    0.0024   -0.0030
 AT. 107 O  X     0.0031    0.0028   -0.0011   -0.0025   -0.0022   -0.0018
            Y     0.0029    0.0020   -0.0006   -0.0101   -0.0041    0.0020
            Z     0.0029    0.0018    0.0000   -0.0089   -0.0024   -0.0030
 AT. 108 O  X    -0.0031    0.0028    0.0011   -0.0025   -0.0022    0.0018
            Y    -0.0029    0.0020    0.0006   -0.0101   -0.0041   -0.0020
            Z     0.0029   -0.0018    0.0000    0.0089    0.0024   -0.0030
 AT. 109 O  X    -0.0014    0.0005   -0.0011    0.0025   -0.0027    0.0002
            Y     0.0019    0.0026    0.0019   -0.0116    0.0047    0.0024
            Z     0.0034   -0.0047    0.0014   -0.0033    0.0023    0.0001
 AT. 110 O  X     0.0014    0.0005    0.0011    0.0025   -0.0027   -0.0002
            Y    -0.0019    0.0026   -0.0019   -0.0116    0.0047   -0.0024
            Z     0.0034    0.0047    0.0014    0.0033   -0.0023    0.0001
 AT. 111 O  X    -0.0014    0.0005    0.0011   -0.0025    0.0027   -0.0002
            Y    -0.0019   -0.0026    0.0019   -0.0116    0.0047    0.0024
            Z    -0.0034    0.0047    0.0014   -0.0033    0.0023    0.0001
 AT. 112 O  X     0.0014    0.0005   -0.0011   -0.0025    0.0027    0.0002
            Y     0.0019   -0.0026   -0.0019   -0.0116    0.0047   -0.0024
            Z    -0.0034   -0.0047    0.0014    0.0033   -0.0023    0.0001
 AT. 113 O  X    -0.0014    0.0005   -0.0011   -0.0025   -0.0027   -0.0002
            Y     0.0019    0.0026    0.0019    0.0116    0.0047   -0.0024
            Z     0.0034   -0.0047    0.0014    0.0033    0.0023   -0.0001
 AT. 114 O  X     0.0014    0.0005    0.0011   -0.0025   -0.0027    0.0002
            Y    -0.0019    0.0026   -0.0019    0.0116    0.0047    0.0024
            Z     0.0034    0.0047    0.0014   -0.0033   -0.0023   -0.0001
 AT. 115 O  X    -0.0014    0.0005    0.0011    0.0025    0.0027    0.0002
            Y    -0.0019   -0.0026    0.0019    0.0116    0.0047   -0.0024
            Z    -0.0034    0.0047    0.0014    0.0033    0.0023   -0.0001
 AT. 116 O  X     0.0014    0.0005   -0.0011    0.0025    0.0027   -0.0002
            Y     0.0019   -0.0026   -0.0019    0.0116    0.0047    0.0024
            Z    -0.0034   -0.0047    0.0014   -0.0033   -0.0023   -0.0001
 AT. 117 O  X    -0.0007   -0.0027   -0.0051    0.0010   -0.0041   -0.0009
            Y     0.0070   -0.0013    0.0055   -0.0108    0.0083    0.0065
            Z    -0.0009    0.0000   -0.0026    0.0040    0.0005   -0.0050
 AT. 118 O  X     0.0007   -0.0027    0.0051    0.0010   -0.0041    0.0009
            Y    -0.0070   -0.0013   -0.0055   -0.0108    0.0083   -0.0065
            Z    -0.0009    0.0000   -0.0026   -0.0040   -0.0005   -0.0050
 AT. 119 O  X    -0.0007   -0.0027    0.0051   -0.0010    0.0041    0.0009
            Y    -0.0070    0.0013    0.0055   -0.0108    0.0083    0.0065
            Z     0.0009    0.0000   -0.0026    0.0040    0.0005   -0.0050
 AT. 120 O  X     0.0007   -0.0027   -0.0051   -0.0010    0.0041   -0.0009
            Y     0.0070    0.0013   -0.0055   -0.0108    0.0083   -0.0065
            Z     0.0009    0.0000   -0.0026   -0.0040   -0.0005   -0.0050
 AT. 121 O  X    -0.0007   -0.0027   -0.0051   -0.0010   -0.0041    0.0009
            Y     0.0070   -0.0013    0.0055    0.0108    0.0083   -0.0065
            Z    -0.0009    0.0000   -0.0026   -0.0040    0.0005    0.0050
 AT. 122 O  X     0.0007   -0.0027    0.0051   -0.0010   -0.0041   -0.0009
            Y    -0.0070   -0.0013   -0.0055    0.0108    0.0083    0.0065
            Z    -0.0009    0.0000   -0.0026    0.0040   -0.0005    0.0050
 AT. 123 O  X    -0.0007   -0.0027    0.0051    0.0010    0.0041   -0.0009
            Y    -0.0070    0.0013    0.0055    0.0108    0.0083   -0.0065
            Z     0.0009    0.0000   -0.0026   -0.0040    0.0005    0.0050
 AT. 124 O  X     0.0007   -0.0027   -0.0051    0.0010    0.0041    0.0009
            Y     0.0070    0.0013   -0.0055    0.0108    0.0083    0.0065
            Z     0.0009    0.0000   -0.0026    0.0040   -0.0005    0.0050

 FREQ(CM**-1)    424.73    425.00    425.68    427.82    428.94    429.78

 AT.   1 SI X     0.0002    0.0002   -0.0011    0.0005   -0.0002    0.0001
            Y     0.0011    0.0011   -0.0001    0.0003   -0.0008   -0.0006
            Z    -0.0010   -0.0013   -0.0019    0.0011    0.0038    0.0023
 AT.   2 SI X    -0.0002    0.0002    0.0011    0.0005    0.0002    0.0001
            Y    -0.0011    0.0011    0.0001    0.0003    0.0008   -0.0006
            Z    -0.0010    0.0013   -0.0019   -0.0011    0.0038   -0.0023
 AT.   3 SI X     0.0002    0.0002   -0.0011   -0.0005    0.0002    0.0001
            Y    -0.0011   -0.0011    0.0001    0.0003   -0.0008    0.0006
            Z     0.0010    0.0013    0.0019    0.0011    0.0038   -0.0023
 AT.   4 SI X    -0.0002    0.0002    0.0011   -0.0005   -0.0002    0.0001
            Y     0.0011   -0.0011   -0.0001    0.0003    0.0008    0.0006
            Z     0.0010   -0.0013    0.0019   -0.0011    0.0038    0.0023
 AT.   5 SI X     0.0002    0.0002   -0.0011   -0.0005   -0.0002   -0.0001
            Y     0.0011    0.0011   -0.0001   -0.0003   -0.0008    0.0006
            Z    -0.0010   -0.0013   -0.0019   -0.0011    0.0038   -0.0023
 AT.   6 SI X    -0.0002    0.0002    0.0011   -0.0005    0.0002   -0.0001
            Y    -0.0011    0.0011    0.0001   -0.0003    0.0008    0.0006
            Z    -0.0010    0.0013   -0.0019    0.0011    0.0038    0.0023
 AT.   7 SI X     0.0002    0.0002   -0.0011    0.0005    0.0002   -0.0001
            Y    -0.0011   -0.0011    0.0001   -0.0003   -0.0008   -0.0006
            Z     0.0010    0.0013    0.0019   -0.0011    0.0038    0.0023
 AT.   8 SI X    -0.0002    0.0002    0.0011    0.0005   -0.0002   -0.0001
            Y     0.0011   -0.0011   -0.0001   -0.0003    0.0008   -0.0006
            Z     0.0010   -0.0013    0.0019    0.0011    0.0038   -0.0023
 AT.   9 SI X    -0.0010   -0.0007   -0.0010    0.0001   -0.0021    0.0023
            Y     0.0027    0.0017   -0.0054   -0.0067   -0.0089    0.0048
            Z     0.0007    0.0022    0.0005    0.0009   -0.0032    0.0070
 AT.  10 SI X     0.0010   -0.0007    0.0010    0.0001    0.0021    0.0023
            Y    -0.0027    0.0017    0.0054   -0.0067    0.0089    0.0048
            Z     0.0007   -0.0022    0.0005   -0.0009   -0.0032   -0.0070
 AT.  11 SI X    -0.0010   -0.0007   -0.0010   -0.0001    0.0021    0.0023
            Y    -0.0027   -0.0017    0.0054   -0.0067   -0.0089   -0.0048
            Z    -0.0007   -0.0022   -0.0005    0.0009   -0.0032   -0.0070
 AT.  12 SI X     0.0010   -0.0007    0.0010   -0.0001   -0.0021    0.0023
            Y     0.0027   -0.0017   -0.0054   -0.0067    0.0089   -0.0048
            Z    -0.0007    0.0022   -0.0005   -0.0009   -0.0032    0.0070
 AT.  13 SI X    -0.0010   -0.0007   -0.0010   -0.0001   -0.0021   -0.0023
            Y     0.0027    0.0017   -0.0054    0.0067   -0.0089   -0.0048
            Z     0.0007    0.0022    0.0005   -0.0009   -0.0032   -0.0070
 AT.  14 SI X     0.0010   -0.0007    0.0010   -0.0001    0.0021   -0.0023
            Y    -0.0027    0.0017    0.0054    0.0067    0.0089   -0.0048
            Z     0.0007   -0.0022    0.0005    0.0009   -0.0032    0.0070
 AT.  15 SI X    -0.0010   -0.0007   -0.0010    0.0001    0.0021   -0.0023
            Y    -0.0027   -0.0017    0.0054    0.0067   -0.0089    0.0048
            Z    -0.0007   -0.0022   -0.0005   -0.0009   -0.0032    0.0070
 AT.  16 SI X     0.0010   -0.0007    0.0010    0.0001   -0.0021   -0.0023
            Y     0.0027   -0.0017   -0.0054    0.0067    0.0089    0.0048
            Z    -0.0007    0.0022   -0.0005    0.0009   -0.0032   -0.0070
 AT.  17 SI X     0.0000    0.0007    0.0000    0.0000   -0.0041   -0.0007
            Y    -0.0044    0.0000    0.0119    0.0111    0.0000    0.0000
            Z     0.0000    0.0011    0.0000    0.0000    0.0157   -0.0117
 AT.  18 SI X     0.0000    0.0007    0.0000    0.0000    0.0041   -0.0007
            Y     0.0044    0.0000   -0.0119    0.0111    0.0000    0.0000
            Z     0.0000   -0.0011    0.0000    0.0000    0.0157    0.0117
 AT.  19 SI X     0.0000    0.0007    0.0000    0.0000   -0.0041    0.0007
            Y    -0.0044    0.0000    0.0119   -0.0111    0.0000    0.0000
            Z     0.0000    0.0011    0.0000    0.0000    0.0157    0.0117
 AT.  20 SI X     0.0000    0.0007    0.0000    0.0000    0.0041    0.0007
            Y     0.0044    0.0000   -0.0119   -0.0111    0.0000    0.0000
            Z     0.0000   -0.0011    0.0000    0.0000    0.0157   -0.0117
 AT.  21 CA X     0.0007    0.0006   -0.0007    0.0000   -0.0011    0.0009
            Y    -0.0011   -0.0008    0.0010    0.0030    0.0004   -0.0007
            Z     0.0022    0.0021   -0.0001   -0.0022    0.0005   -0.0025
 AT.  22 CA X    -0.0007    0.0006    0.0007    0.0000    0.0011    0.0009
            Y     0.0011   -0.0008   -0.0010    0.0030   -0.0004   -0.0007
            Z     0.0022   -0.0021   -0.0001    0.0022    0.0005    0.0025
 AT.  23 CA X     0.0007    0.0006   -0.0007    0.0000    0.0011    0.0009
            Y     0.0011    0.0008   -0.0010    0.0030    0.0004    0.0007
            Z    -0.0022   -0.0021    0.0001   -0.0022    0.0005    0.0025
 AT.  24 CA X    -0.0007    0.0006    0.0007    0.0000   -0.0011    0.0009
            Y    -0.0011    0.0008    0.0010    0.0030   -0.0004    0.0007
            Z    -0.0022    0.0021    0.0001    0.0022    0.0005   -0.0025
 AT.  25 CA X     0.0007    0.0006   -0.0007    0.0000   -0.0011   -0.0009
            Y    -0.0011   -0.0008    0.0010   -0.0030    0.0004    0.0007
            Z     0.0022    0.0021   -0.0001    0.0022    0.0005    0.0025
 AT.  26 CA X    -0.0007    0.0006    0.0007    0.0000    0.0011   -0.0009
            Y     0.0011   -0.0008   -0.0010   -0.0030   -0.0004    0.0007
            Z     0.0022   -0.0021   -0.0001   -0.0022    0.0005   -0.0025
 AT.  27 CA X     0.0007    0.0006   -0.0007    0.0000    0.0011   -0.0009
            Y     0.0011    0.0008   -0.0010   -0.0030    0.0004   -0.0007
            Z    -0.0022   -0.0021    0.0001    0.0022    0.0005   -0.0025
 AT.  28 CA X    -0.0007    0.0006    0.0007    0.0000   -0.0011   -0.0009
            Y    -0.0011    0.0008    0.0010   -0.0030   -0.0004   -0.0007
            Z    -0.0022    0.0021    0.0001   -0.0022    0.0005    0.0025
 AT.  29 CA X     0.0061    0.0063    0.0022    0.0000   -0.0027    0.0000
            Y    -0.0004   -0.0001    0.0006    0.0000    0.0003    0.0000
            Z     0.0048    0.0052    0.0039    0.0000   -0.0038    0.0000
 AT.  30 CA X    -0.0061    0.0063   -0.0022    0.0000    0.0027    0.0000
            Y     0.0004   -0.0001   -0.0006    0.0000   -0.0003    0.0000
            Z     0.0048   -0.0052    0.0039    0.0000   -0.0038    0.0000
 AT.  31 CA X     0.0061    0.0063    0.0022    0.0000    0.0027    0.0000
            Y     0.0004    0.0001   -0.0006    0.0000    0.0003    0.0000
            Z    -0.0048   -0.0052   -0.0039    0.0000   -0.0038    0.0000
 AT.  32 CA X    -0.0061    0.0063   -0.0022    0.0000   -0.0027    0.0000
            Y    -0.0004    0.0001    0.0006    0.0000   -0.0003    0.0000
            Z    -0.0048    0.0052   -0.0039    0.0000   -0.0038    0.0000
 AT.  33 CA X    -0.0007   -0.0002    0.0041    0.0036    0.0012    0.0006
            Y    -0.0026   -0.0023    0.0009    0.0030    0.0008   -0.0004
            Z     0.0003   -0.0001   -0.0056   -0.0052   -0.0012   -0.0016
 AT.  34 CA X     0.0007   -0.0002   -0.0041    0.0036   -0.0012    0.0006
            Y     0.0026   -0.0023   -0.0009    0.0030   -0.0008   -0.0004
            Z     0.0003    0.0001   -0.0056    0.0052   -0.0012    0.0016
 AT.  35 CA X    -0.0007   -0.0002    0.0041   -0.0036   -0.0012    0.0006
            Y     0.0026    0.0023   -0.0009    0.0030    0.0008    0.0004
            Z    -0.0003    0.0001    0.0056   -0.0052   -0.0012    0.0016
 AT.  36 CA X     0.0007   -0.0002   -0.0041   -0.0036    0.0012    0.0006
            Y    -0.0026    0.0023    0.0009    0.0030   -0.0008    0.0004
            Z    -0.0003   -0.0001    0.0056    0.0052   -0.0012   -0.0016
 AT.  37 CA X    -0.0007   -0.0002    0.0041   -0.0036    0.0012   -0.0006
            Y    -0.0026   -0.0023    0.0009   -0.0030    0.0008    0.0004
            Z     0.0003   -0.0001   -0.0056    0.0052   -0.0012    0.0016
 AT.  38 CA X     0.0007   -0.0002   -0.0041   -0.0036   -0.0012   -0.0006
            Y     0.0026   -0.0023   -0.0009   -0.0030   -0.0008    0.0004
            Z     0.0003    0.0001   -0.0056   -0.0052   -0.0012   -0.0016
 AT.  39 CA X    -0.0007   -0.0002    0.0041    0.0036   -0.0012   -0.0006
            Y     0.0026    0.0023   -0.0009   -0.0030    0.0008   -0.0004
            Z    -0.0003    0.0001    0.0056    0.0052   -0.0012   -0.0016
 AT.  40 CA X     0.0007   -0.0002   -0.0041    0.0036    0.0012   -0.0006
            Y    -0.0026    0.0023    0.0009   -0.0030   -0.0008   -0.0004
            Z    -0.0003   -0.0001    0.0056   -0.0052   -0.0012    0.0016
 AT.  41 CA X    -0.0017   -0.0030    0.0011    0.0019    0.0003   -0.0015
            Y    -0.0015   -0.0023    0.0021    0.0024    0.0025   -0.0027
            Z    -0.0020   -0.0002   -0.0006    0.0002   -0.0025   -0.0002
 AT.  42 CA X     0.0017   -0.0030   -0.0011    0.0019   -0.0003   -0.0015
            Y     0.0015   -0.0023   -0.0021    0.0024   -0.0025   -0.0027
            Z    -0.0020    0.0002   -0.0006   -0.0002   -0.0025    0.0002
 AT.  43 CA X    -0.0017   -0.0030    0.0011   -0.0019   -0.0003   -0.0015
            Y     0.0015    0.0023   -0.0021    0.0024    0.0025    0.0027
            Z     0.0020    0.0002    0.0006    0.0002   -0.0025    0.0002
 AT.  44 CA X     0.0017   -0.0030   -0.0011   -0.0019    0.0003   -0.0015
            Y    -0.0015    0.0023    0.0021    0.0024   -0.0025    0.0027
            Z     0.0020   -0.0002    0.0006   -0.0002   -0.0025   -0.0002
 AT.  45 CA X    -0.0017   -0.0030    0.0011   -0.0019    0.0003    0.0015
            Y    -0.0015   -0.0023    0.0021   -0.0024    0.0025    0.0027
            Z    -0.0020   -0.0002   -0.0006   -0.0002   -0.0025    0.0002
 AT.  46 CA X     0.0017   -0.0030   -0.0011   -0.0019   -0.0003    0.0015
            Y     0.0015   -0.0023   -0.0021   -0.0024   -0.0025    0.0027
            Z    -0.0020    0.0002   -0.0006    0.0002   -0.0025   -0.0002
 AT.  47 CA X    -0.0017   -0.0030    0.0011    0.0019   -0.0003    0.0015
            Y     0.0015    0.0023   -0.0021   -0.0024    0.0025   -0.0027
            Z     0.0020    0.0002    0.0006   -0.0002   -0.0025   -0.0002
 AT.  48 CA X     0.0017   -0.0030   -0.0011    0.0019    0.0003    0.0015
            Y    -0.0015    0.0023    0.0021   -0.0024   -0.0025   -0.0027
            Z     0.0020   -0.0002    0.0006    0.0002   -0.0025    0.0002
 AT.  49 CA X     0.0000   -0.0006    0.0000    0.0000    0.0016   -0.0011
            Y    -0.0030    0.0000    0.0056    0.0055    0.0000    0.0000
            Z     0.0000   -0.0007    0.0000    0.0000    0.0051   -0.0035
 AT.  50 CA X     0.0000   -0.0006    0.0000    0.0000   -0.0016   -0.0011
            Y     0.0030    0.0000   -0.0056    0.0055    0.0000    0.0000
            Z     0.0000    0.0007    0.0000    0.0000    0.0051    0.0035
 AT.  51 CA X     0.0000   -0.0006    0.0000    0.0000    0.0016    0.0011
            Y    -0.0030    0.0000    0.0056   -0.0055    0.0000    0.0000
            Z     0.0000   -0.0007    0.0000    0.0000    0.0051    0.0035
 AT.  52 CA X     0.0000   -0.0006    0.0000    0.0000   -0.0016    0.0011
            Y     0.0030    0.0000   -0.0056   -0.0055    0.0000    0.0000
            Z     0.0000    0.0007    0.0000    0.0000    0.0051   -0.0035
 AT.  53 O  X    -0.0239   -0.0235   -0.0067    0.0096    0.0140   -0.0174
            Y     0.0071    0.0071    0.0013   -0.0014   -0.0042    0.0042
            Z    -0.0116   -0.0116    0.0028    0.0065   -0.0007   -0.0077
 AT.  54 O  X     0.0239   -0.0235    0.0067    0.0096   -0.0140   -0.0174
            Y    -0.0071    0.0071   -0.0013   -0.0014    0.0042    0.0042
            Z    -0.0116    0.0116    0.0028   -0.0065   -0.0007    0.0077
 AT.  55 O  X    -0.0239   -0.0235   -0.0067   -0.0096   -0.0140   -0.0174
            Y    -0.0071   -0.0071   -0.0013   -0.0014   -0.0042   -0.0042
            Z     0.0116    0.0116   -0.0028    0.0065   -0.0007    0.0077
 AT.  56 O  X     0.0239   -0.0235    0.0067   -0.0096    0.0140   -0.0174
            Y     0.0071   -0.0071    0.0013   -0.0014    0.0042   -0.0042
            Z     0.0116   -0.0116   -0.0028   -0.0065   -0.0007   -0.0077
 AT.  57 O  X    -0.0239   -0.0235   -0.0067   -0.0096    0.0140    0.0174
            Y     0.0071    0.0071    0.0013    0.0014   -0.0042   -0.0042
            Z    -0.0116   -0.0116    0.0028   -0.0065   -0.0007    0.0077
 AT.  58 O  X     0.0239   -0.0235    0.0067   -0.0096   -0.0140    0.0174
            Y    -0.0071    0.0071   -0.0013    0.0014    0.0042   -0.0042
            Z    -0.0116    0.0116    0.0028    0.0065   -0.0007   -0.0077
 AT.  59 O  X    -0.0239   -0.0235   -0.0067    0.0096   -0.0140    0.0174
            Y    -0.0071   -0.0071   -0.0013    0.0014   -0.0042    0.0042
            Z     0.0116    0.0116   -0.0028   -0.0065   -0.0007   -0.0077
 AT.  60 O  X     0.0239   -0.0235    0.0067    0.0096    0.0140    0.0174
            Y     0.0071   -0.0071    0.0013    0.0014    0.0042    0.0042
            Z     0.0116   -0.0116   -0.0028    0.0065   -0.0007    0.0077
 AT.  61 O  X     0.0231    0.0227   -0.0009   -0.0188   -0.0094    0.0191
            Y    -0.0023   -0.0028   -0.0060   -0.0032    0.0047    0.0007
            Z     0.0070    0.0069    0.0015   -0.0034   -0.0020    0.0058
 AT.  62 O  X    -0.0231    0.0227    0.0009   -0.0188    0.0094    0.0191
            Y     0.0023   -0.0028    0.0060   -0.0032   -0.0047    0.0007
            Z     0.0070   -0.0069    0.0015    0.0034   -0.0020   -0.0058
 AT.  63 O  X     0.0231    0.0227   -0.0009    0.0188    0.0094    0.0191
            Y     0.0023    0.0028    0.0060   -0.0032    0.0047   -0.0007
            Z    -0.0070   -0.0069   -0.0015   -0.0034   -0.0020   -0.0058
 AT.  64 O  X    -0.0231    0.0227    0.0009    0.0188   -0.0094    0.0191
            Y    -0.0023    0.0028   -0.0060   -0.0032   -0.0047   -0.0007
            Z    -0.0070    0.0069   -0.0015    0.0034   -0.0020    0.0058
 AT.  65 O  X     0.0231    0.0227   -0.0009    0.0188   -0.0094   -0.0191
            Y    -0.0023   -0.0028   -0.0060    0.0032    0.0047   -0.0007
            Z     0.0070    0.0069    0.0015    0.0034   -0.0020   -0.0058
 AT.  66 O  X    -0.0231    0.0227    0.0009    0.0188    0.0094   -0.0191
            Y     0.0023   -0.0028    0.0060    0.0032   -0.0047   -0.0007
            Z     0.0070   -0.0069    0.0015   -0.0034   -0.0020    0.0058
 AT.  67 O  X     0.0231    0.0227   -0.0009   -0.0188    0.0094   -0.0191
            Y     0.0023    0.0028    0.0060    0.0032    0.0047    0.0007
            Z    -0.0070   -0.0069   -0.0015    0.0034   -0.0020    0.0058
 AT.  68 O  X    -0.0231    0.0227    0.0009   -0.0188   -0.0094   -0.0191
            Y    -0.0023    0.0028   -0.0060    0.0032   -0.0047    0.0007
            Z    -0.0070    0.0069   -0.0015   -0.0034   -0.0020   -0.0058
 AT.  69 O  X    -0.0034   -0.0037    0.0046    0.0084   -0.0032   -0.0042
            Y    -0.0109   -0.0110   -0.0001    0.0040    0.0032   -0.0057
            Z    -0.0062   -0.0064   -0.0027    0.0016    0.0056    0.0000
 AT.  70 O  X     0.0034   -0.0037   -0.0046    0.0084    0.0032   -0.0042
            Y     0.0109   -0.0110    0.0001    0.0040   -0.0032   -0.0057
            Z    -0.0062    0.0064   -0.0027   -0.0016    0.0056    0.0000
 AT.  71 O  X    -0.0034   -0.0037    0.0046   -0.0084    0.0032   -0.0042
            Y     0.0109    0.0110    0.0001    0.0040    0.0032    0.0057
            Z     0.0062    0.0064    0.0027    0.0016    0.0056    0.0000
 AT.  72 O  X     0.0034   -0.0037   -0.0046   -0.0084   -0.0032   -0.0042
            Y    -0.0109    0.0110   -0.0001    0.0040   -0.0032    0.0057
            Z     0.0062   -0.0064    0.0027   -0.0016    0.0056    0.0000
 AT.  73 O  X    -0.0034   -0.0037    0.0046   -0.0084   -0.0032    0.0042
            Y    -0.0109   -0.0110   -0.0001   -0.0040    0.0032    0.0057
            Z    -0.0062   -0.0064   -0.0027   -0.0016    0.0056    0.0000
 AT.  74 O  X     0.0034   -0.0037   -0.0046   -0.0084    0.0032    0.0042
            Y     0.0109   -0.0110    0.0001   -0.0040   -0.0032    0.0057
            Z    -0.0062    0.0064   -0.0027    0.0016    0.0056    0.0000
 AT.  75 O  X    -0.0034   -0.0037    0.0046    0.0084    0.0032    0.0042
            Y     0.0109    0.0110    0.0001   -0.0040    0.0032   -0.0057
            Z     0.0062    0.0064    0.0027   -0.0016    0.0056    0.0000
 AT.  76 O  X     0.0034   -0.0037   -0.0046    0.0084   -0.0032    0.0042
            Y    -0.0109    0.0110   -0.0001   -0.0040   -0.0032   -0.0057
            Z     0.0062   -0.0064    0.0027    0.0016    0.0056    0.0000
 AT.  77 O  X    -0.0003   -0.0002   -0.0017    0.0005   -0.0005    0.0003
            Y     0.0148    0.0145    0.0034   -0.0063   -0.0088    0.0099
            Z     0.0148    0.0146   -0.0021   -0.0109   -0.0040    0.0080
 AT.  78 O  X     0.0003   -0.0002    0.0017    0.0005    0.0005    0.0003
            Y    -0.0148    0.0145   -0.0034   -0.0063    0.0088    0.0099
            Z     0.0148   -0.0146   -0.0021    0.0109   -0.0040   -0.0080
 AT.  79 O  X    -0.0003   -0.0002   -0.0017   -0.0005    0.0005    0.0003
            Y    -0.0148   -0.0145   -0.0034   -0.0063   -0.0088   -0.0099
            Z    -0.0148   -0.0146    0.0021   -0.0109   -0.0040   -0.0080
 AT.  80 O  X     0.0003   -0.0002    0.0017   -0.0005   -0.0005    0.0003
            Y     0.0148   -0.0145    0.0034   -0.0063    0.0088   -0.0099
            Z    -0.0148    0.0146    0.0021    0.0109   -0.0040    0.0080
 AT.  81 O  X    -0.0003   -0.0002   -0.0017   -0.0005   -0.0005   -0.0003
            Y     0.0148    0.0145    0.0034    0.0063   -0.0088   -0.0099
            Z     0.0148    0.0146   -0.0021    0.0109   -0.0040   -0.0080
 AT.  82 O  X     0.0003   -0.0002    0.0017   -0.0005    0.0005   -0.0003
            Y    -0.0148    0.0145   -0.0034    0.0063    0.0088   -0.0099
            Z     0.0148   -0.0146   -0.0021   -0.0109   -0.0040    0.0080
 AT.  83 O  X    -0.0003   -0.0002   -0.0017    0.0005    0.0005   -0.0003
            Y    -0.0148   -0.0145   -0.0034    0.0063   -0.0088    0.0099
            Z    -0.0148   -0.0146    0.0021    0.0109   -0.0040    0.0080
 AT.  84 O  X     0.0003   -0.0002    0.0017    0.0005   -0.0005   -0.0003
            Y     0.0148   -0.0145    0.0034    0.0063    0.0088    0.0099
            Z    -0.0148    0.0146    0.0021   -0.0109   -0.0040   -0.0080
 AT.  85 O  X     0.0038    0.0038    0.0097    0.0037    0.0088   -0.0021
            Y     0.0006   -0.0022   -0.0096   -0.0070    0.0133   -0.0109
            Z     0.0028    0.0048    0.0071    0.0034   -0.0122    0.0139
 AT.  86 O  X    -0.0038    0.0038   -0.0097    0.0037   -0.0088   -0.0021
            Y    -0.0006   -0.0022    0.0096   -0.0070   -0.0133   -0.0109
            Z     0.0028   -0.0048    0.0071   -0.0034   -0.0122   -0.0139
 AT.  87 O  X     0.0038    0.0038    0.0097   -0.0037   -0.0088   -0.0021
            Y    -0.0006    0.0022    0.0096   -0.0070    0.0133    0.0109
            Z    -0.0028   -0.0048   -0.0071    0.0034   -0.0122   -0.0139
 AT.  88 O  X    -0.0038    0.0038   -0.0097   -0.0037    0.0088   -0.0021
            Y     0.0006    0.0022   -0.0096   -0.0070   -0.0133    0.0109
            Z    -0.0028    0.0048   -0.0071   -0.0034   -0.0122    0.0139
 AT.  89 O  X     0.0038    0.0038    0.0097   -0.0037    0.0088    0.0021
            Y     0.0006   -0.0022   -0.0096    0.0070    0.0133    0.0109
            Z     0.0028    0.0048    0.0071   -0.0034   -0.0122   -0.0139
 AT.  90 O  X    -0.0038    0.0038   -0.0097   -0.0037   -0.0088    0.0021
            Y    -0.0006   -0.0022    0.0096    0.0070   -0.0133    0.0109
            Z     0.0028   -0.0048    0.0071    0.0034   -0.0122    0.0139
 AT.  91 O  X     0.0038    0.0038    0.0097    0.0037   -0.0088    0.0021
            Y    -0.0006    0.0022    0.0096    0.0070    0.0133   -0.0109
            Z    -0.0028   -0.0048   -0.0071   -0.0034   -0.0122    0.0139
 AT.  92 O  X    -0.0038    0.0038   -0.0097    0.0037    0.0088    0.0021
            Y     0.0006    0.0022   -0.0096    0.0070   -0.0133   -0.0109
            Z    -0.0028    0.0048   -0.0071    0.0034   -0.0122   -0.0139
 AT.  93 O  X     0.0008   -0.0028   -0.0181   -0.0141    0.0036   -0.0109
            Y     0.0010    0.0020   -0.0001   -0.0012   -0.0114    0.0105
            Z    -0.0062   -0.0042    0.0133    0.0133   -0.0009   -0.0006
 AT.  94 O  X    -0.0008   -0.0028    0.0181   -0.0141   -0.0036   -0.0109
            Y    -0.0010    0.0020    0.0001   -0.0012    0.0114    0.0105
            Z    -0.0062    0.0042    0.0133   -0.0133   -0.0009    0.0006
 AT.  95 O  X     0.0008   -0.0028   -0.0181    0.0141   -0.0036   -0.0109
            Y    -0.0010   -0.0020    0.0001   -0.0012   -0.0114   -0.0105
            Z     0.0062    0.0042   -0.0133    0.0133   -0.0009    0.0006
 AT.  96 O  X    -0.0008   -0.0028    0.0181    0.0141    0.0036   -0.0109
            Y     0.0010   -0.0020   -0.0001   -0.0012    0.0114   -0.0105
            Z     0.0062   -0.0042   -0.0133   -0.0133   -0.0009   -0.0006
 AT.  97 O  X     0.0008   -0.0028   -0.0181    0.0141    0.0036    0.0109
            Y     0.0010    0.0020   -0.0001    0.0012   -0.0114   -0.0105
            Z    -0.0062   -0.0042    0.0133   -0.0133   -0.0009    0.0006
 AT.  98 O  X    -0.0008   -0.0028    0.0181    0.0141   -0.0036    0.0109
            Y    -0.0010    0.0020    0.0001    0.0012    0.0114   -0.0105
            Z    -0.0062    0.0042    0.0133    0.0133   -0.0009   -0.0006
 AT.  99 O  X     0.0008   -0.0028   -0.0181   -0.0141   -0.0036    0.0109
            Y    -0.0010   -0.0020    0.0001    0.0012   -0.0114    0.0105
            Z     0.0062    0.0042   -0.0133   -0.0133   -0.0009   -0.0006
 AT. 100 O  X    -0.0008   -0.0028    0.0181   -0.0141    0.0036    0.0109
            Y     0.0010   -0.0020   -0.0001    0.0012    0.0114    0.0105
            Z     0.0062   -0.0042   -0.0133    0.0133   -0.0009    0.0006
 AT. 101 O  X    -0.0035    0.0004    0.0092    0.0100   -0.0128    0.0104
            Y    -0.0005   -0.0026   -0.0136   -0.0101   -0.0050   -0.0026
            Z     0.0002   -0.0031   -0.0112   -0.0072    0.0028   -0.0035
 AT. 102 O  X     0.0035    0.0004   -0.0092    0.0100    0.0128    0.0104
            Y     0.0005   -0.0026    0.0136   -0.0101    0.0050   -0.0026
            Z     0.0002    0.0031   -0.0112    0.0072    0.0028    0.0035
 AT. 103 O  X    -0.0035    0.0004    0.0092   -0.0100    0.0128    0.0104
            Y     0.0005    0.0026    0.0136   -0.0101   -0.0050    0.0026
            Z    -0.0002    0.0031    0.0112   -0.0072    0.0028    0.0035
 AT. 104 O  X     0.0035    0.0004   -0.0092   -0.0100   -0.0128    0.0104
            Y    -0.0005    0.0026   -0.0136   -0.0101    0.0050    0.0026
            Z    -0.0002   -0.0031    0.0112    0.0072    0.0028   -0.0035
 AT. 105 O  X    -0.0035    0.0004    0.0092   -0.0100   -0.0128   -0.0104
            Y    -0.0005   -0.0026   -0.0136    0.0101   -0.0050    0.0026
            Z     0.0002   -0.0031   -0.0112    0.0072    0.0028    0.0035
 AT. 106 O  X     0.0035    0.0004   -0.0092   -0.0100    0.0128   -0.0104
            Y     0.0005   -0.0026    0.0136    0.0101    0.0050    0.0026
            Z     0.0002    0.0031   -0.0112   -0.0072    0.0028   -0.0035
 AT. 107 O  X    -0.0035    0.0004    0.0092    0.0100    0.0128   -0.0104
            Y     0.0005    0.0026    0.0136    0.0101   -0.0050   -0.0026
            Z    -0.0002    0.0031    0.0112    0.0072    0.0028   -0.0035
 AT. 108 O  X     0.0035    0.0004   -0.0092    0.0100   -0.0128   -0.0104
            Y    -0.0005    0.0026   -0.0136    0.0101    0.0050   -0.0026
            Z    -0.0002   -0.0031    0.0112   -0.0072    0.0028    0.0035
 AT. 109 O  X    -0.0009   -0.0009   -0.0018   -0.0006   -0.0032    0.0022
            Y     0.0006    0.0024    0.0152    0.0114    0.0095   -0.0016
            Z     0.0004    0.0000    0.0023    0.0002    0.0091   -0.0083
 AT. 110 O  X     0.0009   -0.0009    0.0018   -0.0006    0.0032    0.0022
            Y    -0.0006    0.0024   -0.0152    0.0114   -0.0095   -0.0016
            Z     0.0004    0.0000    0.0023   -0.0002    0.0091    0.0083
 AT. 111 O  X    -0.0009   -0.0009   -0.0018    0.0006    0.0032    0.0022
            Y    -0.0006   -0.0024   -0.0152    0.0114    0.0095    0.0016
            Z    -0.0004    0.0000   -0.0023    0.0002    0.0091    0.0083
 AT. 112 O  X     0.0009   -0.0009    0.0018    0.0006   -0.0032    0.0022
            Y     0.0006   -0.0024    0.0152    0.0114   -0.0095    0.0016
            Z    -0.0004    0.0000   -0.0023   -0.0002    0.0091   -0.0083
 AT. 113 O  X    -0.0009   -0.0009   -0.0018    0.0006   -0.0032   -0.0022
            Y     0.0006    0.0024    0.0152   -0.0114    0.0095    0.0016
            Z     0.0004    0.0000    0.0023   -0.0002    0.0091    0.0083
 AT. 114 O  X     0.0009   -0.0009    0.0018    0.0006    0.0032   -0.0022
            Y    -0.0006    0.0024   -0.0152   -0.0114   -0.0095    0.0016
            Z     0.0004    0.0000    0.0023    0.0002    0.0091   -0.0083
 AT. 115 O  X    -0.0009   -0.0009   -0.0018   -0.0006    0.0032   -0.0022
            Y    -0.0006   -0.0024   -0.0152   -0.0114    0.0095   -0.0016
            Z    -0.0004    0.0000   -0.0023   -0.0002    0.0091   -0.0083
 AT. 116 O  X     0.0009   -0.0009    0.0018   -0.0006   -0.0032   -0.0022
            Y     0.0006   -0.0024    0.0152   -0.0114   -0.0095   -0.0016
            Z    -0.0004    0.0000   -0.0023    0.0002    0.0091    0.0083
 AT. 117 O  X    -0.0004    0.0039   -0.0017   -0.0015    0.0143   -0.0089
            Y    -0.0016   -0.0050    0.0171    0.0140    0.0054   -0.0058
            Z    -0.0020    0.0017   -0.0027   -0.0005   -0.0059    0.0012
 AT. 118 O  X     0.0004    0.0039    0.0017   -0.0015   -0.0143   -0.0089
            Y     0.0016   -0.0050   -0.0171    0.0140   -0.0054   -0.0058
            Z    -0.0020   -0.0017   -0.0027    0.0005   -0.0059   -0.0012
 AT. 119 O  X    -0.0004    0.0039   -0.0017    0.0015   -0.0143   -0.0089
            Y     0.0016    0.0050   -0.0171    0.0140    0.0054    0.0058
            Z     0.0020   -0.0017    0.0027   -0.0005   -0.0059   -0.0012
 AT. 120 O  X     0.0004    0.0039    0.0017    0.0015    0.0143   -0.0089
            Y    -0.0016    0.0050    0.0171    0.0140   -0.0054    0.0058
            Z     0.0020    0.0017    0.0027    0.0005   -0.0059    0.0012
 AT. 121 O  X    -0.0004    0.0039   -0.0017    0.0015    0.0143    0.0089
            Y    -0.0016   -0.0050    0.0171   -0.0140    0.0054    0.0058
            Z    -0.0020    0.0017   -0.0027    0.0005   -0.0059   -0.0012
 AT. 122 O  X     0.0004    0.0039    0.0017    0.0015   -0.0143    0.0089
            Y     0.0016   -0.0050   -0.0171   -0.0140   -0.0054    0.0058
            Z    -0.0020   -0.0017   -0.0027   -0.0005   -0.0059    0.0012
 AT. 123 O  X    -0.0004    0.0039   -0.0017   -0.0015   -0.0143    0.0089
            Y     0.0016    0.0050   -0.0171   -0.0140    0.0054   -0.0058
            Z     0.0020   -0.0017    0.0027    0.0005   -0.0059    0.0012
 AT. 124 O  X     0.0004    0.0039    0.0017   -0.0015    0.0143    0.0089
            Y    -0.0016    0.0050    0.0171   -0.0140   -0.0054   -0.0058
            Z     0.0020    0.0017    0.0027   -0.0005   -0.0059   -0.0012

 FREQ(CM**-1)    432.38    434.56    435.26    437.11    437.19    439.04

 AT.   1 SI X     0.0015   -0.0015    0.0003    0.0008   -0.0003    0.0012
            Y    -0.0008   -0.0021    0.0022   -0.0018    0.0017   -0.0012
            Z    -0.0048    0.0021   -0.0016    0.0014   -0.0026    0.0001
 AT.   2 SI X     0.0015    0.0015    0.0003   -0.0008    0.0003    0.0012
            Y    -0.0008    0.0021    0.0022    0.0018   -0.0017   -0.0012
            Z     0.0048    0.0021    0.0016    0.0014   -0.0026   -0.0001
 AT.   3 SI X     0.0015    0.0015    0.0003   -0.0008   -0.0003   -0.0012
            Y     0.0008   -0.0021   -0.0022   -0.0018   -0.0017   -0.0012
            Z     0.0048    0.0021    0.0016    0.0014    0.0026    0.0001
 AT.   4 SI X     0.0015   -0.0015    0.0003    0.0008    0.0003   -0.0012
            Y     0.0008    0.0021   -0.0022    0.0018    0.0017   -0.0012
            Z    -0.0048    0.0021   -0.0016    0.0014    0.0026   -0.0001
 AT.   5 SI X     0.0015    0.0015   -0.0003    0.0008    0.0003    0.0012
            Y    -0.0008    0.0021   -0.0022   -0.0018   -0.0017   -0.0012
            Z    -0.0048   -0.0021    0.0016    0.0014    0.0026    0.0001
 AT.   6 SI X     0.0015   -0.0015   -0.0003   -0.0008   -0.0003    0.0012
            Y    -0.0008   -0.0021   -0.0022    0.0018    0.0017   -0.0012
            Z     0.0048   -0.0021   -0.0016    0.0014    0.0026   -0.0001
 AT.   7 SI X     0.0015   -0.0015   -0.0003   -0.0008    0.0003   -0.0012
            Y     0.0008    0.0021    0.0022   -0.0018    0.0017   -0.0012
            Z     0.0048   -0.0021   -0.0016    0.0014   -0.0026    0.0001
 AT.   8 SI X     0.0015    0.0015   -0.0003    0.0008   -0.0003   -0.0012
            Y     0.0008   -0.0021    0.0022    0.0018   -0.0017   -0.0012
            Z    -0.0048   -0.0021    0.0016    0.0014   -0.0026   -0.0001
 AT.   9 SI X     0.0021   -0.0028    0.0013    0.0005   -0.0003    0.0006
            Y     0.0097   -0.0083    0.0096   -0.0060    0.0060   -0.0049
            Z     0.0013   -0.0024    0.0011    0.0032   -0.0032    0.0029
 AT.  10 SI X     0.0021    0.0028    0.0013   -0.0005    0.0003    0.0006
            Y     0.0097    0.0083    0.0096    0.0060   -0.0060   -0.0049
            Z    -0.0013   -0.0024   -0.0011    0.0032   -0.0032   -0.0029
 AT.  11 SI X     0.0021    0.0028    0.0013   -0.0005   -0.0003   -0.0006
            Y    -0.0097   -0.0083   -0.0096   -0.0060   -0.0060   -0.0049
            Z    -0.0013   -0.0024   -0.0011    0.0032    0.0032    0.0029
 AT.  12 SI X     0.0021   -0.0028    0.0013    0.0005    0.0003   -0.0006
            Y    -0.0097    0.0083   -0.0096    0.0060    0.0060   -0.0049
            Z     0.0013   -0.0024    0.0011    0.0032    0.0032   -0.0029
 AT.  13 SI X     0.0021    0.0028   -0.0013    0.0005    0.0003    0.0006
            Y     0.0097    0.0083   -0.0096   -0.0060   -0.0060   -0.0049
            Z     0.0013    0.0024   -0.0011    0.0032    0.0032    0.0029
 AT.  14 SI X     0.0021   -0.0028   -0.0013   -0.0005   -0.0003    0.0006
            Y     0.0097   -0.0083   -0.0096    0.0060    0.0060   -0.0049
            Z    -0.0013    0.0024    0.0011    0.0032    0.0032   -0.0029
 AT.  15 SI X     0.0021   -0.0028   -0.0013   -0.0005    0.0003   -0.0006
            Y    -0.0097    0.0083    0.0096   -0.0060    0.0060   -0.0049
            Z    -0.0013    0.0024    0.0011    0.0032   -0.0032    0.0029
 AT.  16 SI X     0.0021    0.0028   -0.0013    0.0005   -0.0003   -0.0006
            Y    -0.0097   -0.0083    0.0096    0.0060   -0.0060   -0.0049
            Z     0.0013    0.0024   -0.0011    0.0032   -0.0032   -0.0029
 AT.  17 SI X     0.0044   -0.0030    0.0064   -0.0066    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0017    0.0011
            Z    -0.0196    0.0201   -0.0107    0.0056    0.0000    0.0000
 AT.  18 SI X     0.0044    0.0030    0.0064    0.0066    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000    0.0017    0.0011
            Z     0.0196    0.0201    0.0107    0.0056    0.0000    0.0000
 AT.  19 SI X     0.0044    0.0030   -0.0064   -0.0066    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000    0.0017    0.0011
            Z    -0.0196   -0.0201    0.0107    0.0056    0.0000    0.0000
 AT.  20 SI X     0.0044   -0.0030   -0.0064    0.0066    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0017    0.0011
            Z     0.0196   -0.0201   -0.0107    0.0056    0.0000    0.0000
 AT.  21 CA X     0.0004   -0.0009    0.0000    0.0010   -0.0005    0.0012
            Y     0.0011   -0.0024    0.0001    0.0001    0.0004    0.0002
            Z     0.0007    0.0019   -0.0006   -0.0008    0.0009   -0.0009
 AT.  22 CA X     0.0004    0.0009    0.0000   -0.0010    0.0005    0.0012
            Y     0.0011    0.0024    0.0001   -0.0001   -0.0004    0.0002
            Z    -0.0007    0.0019    0.0006   -0.0008    0.0009    0.0009
 AT.  23 CA X     0.0004    0.0009    0.0000   -0.0010   -0.0005   -0.0012
            Y    -0.0011   -0.0024   -0.0001    0.0001   -0.0004    0.0002
            Z    -0.0007    0.0019    0.0006   -0.0008   -0.0009   -0.0009
 AT.  24 CA X     0.0004   -0.0009    0.0000    0.0010    0.0005   -0.0012
            Y    -0.0011    0.0024   -0.0001   -0.0001    0.0004    0.0002
            Z     0.0007    0.0019   -0.0006   -0.0008   -0.0009    0.0009
 AT.  25 CA X     0.0004    0.0009    0.0000    0.0010    0.0005    0.0012
            Y     0.0011    0.0024   -0.0001    0.0001   -0.0004    0.0002
            Z     0.0007   -0.0019    0.0006   -0.0008   -0.0009   -0.0009
 AT.  26 CA X     0.0004   -0.0009    0.0000   -0.0010   -0.0005    0.0012
            Y     0.0011   -0.0024   -0.0001   -0.0001    0.0004    0.0002
            Z    -0.0007   -0.0019   -0.0006   -0.0008   -0.0009    0.0009
 AT.  27 CA X     0.0004   -0.0009    0.0000   -0.0010    0.0005   -0.0012
            Y    -0.0011    0.0024    0.0001    0.0001    0.0004    0.0002
            Z    -0.0007   -0.0019   -0.0006   -0.0008    0.0009   -0.0009
 AT.  28 CA X     0.0004    0.0009    0.0000    0.0010   -0.0005   -0.0012
            Y    -0.0011   -0.0024    0.0001   -0.0001   -0.0004    0.0002
            Z     0.0007   -0.0019    0.0006   -0.0008    0.0009    0.0009
 AT.  29 CA X     0.0002    0.0000    0.0000    0.0036    0.0000    0.0036
            Y     0.0022    0.0000    0.0000   -0.0019    0.0000   -0.0017
            Z     0.0009    0.0000    0.0000    0.0052    0.0000    0.0052
 AT.  30 CA X     0.0002    0.0000    0.0000   -0.0036    0.0000    0.0036
            Y     0.0022    0.0000    0.0000    0.0019    0.0000   -0.0017
            Z    -0.0009    0.0000    0.0000    0.0052    0.0000   -0.0052
 AT.  31 CA X     0.0002    0.0000    0.0000   -0.0036    0.0000   -0.0036
            Y    -0.0022    0.0000    0.0000   -0.0019    0.0000   -0.0017
            Z    -0.0009    0.0000    0.0000    0.0052    0.0000    0.0052
 AT.  32 CA X     0.0002    0.0000    0.0000    0.0036    0.0000   -0.0036
            Y    -0.0022    0.0000    0.0000    0.0019    0.0000   -0.0017
            Z     0.0009    0.0000    0.0000    0.0052    0.0000   -0.0052
 AT.  33 CA X    -0.0021    0.0012   -0.0024    0.0027   -0.0028    0.0026
            Y     0.0005   -0.0019    0.0009   -0.0009    0.0008   -0.0011
            Z     0.0016   -0.0007    0.0035   -0.0043    0.0041   -0.0041
 AT.  34 CA X    -0.0021   -0.0012   -0.0024   -0.0027    0.0028    0.0026
            Y     0.0005    0.0019    0.0009    0.0009   -0.0008   -0.0011
            Z    -0.0016   -0.0007   -0.0035   -0.0043    0.0041    0.0041
 AT.  35 CA X    -0.0021   -0.0012   -0.0024   -0.0027   -0.0028   -0.0026
            Y    -0.0005   -0.0019   -0.0009   -0.0009   -0.0008   -0.0011
            Z    -0.0016   -0.0007   -0.0035   -0.0043   -0.0041   -0.0041
 AT.  36 CA X    -0.0021    0.0012   -0.0024    0.0027    0.0028   -0.0026
            Y    -0.0005    0.0019   -0.0009    0.0009    0.0008   -0.0011
            Z     0.0016   -0.0007    0.0035   -0.0043   -0.0041    0.0041
 AT.  37 CA X    -0.0021   -0.0012    0.0024    0.0027    0.0028    0.0026
            Y     0.0005    0.0019   -0.0009   -0.0009   -0.0008   -0.0011
            Z     0.0016    0.0007   -0.0035   -0.0043   -0.0041   -0.0041
 AT.  38 CA X    -0.0021    0.0012    0.0024   -0.0027   -0.0028    0.0026
            Y     0.0005   -0.0019   -0.0009    0.0009    0.0008   -0.0011
            Z    -0.0016    0.0007    0.0035   -0.0043   -0.0041    0.0041
 AT.  39 CA X    -0.0021    0.0012    0.0024   -0.0027    0.0028   -0.0026
            Y    -0.0005    0.0019    0.0009   -0.0009    0.0008   -0.0011
            Z    -0.0016    0.0007    0.0035   -0.0043    0.0041   -0.0041
 AT.  40 CA X    -0.0021   -0.0012    0.0024    0.0027   -0.0028   -0.0026
            Y    -0.0005   -0.0019    0.0009    0.0009   -0.0008   -0.0011
            Z     0.0016    0.0007   -0.0035   -0.0043    0.0041    0.0041
 AT.  41 CA X     0.0005   -0.0011    0.0014   -0.0009    0.0014   -0.0006
            Y    -0.0032    0.0031   -0.0018    0.0009    0.0002    0.0002
            Z    -0.0023    0.0033    0.0026   -0.0020    0.0023   -0.0013
 AT.  42 CA X     0.0005    0.0011    0.0014    0.0009   -0.0014   -0.0006
            Y    -0.0032   -0.0031   -0.0018   -0.0009   -0.0002    0.0002
            Z     0.0023    0.0033   -0.0026   -0.0020    0.0023    0.0013
 AT.  43 CA X     0.0005    0.0011    0.0014    0.0009    0.0014    0.0006
            Y     0.0032    0.0031    0.0018    0.0009   -0.0002    0.0002
            Z     0.0023    0.0033   -0.0026   -0.0020   -0.0023   -0.0013
 AT.  44 CA X     0.0005   -0.0011    0.0014   -0.0009   -0.0014    0.0006
            Y     0.0032   -0.0031    0.0018   -0.0009    0.0002    0.0002
            Z    -0.0023    0.0033    0.0026   -0.0020   -0.0023    0.0013
 AT.  45 CA X     0.0005    0.0011   -0.0014   -0.0009   -0.0014   -0.0006
            Y    -0.0032   -0.0031    0.0018    0.0009   -0.0002    0.0002
            Z    -0.0023   -0.0033   -0.0026   -0.0020   -0.0023   -0.0013
 AT.  46 CA X     0.0005   -0.0011   -0.0014    0.0009    0.0014   -0.0006
            Y    -0.0032    0.0031    0.0018   -0.0009    0.0002    0.0002
            Z     0.0023   -0.0033    0.0026   -0.0020   -0.0023    0.0013
 AT.  47 CA X     0.0005   -0.0011   -0.0014    0.0009   -0.0014    0.0006
            Y     0.0032   -0.0031   -0.0018    0.0009    0.0002    0.0002
            Z     0.0023   -0.0033    0.0026   -0.0020    0.0023   -0.0013
 AT.  48 CA X     0.0005    0.0011   -0.0014   -0.0009    0.0014    0.0006
            Y     0.0032    0.0031   -0.0018   -0.0009   -0.0002    0.0002
            Z    -0.0023   -0.0033   -0.0026   -0.0020    0.0023    0.0013
 AT.  49 CA X    -0.0007    0.0008   -0.0013    0.0007    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000    0.0029   -0.0026
            Z    -0.0023    0.0022   -0.0058    0.0033    0.0000    0.0000
 AT.  50 CA X    -0.0007   -0.0008   -0.0013   -0.0007    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0029   -0.0026
            Z     0.0023    0.0022    0.0058    0.0033    0.0000    0.0000
 AT.  51 CA X    -0.0007   -0.0008    0.0013    0.0007    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0029   -0.0026
            Z    -0.0023   -0.0022    0.0058    0.0033    0.0000    0.0000
 AT.  52 CA X    -0.0007    0.0008    0.0013   -0.0007    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000    0.0029   -0.0026
            Z     0.0023   -0.0022   -0.0058    0.0033    0.0000    0.0000
 AT.  53 O  X     0.0027   -0.0049    0.0137   -0.0250    0.0187   -0.0244
            Y     0.0008   -0.0030   -0.0010    0.0040   -0.0030    0.0044
            Z     0.0039   -0.0048    0.0069   -0.0043    0.0086   -0.0041
 AT.  54 O  X     0.0027    0.0049    0.0137    0.0250   -0.0187   -0.0244
            Y     0.0008    0.0030   -0.0010   -0.0040    0.0030    0.0044
            Z    -0.0039   -0.0048   -0.0069   -0.0043    0.0086    0.0041
 AT.  55 O  X     0.0027    0.0049    0.0137    0.0250    0.0187    0.0244
            Y    -0.0008   -0.0030    0.0010    0.0040    0.0030    0.0044
            Z    -0.0039   -0.0048   -0.0069   -0.0043   -0.0086   -0.0041
 AT.  56 O  X     0.0027   -0.0049    0.0137   -0.0250   -0.0187    0.0244
            Y    -0.0008    0.0030    0.0010   -0.0040   -0.0030    0.0044
            Z     0.0039   -0.0048    0.0069   -0.0043   -0.0086    0.0041
 AT.  57 O  X     0.0027    0.0049   -0.0137   -0.0250   -0.0187   -0.0244
            Y     0.0008    0.0030    0.0010    0.0040    0.0030    0.0044
            Z     0.0039    0.0048   -0.0069   -0.0043   -0.0086   -0.0041
 AT.  58 O  X     0.0027   -0.0049   -0.0137    0.0250    0.0187   -0.0244
            Y     0.0008   -0.0030    0.0010   -0.0040   -0.0030    0.0044
            Z    -0.0039    0.0048    0.0069   -0.0043   -0.0086    0.0041
 AT.  59 O  X     0.0027   -0.0049   -0.0137    0.0250   -0.0187    0.0244
            Y    -0.0008    0.0030   -0.0010    0.0040   -0.0030    0.0044
            Z    -0.0039    0.0048    0.0069   -0.0043    0.0086   -0.0041
 AT.  60 O  X     0.0027    0.0049   -0.0137   -0.0250    0.0187    0.0244
            Y    -0.0008   -0.0030   -0.0010   -0.0040    0.0030    0.0044
            Z     0.0039    0.0048   -0.0069   -0.0043    0.0086    0.0041
 AT.  61 O  X     0.0036    0.0046   -0.0120    0.0117   -0.0184    0.0137
            Y    -0.0022    0.0026   -0.0001   -0.0040   -0.0001   -0.0047
            Z    -0.0023    0.0005   -0.0045    0.0051   -0.0060    0.0048
 AT.  62 O  X     0.0036   -0.0046   -0.0120   -0.0117    0.0184    0.0137
            Y    -0.0022   -0.0026   -0.0001    0.0040    0.0001   -0.0047
            Z     0.0023    0.0005    0.0045    0.0051   -0.0060   -0.0048
 AT.  63 O  X     0.0036   -0.0046   -0.0120   -0.0117   -0.0184   -0.0137
            Y     0.0022    0.0026    0.0001   -0.0040    0.0001   -0.0047
            Z     0.0023    0.0005    0.0045    0.0051    0.0060    0.0048
 AT.  64 O  X     0.0036    0.0046   -0.0120    0.0117    0.0184   -0.0137
            Y     0.0022   -0.0026    0.0001    0.0040   -0.0001   -0.0047
            Z    -0.0023    0.0005   -0.0045    0.0051    0.0060   -0.0048
 AT.  65 O  X     0.0036   -0.0046    0.0120    0.0117    0.0184    0.0137
            Y    -0.0022   -0.0026    0.0001   -0.0040    0.0001   -0.0047
            Z    -0.0023   -0.0005    0.0045    0.0051    0.0060    0.0048
 AT.  66 O  X     0.0036    0.0046    0.0120   -0.0117   -0.0184    0.0137
            Y    -0.0022    0.0026    0.0001    0.0040   -0.0001   -0.0047
            Z     0.0023   -0.0005   -0.0045    0.0051    0.0060   -0.0048
 AT.  67 O  X     0.0036    0.0046    0.0120   -0.0117    0.0184   -0.0137
            Y     0.0022   -0.0026   -0.0001   -0.0040   -0.0001   -0.0047
            Z     0.0023   -0.0005   -0.0045    0.0051   -0.0060    0.0048
 AT.  68 O  X     0.0036   -0.0046    0.0120    0.0117   -0.0184   -0.0137
            Y     0.0022    0.0026   -0.0001    0.0040    0.0001   -0.0047
            Z    -0.0023   -0.0005    0.0045    0.0051   -0.0060   -0.0048
 AT.  69 O  X    -0.0061    0.0002    0.0012    0.0082    0.0036    0.0056
            Y     0.0012   -0.0005    0.0028   -0.0063    0.0048   -0.0062
            Z    -0.0009    0.0003   -0.0015   -0.0023   -0.0018   -0.0025
 AT.  70 O  X    -0.0061   -0.0002    0.0012   -0.0082   -0.0036    0.0056
            Y     0.0012    0.0005    0.0028    0.0063   -0.0048   -0.0062
            Z     0.0009    0.0003    0.0015   -0.0023   -0.0018    0.0025
 AT.  71 O  X    -0.0061   -0.0002    0.0012   -0.0082    0.0036   -0.0056
            Y    -0.0012   -0.0005   -0.0028   -0.0063   -0.0048   -0.0062
            Z     0.0009    0.0003    0.0015   -0.0023    0.0018   -0.0025
 AT.  72 O  X    -0.0061    0.0002    0.0012    0.0082   -0.0036   -0.0056
            Y    -0.0012    0.0005   -0.0028    0.0063    0.0048   -0.0062
            Z    -0.0009    0.0003   -0.0015   -0.0023    0.0018    0.0025
 AT.  73 O  X    -0.0061   -0.0002   -0.0012    0.0082   -0.0036    0.0056
            Y     0.0012    0.0005   -0.0028   -0.0063   -0.0048   -0.0062
            Z    -0.0009   -0.0003    0.0015   -0.0023    0.0018   -0.0025
 AT.  74 O  X    -0.0061    0.0002   -0.0012   -0.0082    0.0036    0.0056
            Y     0.0012   -0.0005   -0.0028    0.0063    0.0048   -0.0062
            Z     0.0009   -0.0003   -0.0015   -0.0023    0.0018    0.0025
 AT.  75 O  X    -0.0061    0.0002   -0.0012   -0.0082   -0.0036   -0.0056
            Y    -0.0012    0.0005    0.0028   -0.0063    0.0048   -0.0062
            Z     0.0009   -0.0003   -0.0015   -0.0023   -0.0018   -0.0025
 AT.  76 O  X    -0.0061   -0.0002   -0.0012    0.0082    0.0036   -0.0056
            Y    -0.0012   -0.0005    0.0028    0.0063   -0.0048   -0.0062
            Z    -0.0009   -0.0003    0.0015   -0.0023   -0.0018    0.0025
 AT.  77 O  X     0.0017   -0.0018    0.0007    0.0007   -0.0002    0.0012
            Y    -0.0006    0.0034   -0.0067    0.0133   -0.0097    0.0132
            Z     0.0041    0.0035   -0.0040    0.0018   -0.0065    0.0037
 AT.  78 O  X     0.0017    0.0018    0.0007   -0.0007    0.0002    0.0012
            Y    -0.0006   -0.0034   -0.0067   -0.0133    0.0097    0.0132
            Z    -0.0041    0.0035    0.0040    0.0018   -0.0065   -0.0037
 AT.  79 O  X     0.0017    0.0018    0.0007   -0.0007   -0.0002   -0.0012
            Y     0.0006    0.0034    0.0067    0.0133    0.0097    0.0132
            Z    -0.0041    0.0035    0.0040    0.0018    0.0065    0.0037
 AT.  80 O  X     0.0017   -0.0018    0.0007    0.0007    0.0002   -0.0012
            Y     0.0006   -0.0034    0.0067   -0.0133   -0.0097    0.0132
            Z     0.0041    0.0035   -0.0040    0.0018    0.0065   -0.0037
 AT.  81 O  X     0.0017    0.0018   -0.0007    0.0007    0.0002    0.0012
            Y    -0.0006   -0.0034    0.0067    0.0133    0.0097    0.0132
            Z     0.0041   -0.0035    0.0040    0.0018    0.0065    0.0037
 AT.  82 O  X     0.0017   -0.0018   -0.0007   -0.0007   -0.0002    0.0012
            Y    -0.0006    0.0034    0.0067   -0.0133   -0.0097    0.0132
            Z    -0.0041   -0.0035   -0.0040    0.0018    0.0065   -0.0037
 AT.  83 O  X     0.0017   -0.0018   -0.0007   -0.0007    0.0002   -0.0012
            Y     0.0006   -0.0034   -0.0067    0.0133   -0.0097    0.0132
            Z    -0.0041   -0.0035   -0.0040    0.0018   -0.0065    0.0037
 AT.  84 O  X     0.0017    0.0018   -0.0007    0.0007   -0.0002   -0.0012
            Y     0.0006    0.0034   -0.0067   -0.0133    0.0097    0.0132
            Z     0.0041   -0.0035    0.0040    0.0018   -0.0065   -0.0037
 AT.  85 O  X    -0.0157    0.0160   -0.0170    0.0123   -0.0123    0.0110
            Y    -0.0116    0.0123   -0.0068    0.0013    0.0029   -0.0037
            Z     0.0075   -0.0084    0.0038    0.0023   -0.0057    0.0054
 AT.  86 O  X    -0.0157   -0.0160   -0.0170   -0.0123    0.0123    0.0110
            Y    -0.0116   -0.0123   -0.0068   -0.0013   -0.0029   -0.0037
            Z    -0.0075   -0.0084   -0.0038    0.0023   -0.0057   -0.0054
 AT.  87 O  X    -0.0157   -0.0160   -0.0170   -0.0123   -0.0123   -0.0110
            Y     0.0116    0.0123    0.0068    0.0013   -0.0029   -0.0037
            Z    -0.0075   -0.0084   -0.0038    0.0023    0.0057    0.0054
 AT.  88 O  X    -0.0157    0.0160   -0.0170    0.0123    0.0123   -0.0110
            Y     0.0116   -0.0123    0.0068   -0.0013    0.0029   -0.0037
            Z     0.0075   -0.0084    0.0038    0.0023    0.0057   -0.0054
 AT.  89 O  X    -0.0157   -0.0160    0.0170    0.0123    0.0123    0.0110
            Y    -0.0116   -0.0123    0.0068    0.0013   -0.0029   -0.0037
            Z     0.0075    0.0084   -0.0038    0.0023    0.0057    0.0054
 AT.  90 O  X    -0.0157    0.0160    0.0170   -0.0123   -0.0123    0.0110
            Y    -0.0116    0.0123    0.0068   -0.0013    0.0029   -0.0037
            Z    -0.0075    0.0084    0.0038    0.0023    0.0057   -0.0054
 AT.  91 O  X    -0.0157    0.0160    0.0170   -0.0123    0.0123   -0.0110
            Y     0.0116   -0.0123   -0.0068    0.0013    0.0029   -0.0037
            Z    -0.0075    0.0084    0.0038    0.0023   -0.0057    0.0054
 AT.  92 O  X    -0.0157   -0.0160    0.0170    0.0123   -0.0123   -0.0110
            Y     0.0116    0.0123   -0.0068   -0.0013   -0.0029   -0.0037
            Z     0.0075    0.0084   -0.0038    0.0023   -0.0057   -0.0054
 AT.  93 O  X     0.0059   -0.0040    0.0091   -0.0114    0.0189   -0.0174
            Y     0.0065   -0.0068    0.0077   -0.0018   -0.0008    0.0013
            Z     0.0064   -0.0075    0.0016   -0.0021   -0.0022    0.0018
 AT.  94 O  X     0.0059    0.0040    0.0091    0.0114   -0.0189   -0.0174
            Y     0.0065    0.0068    0.0077    0.0018    0.0008    0.0013
            Z    -0.0064   -0.0075   -0.0016   -0.0021   -0.0022   -0.0018
 AT.  95 O  X     0.0059    0.0040    0.0091    0.0114    0.0189    0.0174
            Y    -0.0065   -0.0068   -0.0077   -0.0018    0.0008    0.0013
            Z    -0.0064   -0.0075   -0.0016   -0.0021    0.0022    0.0018
 AT.  96 O  X     0.0059   -0.0040    0.0091   -0.0114   -0.0189    0.0174
            Y    -0.0065    0.0068   -0.0077    0.0018   -0.0008    0.0013
            Z     0.0064   -0.0075    0.0016   -0.0021    0.0022   -0.0018
 AT.  97 O  X     0.0059    0.0040   -0.0091   -0.0114   -0.0189   -0.0174
            Y     0.0065    0.0068   -0.0077   -0.0018    0.0008    0.0013
            Z     0.0064    0.0075   -0.0016   -0.0021    0.0022    0.0018
 AT.  98 O  X     0.0059   -0.0040   -0.0091    0.0114    0.0189   -0.0174
            Y     0.0065   -0.0068   -0.0077    0.0018   -0.0008    0.0013
            Z    -0.0064    0.0075    0.0016   -0.0021    0.0022   -0.0018
 AT.  99 O  X     0.0059   -0.0040   -0.0091    0.0114   -0.0189    0.0174
            Y    -0.0065    0.0068    0.0077   -0.0018   -0.0008    0.0013
            Z    -0.0064    0.0075    0.0016   -0.0021   -0.0022    0.0018
 AT. 100 O  X     0.0059    0.0040   -0.0091   -0.0114    0.0189    0.0174
            Y    -0.0065   -0.0068    0.0077    0.0018    0.0008    0.0013
            Z     0.0064    0.0075   -0.0016   -0.0021   -0.0022   -0.0018
 AT. 101 O  X     0.0112   -0.0120    0.0100   -0.0043   -0.0053    0.0051
            Y     0.0106   -0.0091    0.0098   -0.0102    0.0087   -0.0080
            Z    -0.0002   -0.0001   -0.0006   -0.0009    0.0041   -0.0036
 AT. 102 O  X     0.0112    0.0120    0.0100    0.0043    0.0053    0.0051
            Y     0.0106    0.0091    0.0098    0.0102   -0.0087   -0.0080
            Z     0.0002   -0.0001    0.0006   -0.0009    0.0041    0.0036
 AT. 103 O  X     0.0112    0.0120    0.0100    0.0043   -0.0053   -0.0051
            Y    -0.0106   -0.0091   -0.0098   -0.0102   -0.0087   -0.0080
            Z     0.0002   -0.0001    0.0006   -0.0009   -0.0041   -0.0036
 AT. 104 O  X     0.0112   -0.0120    0.0100   -0.0043    0.0053   -0.0051
            Y    -0.0106    0.0091   -0.0098    0.0102    0.0087   -0.0080
            Z    -0.0002   -0.0001   -0.0006   -0.0009   -0.0041    0.0036
 AT. 105 O  X     0.0112    0.0120   -0.0100   -0.0043    0.0053    0.0051
            Y     0.0106    0.0091   -0.0098   -0.0102   -0.0087   -0.0080
            Z    -0.0002    0.0001    0.0006   -0.0009   -0.0041   -0.0036
 AT. 106 O  X     0.0112   -0.0120   -0.0100    0.0043   -0.0053    0.0051
            Y     0.0106   -0.0091   -0.0098    0.0102    0.0087   -0.0080
            Z     0.0002    0.0001   -0.0006   -0.0009   -0.0041    0.0036
 AT. 107 O  X     0.0112   -0.0120   -0.0100    0.0043    0.0053   -0.0051
            Y    -0.0106    0.0091    0.0098   -0.0102    0.0087   -0.0080
            Z     0.0002    0.0001   -0.0006   -0.0009    0.0041   -0.0036
 AT. 108 O  X     0.0112    0.0120   -0.0100   -0.0043   -0.0053   -0.0051
            Y    -0.0106   -0.0091    0.0098    0.0102   -0.0087   -0.0080
            Z    -0.0002    0.0001    0.0006   -0.0009    0.0041    0.0036
 AT. 109 O  X     0.0034   -0.0038    0.0027   -0.0008    0.0008   -0.0003
            Y    -0.0155    0.0144   -0.0163    0.0135   -0.0118    0.0114
            Z    -0.0086    0.0099   -0.0072    0.0016   -0.0005   -0.0001
 AT. 110 O  X     0.0034    0.0038    0.0027    0.0008   -0.0008   -0.0003
            Y    -0.0155   -0.0144   -0.0163   -0.0135    0.0118    0.0114
            Z     0.0086    0.0099    0.0072    0.0016   -0.0005    0.0001
 AT. 111 O  X     0.0034    0.0038    0.0027    0.0008    0.0008    0.0003
            Y     0.0155    0.0144    0.0163    0.0135    0.0118    0.0114
            Z     0.0086    0.0099    0.0072    0.0016    0.0005   -0.0001
 AT. 112 O  X     0.0034   -0.0038    0.0027   -0.0008   -0.0008    0.0003
            Y     0.0155   -0.0144    0.0163   -0.0135   -0.0118    0.0114
            Z    -0.0086    0.0099   -0.0072    0.0016    0.0005    0.0001
 AT. 113 O  X     0.0034    0.0038   -0.0027   -0.0008   -0.0008   -0.0003
            Y    -0.0155   -0.0144    0.0163    0.0135    0.0118    0.0114
            Z    -0.0086   -0.0099    0.0072    0.0016    0.0005   -0.0001
 AT. 114 O  X     0.0034   -0.0038   -0.0027    0.0008    0.0008   -0.0003
            Y    -0.0155    0.0144    0.0163   -0.0135   -0.0118    0.0114
            Z     0.0086   -0.0099   -0.0072    0.0016    0.0005    0.0001
 AT. 115 O  X     0.0034   -0.0038   -0.0027    0.0008   -0.0008    0.0003
            Y     0.0155   -0.0144   -0.0163    0.0135   -0.0118    0.0114
            Z     0.0086   -0.0099   -0.0072    0.0016   -0.0005   -0.0001
 AT. 116 O  X     0.0034    0.0038   -0.0027   -0.0008    0.0008    0.0003
            Y     0.0155    0.0144   -0.0163   -0.0135    0.0118    0.0114
            Z    -0.0086   -0.0099    0.0072    0.0016   -0.0005    0.0001
 AT. 117 O  X    -0.0132    0.0133   -0.0110    0.0074    0.0055   -0.0047
            Y    -0.0089    0.0091   -0.0061    0.0013   -0.0111    0.0094
            Z     0.0068   -0.0053    0.0088   -0.0071    0.0000   -0.0002
 AT. 118 O  X    -0.0132   -0.0133   -0.0110   -0.0074   -0.0055   -0.0047
            Y    -0.0089   -0.0091   -0.0061   -0.0013    0.0111    0.0094
            Z    -0.0068   -0.0053   -0.0088   -0.0071    0.0000    0.0002
 AT. 119 O  X    -0.0132   -0.0133   -0.0110   -0.0074    0.0055    0.0047
            Y     0.0089    0.0091    0.0061    0.0013    0.0111    0.0094
            Z    -0.0068   -0.0053   -0.0088   -0.0071    0.0000   -0.0002
 AT. 120 O  X    -0.0132    0.0133   -0.0110    0.0074   -0.0055    0.0047
            Y     0.0089   -0.0091    0.0061   -0.0013   -0.0111    0.0094
            Z     0.0068   -0.0053    0.0088   -0.0071    0.0000    0.0002
 AT. 121 O  X    -0.0132   -0.0133    0.0110    0.0074   -0.0055   -0.0047
            Y    -0.0089   -0.0091    0.0061    0.0013    0.0111    0.0094
            Z     0.0068    0.0053   -0.0088   -0.0071    0.0000   -0.0002
 AT. 122 O  X    -0.0132    0.0133    0.0110   -0.0074    0.0055   -0.0047
            Y    -0.0089    0.0091    0.0061   -0.0013   -0.0111    0.0094
            Z    -0.0068    0.0053    0.0088   -0.0071    0.0000    0.0002
 AT. 123 O  X    -0.0132    0.0133    0.0110   -0.0074   -0.0055    0.0047
            Y     0.0089   -0.0091   -0.0061    0.0013   -0.0111    0.0094
            Z    -0.0068    0.0053    0.0088   -0.0071    0.0000   -0.0002
 AT. 124 O  X    -0.0132   -0.0133    0.0110    0.0074    0.0055    0.0047
            Y     0.0089    0.0091   -0.0061   -0.0013    0.0111    0.0094
            Z     0.0068    0.0053   -0.0088   -0.0071    0.0000    0.0002

 FREQ(CM**-1)    474.41    474.82    475.73    476.43    477.15    481.37

 AT.   1 SI X    -0.0009   -0.0005    0.0015   -0.0009   -0.0014    0.0004
            Y     0.0015    0.0016   -0.0009    0.0053    0.0031    0.0016
            Z    -0.0065    0.0111    0.0052   -0.0035   -0.0021   -0.0011
 AT.   2 SI X    -0.0009    0.0005   -0.0015    0.0009   -0.0014   -0.0004
            Y     0.0015   -0.0016    0.0009   -0.0053    0.0031   -0.0016
            Z     0.0065    0.0111    0.0052   -0.0035    0.0021   -0.0011
 AT.   3 SI X    -0.0009    0.0005    0.0015    0.0009    0.0014    0.0004
            Y    -0.0015    0.0016    0.0009    0.0053    0.0031   -0.0016
            Z     0.0065    0.0111   -0.0052   -0.0035   -0.0021    0.0011
 AT.   4 SI X    -0.0009   -0.0005   -0.0015   -0.0009    0.0014   -0.0004
            Y    -0.0015   -0.0016   -0.0009   -0.0053    0.0031    0.0016
            Z    -0.0065    0.0111   -0.0052   -0.0035    0.0021    0.0011
 AT.   5 SI X    -0.0009   -0.0005    0.0015    0.0009    0.0014   -0.0004
            Y     0.0015    0.0016   -0.0009   -0.0053   -0.0031   -0.0016
            Z    -0.0065    0.0111    0.0052    0.0035    0.0021    0.0011
 AT.   6 SI X    -0.0009    0.0005   -0.0015   -0.0009    0.0014    0.0004
            Y     0.0015   -0.0016    0.0009    0.0053   -0.0031    0.0016
            Z     0.0065    0.0111    0.0052    0.0035   -0.0021    0.0011
 AT.   7 SI X    -0.0009    0.0005    0.0015   -0.0009   -0.0014   -0.0004
            Y    -0.0015    0.0016    0.0009   -0.0053   -0.0031    0.0016
            Z     0.0065    0.0111   -0.0052    0.0035    0.0021   -0.0011
 AT.   8 SI X    -0.0009   -0.0005   -0.0015    0.0009   -0.0014    0.0004
            Y    -0.0015   -0.0016   -0.0009    0.0053   -0.0031   -0.0016
            Z    -0.0065    0.0111   -0.0052    0.0035   -0.0021   -0.0011
 AT.   9 SI X    -0.0068    0.0061    0.0074   -0.0067   -0.0079    0.0095
            Y     0.0007   -0.0004    0.0017    0.0004   -0.0032    0.0038
            Z    -0.0135    0.0122    0.0082   -0.0137   -0.0078    0.0006
 AT.  10 SI X    -0.0068   -0.0061   -0.0074    0.0067   -0.0079   -0.0095
            Y     0.0007    0.0004   -0.0017   -0.0004   -0.0032   -0.0038
            Z     0.0135    0.0122    0.0082   -0.0137    0.0078    0.0006
 AT.  11 SI X    -0.0068   -0.0061    0.0074    0.0067    0.0079    0.0095
            Y    -0.0007   -0.0004   -0.0017    0.0004   -0.0032   -0.0038
            Z     0.0135    0.0122   -0.0082   -0.0137   -0.0078   -0.0006
 AT.  12 SI X    -0.0068    0.0061   -0.0074   -0.0067    0.0079   -0.0095
            Y    -0.0007    0.0004    0.0017   -0.0004   -0.0032    0.0038
            Z    -0.0135    0.0122   -0.0082   -0.0137    0.0078   -0.0006
 AT.  13 SI X    -0.0068    0.0061    0.0074    0.0067    0.0079   -0.0095
            Y     0.0007   -0.0004    0.0017   -0.0004    0.0032   -0.0038
            Z    -0.0135    0.0122    0.0082    0.0137    0.0078   -0.0006
 AT.  14 SI X    -0.0068   -0.0061   -0.0074   -0.0067    0.0079    0.0095
            Y     0.0007    0.0004   -0.0017    0.0004    0.0032    0.0038
            Z     0.0135    0.0122    0.0082    0.0137   -0.0078   -0.0006
 AT.  15 SI X    -0.0068   -0.0061    0.0074   -0.0067   -0.0079   -0.0095
            Y    -0.0007   -0.0004   -0.0017   -0.0004    0.0032    0.0038
            Z     0.0135    0.0122   -0.0082    0.0137    0.0078    0.0006
 AT.  16 SI X    -0.0068    0.0061   -0.0074    0.0067   -0.0079    0.0095
            Y    -0.0007    0.0004    0.0017    0.0004    0.0032   -0.0038
            Z    -0.0135    0.0122   -0.0082    0.0137   -0.0078    0.0006
 AT.  17 SI X     0.0118   -0.0101    0.0000    0.0122    0.0000    0.0000
            Y     0.0000    0.0000   -0.0086    0.0000    0.0091    0.0005
            Z    -0.0048    0.0037    0.0000   -0.0071    0.0000    0.0000
 AT.  18 SI X     0.0118    0.0101    0.0000   -0.0122    0.0000    0.0000
            Y     0.0000    0.0000    0.0086    0.0000    0.0091   -0.0005
            Z     0.0048    0.0037    0.0000   -0.0071    0.0000    0.0000
 AT.  19 SI X     0.0118   -0.0101    0.0000   -0.0122    0.0000    0.0000
            Y     0.0000    0.0000   -0.0086    0.0000   -0.0091   -0.0005
            Z    -0.0048    0.0037    0.0000    0.0071    0.0000    0.0000
 AT.  20 SI X     0.0118    0.0101    0.0000    0.0122    0.0000    0.0000
            Y     0.0000    0.0000    0.0086    0.0000   -0.0091    0.0005
            Z     0.0048    0.0037    0.0000    0.0071    0.0000    0.0000
 AT.  21 CA X    -0.0005    0.0003    0.0007    0.0004    0.0000    0.0009
            Y    -0.0001    0.0000    0.0000    0.0012    0.0009    0.0003
            Z     0.0028   -0.0013   -0.0016    0.0001   -0.0006    0.0005
 AT.  22 CA X    -0.0005   -0.0003   -0.0007   -0.0004    0.0000   -0.0009
            Y    -0.0001    0.0000    0.0000   -0.0012    0.0009   -0.0003
            Z    -0.0028   -0.0013   -0.0016    0.0001    0.0006    0.0005
 AT.  23 CA X    -0.0005   -0.0003    0.0007   -0.0004    0.0000    0.0009
            Y     0.0001    0.0000    0.0000    0.0012    0.0009   -0.0003
            Z    -0.0028   -0.0013    0.0016    0.0001   -0.0006   -0.0005
 AT.  24 CA X    -0.0005    0.0003   -0.0007    0.0004    0.0000   -0.0009
            Y     0.0001    0.0000    0.0000   -0.0012    0.0009    0.0003
            Z     0.0028   -0.0013    0.0016    0.0001    0.0006   -0.0005
 AT.  25 CA X    -0.0005    0.0003    0.0007   -0.0004    0.0000   -0.0009
            Y    -0.0001    0.0000    0.0000   -0.0012   -0.0009   -0.0003
            Z     0.0028   -0.0013   -0.0016   -0.0001    0.0006   -0.0005
 AT.  26 CA X    -0.0005   -0.0003   -0.0007    0.0004    0.0000    0.0009
            Y    -0.0001    0.0000    0.0000    0.0012   -0.0009    0.0003
            Z    -0.0028   -0.0013   -0.0016   -0.0001   -0.0006   -0.0005
 AT.  27 CA X    -0.0005   -0.0003    0.0007    0.0004    0.0000   -0.0009
            Y     0.0001    0.0000    0.0000   -0.0012   -0.0009    0.0003
            Z    -0.0028   -0.0013    0.0016   -0.0001    0.0006    0.0005
 AT.  28 CA X    -0.0005    0.0003   -0.0007   -0.0004    0.0000    0.0009
            Y     0.0001    0.0000    0.0000    0.0012   -0.0009   -0.0003
            Z     0.0028   -0.0013    0.0016   -0.0001   -0.0006    0.0005
 AT.  29 CA X     0.0011   -0.0016   -0.0011    0.0000    0.0000    0.0000
            Y     0.0012   -0.0011   -0.0012    0.0000    0.0000    0.0000
            Z    -0.0003   -0.0006    0.0001    0.0000    0.0000    0.0000
 AT.  30 CA X     0.0011    0.0016    0.0011    0.0000    0.0000    0.0000
            Y     0.0012    0.0011    0.0012    0.0000    0.0000    0.0000
            Z     0.0003   -0.0006    0.0001    0.0000    0.0000    0.0000
 AT.  31 CA X     0.0011    0.0016   -0.0011    0.0000    0.0000    0.0000
            Y    -0.0012   -0.0011    0.0012    0.0000    0.0000    0.0000
            Z     0.0003   -0.0006   -0.0001    0.0000    0.0000    0.0000
 AT.  32 CA X     0.0011   -0.0016    0.0011    0.0000    0.0000    0.0000
            Y    -0.0012    0.0011   -0.0012    0.0000    0.0000    0.0000
            Z    -0.0003   -0.0006   -0.0001    0.0000    0.0000    0.0000
 AT.  33 CA X     0.0004    0.0001   -0.0008    0.0008    0.0013   -0.0017
            Y    -0.0010    0.0010   -0.0006    0.0001    0.0014   -0.0011
            Z    -0.0018    0.0012    0.0017   -0.0023   -0.0022    0.0020
 AT.  34 CA X     0.0004   -0.0001    0.0008   -0.0008    0.0013    0.0017
            Y    -0.0010   -0.0010    0.0006   -0.0001    0.0014    0.0011
            Z     0.0018    0.0012    0.0017   -0.0023    0.0022    0.0020
 AT.  35 CA X     0.0004   -0.0001   -0.0008   -0.0008   -0.0013   -0.0017
            Y     0.0010    0.0010    0.0006    0.0001    0.0014    0.0011
            Z     0.0018    0.0012   -0.0017   -0.0023   -0.0022   -0.0020
 AT.  36 CA X     0.0004    0.0001    0.0008    0.0008   -0.0013    0.0017
            Y     0.0010   -0.0010   -0.0006   -0.0001    0.0014   -0.0011
            Z    -0.0018    0.0012   -0.0017   -0.0023    0.0022   -0.0020
 AT.  37 CA X     0.0004    0.0001   -0.0008   -0.0008   -0.0013    0.0017
            Y    -0.0010    0.0010   -0.0006   -0.0001   -0.0014    0.0011
            Z    -0.0018    0.0012    0.0017    0.0023    0.0022   -0.0020
 AT.  38 CA X     0.0004   -0.0001    0.0008    0.0008   -0.0013   -0.0017
            Y    -0.0010   -0.0010    0.0006    0.0001   -0.0014   -0.0011
            Z     0.0018    0.0012    0.0017    0.0023   -0.0022   -0.0020
 AT.  39 CA X     0.0004   -0.0001   -0.0008    0.0008    0.0013    0.0017
            Y     0.0010    0.0010    0.0006   -0.0001   -0.0014   -0.0011
            Z     0.0018    0.0012   -0.0017    0.0023    0.0022    0.0020
 AT.  40 CA X     0.0004    0.0001    0.0008   -0.0008    0.0013   -0.0017
            Y     0.0010   -0.0010   -0.0006    0.0001   -0.0014    0.0011
            Z    -0.0018    0.0012   -0.0017    0.0023   -0.0022    0.0020
 AT.  41 CA X    -0.0008   -0.0004    0.0011   -0.0010   -0.0012    0.0031
            Y     0.0015   -0.0017   -0.0015    0.0011    0.0016   -0.0007
            Z     0.0015   -0.0001   -0.0030   -0.0001    0.0020    0.0011
 AT.  42 CA X    -0.0008    0.0004   -0.0011    0.0010   -0.0012   -0.0031
            Y     0.0015    0.0017    0.0015   -0.0011    0.0016    0.0007
            Z    -0.0015   -0.0001   -0.0030   -0.0001   -0.0020    0.0011
 AT.  43 CA X    -0.0008    0.0004    0.0011    0.0010    0.0012    0.0031
            Y    -0.0015   -0.0017    0.0015    0.0011    0.0016    0.0007
            Z    -0.0015   -0.0001    0.0030   -0.0001    0.0020   -0.0011
 AT.  44 CA X    -0.0008   -0.0004   -0.0011   -0.0010    0.0012   -0.0031
            Y    -0.0015    0.0017   -0.0015   -0.0011    0.0016   -0.0007
            Z     0.0015   -0.0001    0.0030   -0.0001   -0.0020   -0.0011
 AT.  45 CA X    -0.0008   -0.0004    0.0011    0.0010    0.0012   -0.0031
            Y     0.0015   -0.0017   -0.0015   -0.0011   -0.0016    0.0007
            Z     0.0015   -0.0001   -0.0030    0.0001   -0.0020   -0.0011
 AT.  46 CA X    -0.0008    0.0004   -0.0011   -0.0010    0.0012    0.0031
            Y     0.0015    0.0017    0.0015    0.0011   -0.0016   -0.0007
            Z    -0.0015   -0.0001   -0.0030    0.0001    0.0020   -0.0011
 AT.  47 CA X    -0.0008    0.0004    0.0011   -0.0010   -0.0012   -0.0031
            Y    -0.0015   -0.0017    0.0015   -0.0011   -0.0016   -0.0007
            Z    -0.0015   -0.0001    0.0030    0.0001   -0.0020    0.0011
 AT.  48 CA X    -0.0008   -0.0004   -0.0011    0.0010   -0.0012    0.0031
            Y    -0.0015    0.0017   -0.0015    0.0011   -0.0016    0.0007
            Z     0.0015   -0.0001    0.0030    0.0001    0.0020    0.0011
 AT.  49 CA X     0.0020   -0.0003    0.0000    0.0020    0.0000    0.0000
            Y     0.0000    0.0000   -0.0041    0.0000    0.0040   -0.0008
            Z     0.0021   -0.0012    0.0000    0.0021    0.0000    0.0000
 AT.  50 CA X     0.0020    0.0003    0.0000   -0.0020    0.0000    0.0000
            Y     0.0000    0.0000    0.0041    0.0000    0.0040    0.0008
            Z    -0.0021   -0.0012    0.0000    0.0021    0.0000    0.0000
 AT.  51 CA X     0.0020   -0.0003    0.0000   -0.0020    0.0000    0.0000
            Y     0.0000    0.0000   -0.0041    0.0000   -0.0040    0.0008
            Z     0.0021   -0.0012    0.0000   -0.0021    0.0000    0.0000
 AT.  52 CA X     0.0020    0.0003    0.0000    0.0020    0.0000    0.0000
            Y     0.0000    0.0000    0.0041    0.0000   -0.0040   -0.0008
            Z    -0.0021   -0.0012    0.0000   -0.0021    0.0000    0.0000
 AT.  53 O  X    -0.0009    0.0049   -0.0004    0.0019    0.0021    0.0044
            Y     0.0014   -0.0001   -0.0005    0.0048    0.0024    0.0009
            Z     0.0083   -0.0114   -0.0066    0.0049    0.0028    0.0026
 AT.  54 O  X    -0.0009   -0.0049    0.0004   -0.0019    0.0021   -0.0044
            Y     0.0014    0.0001    0.0005   -0.0048    0.0024   -0.0009
            Z    -0.0083   -0.0114   -0.0066    0.0049   -0.0028    0.0026
 AT.  55 O  X    -0.0009   -0.0049   -0.0004   -0.0019   -0.0021    0.0044
            Y    -0.0014   -0.0001    0.0005    0.0048    0.0024   -0.0009
            Z    -0.0083   -0.0114    0.0066    0.0049    0.0028   -0.0026
 AT.  56 O  X    -0.0009    0.0049    0.0004    0.0019   -0.0021   -0.0044
            Y    -0.0014    0.0001   -0.0005   -0.0048    0.0024    0.0009
            Z     0.0083   -0.0114    0.0066    0.0049   -0.0028   -0.0026
 AT.  57 O  X    -0.0009    0.0049   -0.0004   -0.0019   -0.0021   -0.0044
            Y     0.0014   -0.0001   -0.0005   -0.0048   -0.0024   -0.0009
            Z     0.0083   -0.0114   -0.0066   -0.0049   -0.0028   -0.0026
 AT.  58 O  X    -0.0009   -0.0049    0.0004    0.0019   -0.0021    0.0044
            Y     0.0014    0.0001    0.0005    0.0048   -0.0024    0.0009
            Z    -0.0083   -0.0114   -0.0066   -0.0049    0.0028   -0.0026
 AT.  59 O  X    -0.0009   -0.0049   -0.0004    0.0019    0.0021   -0.0044
            Y    -0.0014   -0.0001    0.0005   -0.0048   -0.0024    0.0009
            Z    -0.0083   -0.0114    0.0066   -0.0049   -0.0028    0.0026
 AT.  60 O  X    -0.0009    0.0049    0.0004   -0.0019    0.0021    0.0044
            Y    -0.0014    0.0001   -0.0005    0.0048   -0.0024   -0.0009
            Z     0.0083   -0.0114    0.0066   -0.0049    0.0028    0.0026
 AT.  61 O  X     0.0023   -0.0049   -0.0005   -0.0005   -0.0021   -0.0020
            Y    -0.0079    0.0091    0.0060   -0.0078   -0.0046   -0.0019
            Z    -0.0012    0.0041    0.0007    0.0032    0.0020    0.0002
 AT.  62 O  X     0.0023    0.0049    0.0005    0.0005   -0.0021    0.0020
            Y    -0.0079   -0.0091   -0.0060    0.0078   -0.0046    0.0019
            Z     0.0012    0.0041    0.0007    0.0032   -0.0020    0.0002
 AT.  63 O  X     0.0023    0.0049   -0.0005    0.0005    0.0021   -0.0020
            Y     0.0079    0.0091   -0.0060   -0.0078   -0.0046    0.0019
            Z     0.0012    0.0041   -0.0007    0.0032    0.0020   -0.0002
 AT.  64 O  X     0.0023   -0.0049    0.0005   -0.0005    0.0021    0.0020
            Y     0.0079   -0.0091    0.0060    0.0078   -0.0046   -0.0019
            Z    -0.0012    0.0041   -0.0007    0.0032   -0.0020   -0.0002
 AT.  65 O  X     0.0023   -0.0049   -0.0005    0.0005    0.0021    0.0020
            Y    -0.0079    0.0091    0.0060    0.0078    0.0046    0.0019
            Z    -0.0012    0.0041    0.0007   -0.0032   -0.0020   -0.0002
 AT.  66 O  X     0.0023    0.0049    0.0005   -0.0005    0.0021   -0.0020
            Y    -0.0079   -0.0091   -0.0060   -0.0078    0.0046   -0.0019
            Z     0.0012    0.0041    0.0007   -0.0032    0.0020   -0.0002
 AT.  67 O  X     0.0023    0.0049   -0.0005   -0.0005   -0.0021    0.0020
            Y     0.0079    0.0091   -0.0060    0.0078    0.0046   -0.0019
            Z     0.0012    0.0041   -0.0007   -0.0032   -0.0020    0.0002
 AT.  68 O  X     0.0023   -0.0049    0.0005    0.0005   -0.0021   -0.0020
            Y     0.0079   -0.0091    0.0060   -0.0078    0.0046    0.0019
            Z    -0.0012    0.0041   -0.0007   -0.0032    0.0020    0.0002
 AT.  69 O  X    -0.0013    0.0019    0.0000   -0.0013    0.0010   -0.0008
            Y     0.0051   -0.0088   -0.0042   -0.0001    0.0002   -0.0001
            Z    -0.0052    0.0039    0.0047   -0.0053   -0.0039   -0.0017
 AT.  70 O  X    -0.0013   -0.0019    0.0000    0.0013    0.0010    0.0008
            Y     0.0051    0.0088    0.0042    0.0001    0.0002    0.0001
            Z     0.0052    0.0039    0.0047   -0.0053    0.0039   -0.0017
 AT.  71 O  X    -0.0013   -0.0019    0.0000    0.0013   -0.0010   -0.0008
            Y    -0.0051   -0.0088    0.0042   -0.0001    0.0002    0.0001
            Z     0.0052    0.0039   -0.0047   -0.0053   -0.0039    0.0017
 AT.  72 O  X    -0.0013    0.0019    0.0000   -0.0013   -0.0010    0.0008
            Y    -0.0051    0.0088   -0.0042    0.0001    0.0002   -0.0001
            Z    -0.0052    0.0039   -0.0047   -0.0053    0.0039    0.0017
 AT.  73 O  X    -0.0013    0.0019    0.0000    0.0013   -0.0010    0.0008
            Y     0.0051   -0.0088   -0.0042    0.0001   -0.0002    0.0001
            Z    -0.0052    0.0039    0.0047    0.0053    0.0039    0.0017
 AT.  74 O  X    -0.0013   -0.0019    0.0000   -0.0013   -0.0010   -0.0008
            Y     0.0051    0.0088    0.0042   -0.0001   -0.0002   -0.0001
            Z     0.0052    0.0039    0.0047    0.0053   -0.0039    0.0017
 AT.  75 O  X    -0.0013   -0.0019    0.0000   -0.0013    0.0010    0.0008
            Y    -0.0051   -0.0088    0.0042    0.0001   -0.0002   -0.0001
            Z     0.0052    0.0039   -0.0047    0.0053    0.0039   -0.0017
 AT.  76 O  X    -0.0013    0.0019    0.0000    0.0013    0.0010   -0.0008
            Y    -0.0051    0.0088   -0.0042   -0.0001   -0.0002    0.0001
            Z    -0.0052    0.0039   -0.0047    0.0053   -0.0039   -0.0017
 AT.  77 O  X    -0.0015    0.0000    0.0022   -0.0013   -0.0019    0.0009
            Y    -0.0002   -0.0027    0.0010   -0.0042   -0.0033   -0.0020
            Z     0.0074   -0.0101   -0.0051    0.0038    0.0018   -0.0006
 AT.  78 O  X    -0.0015    0.0000   -0.0022    0.0013   -0.0019   -0.0009
            Y    -0.0002    0.0027   -0.0010    0.0042   -0.0033    0.0020
            Z    -0.0074   -0.0101   -0.0051    0.0038   -0.0018   -0.0006
 AT.  79 O  X    -0.0015    0.0000    0.0022    0.0013    0.0019    0.0009
            Y     0.0002   -0.0027   -0.0010   -0.0042   -0.0033    0.0020
            Z    -0.0074   -0.0101    0.0051    0.0038    0.0018    0.0006
 AT.  80 O  X    -0.0015    0.0000   -0.0022   -0.0013    0.0019   -0.0009
            Y     0.0002    0.0027    0.0010    0.0042   -0.0033   -0.0020
            Z     0.0074   -0.0101    0.0051    0.0038   -0.0018    0.0006
 AT.  81 O  X    -0.0015    0.0000    0.0022    0.0013    0.0019   -0.0009
            Y    -0.0002   -0.0027    0.0010    0.0042    0.0033    0.0020
            Z     0.0074   -0.0101   -0.0051   -0.0038   -0.0018    0.0006
 AT.  82 O  X    -0.0015    0.0000   -0.0022   -0.0013    0.0019    0.0009
            Y    -0.0002    0.0027   -0.0010   -0.0042    0.0033   -0.0020
            Z    -0.0074   -0.0101   -0.0051   -0.0038    0.0018    0.0006
 AT.  83 O  X    -0.0015    0.0000    0.0022   -0.0013   -0.0019   -0.0009
            Y     0.0002   -0.0027   -0.0010    0.0042    0.0033   -0.0020
            Z    -0.0074   -0.0101    0.0051   -0.0038   -0.0018   -0.0006
 AT.  84 O  X    -0.0015    0.0000   -0.0022    0.0013   -0.0019    0.0009
            Y     0.0002    0.0027    0.0010   -0.0042    0.0033    0.0020
            Z     0.0074   -0.0101    0.0051   -0.0038    0.0018   -0.0006
 AT.  85 O  X     0.0157   -0.0149   -0.0173    0.0151    0.0181   -0.0187
            Y    -0.0038    0.0044    0.0037   -0.0049   -0.0026   -0.0058
            Z    -0.0014    0.0002   -0.0024   -0.0005    0.0025   -0.0053
 AT.  86 O  X     0.0157    0.0149    0.0173   -0.0151    0.0181    0.0187
            Y    -0.0038   -0.0044   -0.0037    0.0049   -0.0026    0.0058
            Z     0.0014    0.0002   -0.0024   -0.0005   -0.0025   -0.0053
 AT.  87 O  X     0.0157    0.0149   -0.0173   -0.0151   -0.0181   -0.0187
            Y     0.0038    0.0044   -0.0037   -0.0049   -0.0026    0.0058
            Z     0.0014    0.0002    0.0024   -0.0005    0.0025    0.0053
 AT.  88 O  X     0.0157   -0.0149    0.0173    0.0151   -0.0181    0.0187
            Y     0.0038   -0.0044    0.0037    0.0049   -0.0026   -0.0058
            Z    -0.0014    0.0002    0.0024   -0.0005   -0.0025    0.0053
 AT.  89 O  X     0.0157   -0.0149   -0.0173   -0.0151   -0.0181    0.0187
            Y    -0.0038    0.0044    0.0037    0.0049    0.0026    0.0058
            Z    -0.0014    0.0002   -0.0024    0.0005   -0.0025    0.0053
 AT.  90 O  X     0.0157    0.0149    0.0173    0.0151   -0.0181   -0.0187
            Y    -0.0038   -0.0044   -0.0037   -0.0049    0.0026   -0.0058
            Z     0.0014    0.0002   -0.0024    0.0005    0.0025    0.0053
 AT.  91 O  X     0.0157    0.0149   -0.0173    0.0151    0.0181    0.0187
            Y     0.0038    0.0044   -0.0037    0.0049    0.0026   -0.0058
            Z     0.0014    0.0002    0.0024    0.0005   -0.0025   -0.0053
 AT.  92 O  X     0.0157   -0.0149    0.0173   -0.0151    0.0181   -0.0187
            Y     0.0038   -0.0044    0.0037   -0.0049    0.0026    0.0058
            Z    -0.0014    0.0002    0.0024    0.0005    0.0025   -0.0053
 AT.  93 O  X     0.0039   -0.0039   -0.0101    0.0037    0.0102   -0.0157
            Y    -0.0086    0.0070    0.0093   -0.0090   -0.0110    0.0133
            Z     0.0129   -0.0099   -0.0098    0.0147    0.0103    0.0005
 AT.  94 O  X     0.0039    0.0039    0.0101   -0.0037    0.0102    0.0157
            Y    -0.0086   -0.0070   -0.0093    0.0090   -0.0110   -0.0133
            Z    -0.0129   -0.0099   -0.0098    0.0147   -0.0103    0.0005
 AT.  95 O  X     0.0039    0.0039   -0.0101   -0.0037   -0.0102   -0.0157
            Y     0.0086    0.0070   -0.0093   -0.0090   -0.0110   -0.0133
            Z    -0.0129   -0.0099    0.0098    0.0147    0.0103   -0.0005
 AT.  96 O  X     0.0039   -0.0039    0.0101    0.0037   -0.0102    0.0157
            Y     0.0086   -0.0070    0.0093    0.0090   -0.0110    0.0133
            Z     0.0129   -0.0099    0.0098    0.0147   -0.0103   -0.0005
 AT.  97 O  X     0.0039   -0.0039   -0.0101   -0.0037   -0.0102    0.0157
            Y    -0.0086    0.0070    0.0093    0.0090    0.0110   -0.0133
            Z     0.0129   -0.0099   -0.0098   -0.0147   -0.0103   -0.0005
 AT.  98 O  X     0.0039    0.0039    0.0101    0.0037   -0.0102   -0.0157
            Y    -0.0086   -0.0070   -0.0093   -0.0090    0.0110    0.0133
            Z    -0.0129   -0.0099   -0.0098   -0.0147    0.0103   -0.0005
 AT.  99 O  X     0.0039    0.0039   -0.0101    0.0037    0.0102    0.0157
            Y     0.0086    0.0070   -0.0093    0.0090    0.0110    0.0133
            Z    -0.0129   -0.0099    0.0098   -0.0147   -0.0103    0.0005
 AT. 100 O  X     0.0039   -0.0039    0.0101   -0.0037    0.0102   -0.0157
            Y     0.0086   -0.0070    0.0093   -0.0090    0.0110   -0.0133
            Z     0.0129   -0.0099    0.0098   -0.0147    0.0103    0.0005
 AT. 101 O  X    -0.0065    0.0063    0.0168   -0.0053   -0.0168    0.0214
            Y     0.0118   -0.0100   -0.0125    0.0129    0.0130   -0.0090
            Z     0.0001    0.0012    0.0022    0.0006   -0.0010   -0.0023
 AT. 102 O  X    -0.0065   -0.0063   -0.0168    0.0053   -0.0168   -0.0214
            Y     0.0118    0.0100    0.0125   -0.0129    0.0130    0.0090
            Z    -0.0001    0.0012    0.0022    0.0006    0.0010   -0.0023
 AT. 103 O  X    -0.0065   -0.0063    0.0168    0.0053    0.0168    0.0214
            Y    -0.0118   -0.0100    0.0125    0.0129    0.0130    0.0090
            Z    -0.0001    0.0012   -0.0022    0.0006   -0.0010    0.0023
 AT. 104 O  X    -0.0065    0.0063   -0.0168   -0.0053    0.0168   -0.0214
            Y    -0.0118    0.0100   -0.0125   -0.0129    0.0130   -0.0090
            Z     0.0001    0.0012   -0.0022    0.0006    0.0010    0.0023
 AT. 105 O  X    -0.0065    0.0063    0.0168    0.0053    0.0168   -0.0214
            Y     0.0118   -0.0100   -0.0125   -0.0129   -0.0130    0.0090
            Z     0.0001    0.0012    0.0022   -0.0006    0.0010    0.0023
 AT. 106 O  X    -0.0065   -0.0063   -0.0168   -0.0053    0.0168    0.0214
            Y     0.0118    0.0100    0.0125    0.0129   -0.0130   -0.0090
            Z    -0.0001    0.0012    0.0022   -0.0006   -0.0010    0.0023
 AT. 107 O  X    -0.0065   -0.0063    0.0168   -0.0053   -0.0168   -0.0214
            Y    -0.0118   -0.0100    0.0125   -0.0129   -0.0130   -0.0090
            Z    -0.0001    0.0012   -0.0022   -0.0006    0.0010   -0.0023
 AT. 108 O  X    -0.0065    0.0063   -0.0168    0.0053   -0.0168    0.0214
            Y    -0.0118    0.0100   -0.0125    0.0129   -0.0130    0.0090
            Z     0.0001    0.0012   -0.0022   -0.0006   -0.0010   -0.0023
 AT. 109 O  X    -0.0052    0.0048    0.0073   -0.0052   -0.0081    0.0108
            Y     0.0003    0.0007    0.0046   -0.0002   -0.0034    0.0037
            Z     0.0147   -0.0139   -0.0152    0.0144    0.0152   -0.0110
 AT. 110 O  X    -0.0052   -0.0048   -0.0073    0.0052   -0.0081   -0.0108
            Y     0.0003   -0.0007   -0.0046    0.0002   -0.0034   -0.0037
            Z    -0.0147   -0.0139   -0.0152    0.0144   -0.0152   -0.0110
 AT. 111 O  X    -0.0052   -0.0048    0.0073    0.0052    0.0081    0.0108
            Y    -0.0003    0.0007   -0.0046   -0.0002   -0.0034   -0.0037
            Z    -0.0147   -0.0139    0.0152    0.0144    0.0152    0.0110
 AT. 112 O  X    -0.0052    0.0048   -0.0073   -0.0052    0.0081   -0.0108
            Y    -0.0003   -0.0007    0.0046    0.0002   -0.0034    0.0037
            Z     0.0147   -0.0139    0.0152    0.0144   -0.0152    0.0110
 AT. 113 O  X    -0.0052    0.0048    0.0073    0.0052    0.0081   -0.0108
            Y     0.0003    0.0007    0.0046    0.0002    0.0034   -0.0037
            Z     0.0147   -0.0139   -0.0152   -0.0144   -0.0152    0.0110
 AT. 114 O  X    -0.0052   -0.0048   -0.0073   -0.0052    0.0081    0.0108
            Y     0.0003   -0.0007   -0.0046   -0.0002    0.0034    0.0037
            Z    -0.0147   -0.0139   -0.0152   -0.0144    0.0152    0.0110
 AT. 115 O  X    -0.0052   -0.0048    0.0073   -0.0052   -0.0081   -0.0108
            Y    -0.0003    0.0007   -0.0046    0.0002    0.0034    0.0037
            Z    -0.0147   -0.0139    0.0152   -0.0144   -0.0152   -0.0110
 AT. 116 O  X    -0.0052    0.0048   -0.0073    0.0052   -0.0081    0.0108
            Y    -0.0003   -0.0007    0.0046   -0.0002    0.0034   -0.0037
            Z     0.0147   -0.0139    0.0152   -0.0144    0.0152   -0.0110
 AT. 117 O  X    -0.0051    0.0036   -0.0064   -0.0065    0.0063    0.0003
            Y     0.0063   -0.0052    0.0044    0.0053   -0.0038   -0.0044
            Z     0.0062   -0.0051   -0.0028    0.0065    0.0030    0.0042
 AT. 118 O  X    -0.0051   -0.0036    0.0064    0.0065    0.0063   -0.0003
            Y     0.0063    0.0052   -0.0044   -0.0053   -0.0038    0.0044
            Z    -0.0062   -0.0051   -0.0028    0.0065   -0.0030    0.0042
 AT. 119 O  X    -0.0051   -0.0036   -0.0064    0.0065   -0.0063    0.0003
            Y    -0.0063   -0.0052   -0.0044    0.0053   -0.0038    0.0044
            Z    -0.0062   -0.0051    0.0028    0.0065    0.0030   -0.0042
 AT. 120 O  X    -0.0051    0.0036    0.0064   -0.0065   -0.0063   -0.0003
            Y    -0.0063    0.0052    0.0044   -0.0053   -0.0038   -0.0044
            Z     0.0062   -0.0051    0.0028    0.0065   -0.0030   -0.0042
 AT. 121 O  X    -0.0051    0.0036   -0.0064    0.0065   -0.0063   -0.0003
            Y     0.0063   -0.0052    0.0044   -0.0053    0.0038    0.0044
            Z     0.0062   -0.0051   -0.0028   -0.0065   -0.0030   -0.0042
 AT. 122 O  X    -0.0051   -0.0036    0.0064   -0.0065   -0.0063    0.0003
            Y     0.0063    0.0052   -0.0044    0.0053    0.0038   -0.0044
            Z    -0.0062   -0.0051   -0.0028   -0.0065    0.0030   -0.0042
 AT. 123 O  X    -0.0051   -0.0036   -0.0064   -0.0065    0.0063   -0.0003
            Y    -0.0063   -0.0052   -0.0044   -0.0053    0.0038   -0.0044
            Z    -0.0062   -0.0051    0.0028   -0.0065   -0.0030    0.0042
 AT. 124 O  X    -0.0051    0.0036    0.0064    0.0065    0.0063    0.0003
            Y    -0.0063    0.0052    0.0044    0.0053    0.0038    0.0044
            Z     0.0062   -0.0051    0.0028   -0.0065    0.0030    0.0042

 FREQ(CM**-1)    481.90    494.06    501.99    505.58    506.64    511.17

 AT.   1 SI X     0.0002    0.0016    0.0015    0.0006    0.0000   -0.0001
            Y    -0.0012   -0.0028    0.0073   -0.0083   -0.0013    0.0024
            Z     0.0013   -0.0123   -0.0069   -0.0106    0.0012    0.0050
 AT.   2 SI X     0.0002   -0.0016    0.0015    0.0006    0.0000    0.0001
            Y    -0.0012    0.0028    0.0073   -0.0083   -0.0013   -0.0024
            Z    -0.0013   -0.0123    0.0069    0.0106   -0.0012    0.0050
 AT.   3 SI X    -0.0002    0.0016   -0.0015    0.0006    0.0000    0.0001
            Y    -0.0012    0.0028    0.0073    0.0083    0.0013    0.0024
            Z     0.0013    0.0123   -0.0069    0.0106   -0.0012    0.0050
 AT.   4 SI X    -0.0002   -0.0016   -0.0015    0.0006    0.0000   -0.0001
            Y    -0.0012   -0.0028    0.0073    0.0083    0.0013   -0.0024
            Z    -0.0013    0.0123    0.0069   -0.0106    0.0012    0.0050
 AT.   5 SI X     0.0002    0.0016   -0.0015    0.0006    0.0000   -0.0001
            Y    -0.0012   -0.0028   -0.0073   -0.0083    0.0013    0.0024
            Z     0.0013   -0.0123    0.0069   -0.0106   -0.0012    0.0050
 AT.   6 SI X     0.0002   -0.0016   -0.0015    0.0006    0.0000    0.0001
            Y    -0.0012    0.0028   -0.0073   -0.0083    0.0013   -0.0024
            Z    -0.0013   -0.0123   -0.0069    0.0106    0.0012    0.0050
 AT.   7 SI X    -0.0002    0.0016    0.0015    0.0006    0.0000    0.0001
            Y    -0.0012    0.0028   -0.0073    0.0083   -0.0013    0.0024
            Z     0.0013    0.0123    0.0069    0.0106    0.0012    0.0050
 AT.   8 SI X    -0.0002   -0.0016    0.0015    0.0006    0.0000   -0.0001
            Y    -0.0012   -0.0028   -0.0073    0.0083   -0.0013   -0.0024
            Z    -0.0013    0.0123   -0.0069   -0.0106   -0.0012    0.0050
 AT.   9 SI X    -0.0095    0.0055    0.0057    0.0036   -0.0125   -0.0111
            Y    -0.0040    0.0076    0.0066    0.0012    0.0051    0.0051
            Z    -0.0005   -0.0040   -0.0082    0.0019   -0.0013    0.0030
 AT.  10 SI X    -0.0095   -0.0055    0.0057    0.0036   -0.0125    0.0111
            Y    -0.0040   -0.0076    0.0066    0.0012    0.0051   -0.0051
            Z     0.0005   -0.0040    0.0082   -0.0019    0.0013    0.0030
 AT.  11 SI X     0.0095    0.0055   -0.0057    0.0036   -0.0125    0.0111
            Y    -0.0040   -0.0076    0.0066   -0.0012   -0.0051    0.0051
            Z    -0.0005    0.0040   -0.0082   -0.0019    0.0013    0.0030
 AT.  12 SI X     0.0095   -0.0055   -0.0057    0.0036   -0.0125   -0.0111
            Y    -0.0040    0.0076    0.0066   -0.0012   -0.0051   -0.0051
            Z     0.0005    0.0040    0.0082    0.0019   -0.0013    0.0030
 AT.  13 SI X    -0.0095    0.0055   -0.0057    0.0036    0.0125   -0.0111
            Y    -0.0040    0.0076   -0.0066    0.0012   -0.0051    0.0051
            Z    -0.0005   -0.0040    0.0082    0.0019    0.0013    0.0030
 AT.  14 SI X    -0.0095   -0.0055   -0.0057    0.0036    0.0125    0.0111
            Y    -0.0040   -0.0076   -0.0066    0.0012   -0.0051   -0.0051
            Z     0.0005   -0.0040   -0.0082   -0.0019   -0.0013    0.0030
 AT.  15 SI X     0.0095    0.0055    0.0057    0.0036    0.0125    0.0111
            Y    -0.0040   -0.0076   -0.0066   -0.0012    0.0051    0.0051
            Z    -0.0005    0.0040    0.0082   -0.0019   -0.0013    0.0030
 AT.  16 SI X     0.0095   -0.0055    0.0057    0.0036    0.0125   -0.0111
            Y    -0.0040    0.0076   -0.0066   -0.0012    0.0051   -0.0051
            Z     0.0005    0.0040   -0.0082    0.0019    0.0013    0.0030
 AT.  17 SI X     0.0000    0.0000    0.0000   -0.0042    0.0126    0.0084
            Y    -0.0007   -0.0016    0.0016    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000    0.0070   -0.0047   -0.0023
 AT.  18 SI X     0.0000    0.0000    0.0000   -0.0042    0.0126   -0.0084
            Y    -0.0007    0.0016    0.0016    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000   -0.0070    0.0047   -0.0023
 AT.  19 SI X     0.0000    0.0000    0.0000   -0.0042   -0.0126    0.0084
            Y    -0.0007   -0.0016   -0.0016    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000    0.0070    0.0047   -0.0023
 AT.  20 SI X     0.0000    0.0000    0.0000   -0.0042   -0.0126   -0.0084
            Y    -0.0007    0.0016   -0.0016    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000   -0.0070   -0.0047   -0.0023
 AT.  21 CA X    -0.0008   -0.0001    0.0011   -0.0005   -0.0009   -0.0009
            Y    -0.0002   -0.0009    0.0001   -0.0008   -0.0002   -0.0008
            Z    -0.0009    0.0022   -0.0002    0.0004   -0.0013   -0.0008
 AT.  22 CA X    -0.0008    0.0001    0.0011   -0.0005   -0.0009    0.0009
            Y    -0.0002    0.0009    0.0001   -0.0008   -0.0002    0.0008
            Z     0.0009    0.0022    0.0002   -0.0004    0.0013   -0.0008
 AT.  23 CA X     0.0008   -0.0001   -0.0011   -0.0005   -0.0009    0.0009
            Y    -0.0002    0.0009    0.0001    0.0008    0.0002   -0.0008
            Z    -0.0009   -0.0022   -0.0002   -0.0004    0.0013   -0.0008
 AT.  24 CA X     0.0008    0.0001   -0.0011   -0.0005   -0.0009   -0.0009
            Y    -0.0002   -0.0009    0.0001    0.0008    0.0002    0.0008
            Z     0.0009   -0.0022    0.0002    0.0004   -0.0013   -0.0008
 AT.  25 CA X    -0.0008   -0.0001   -0.0011   -0.0005    0.0009   -0.0009
            Y    -0.0002   -0.0009   -0.0001   -0.0008    0.0002   -0.0008
            Z    -0.0009    0.0022    0.0002    0.0004    0.0013   -0.0008
 AT.  26 CA X    -0.0008    0.0001   -0.0011   -0.0005    0.0009    0.0009
            Y    -0.0002    0.0009   -0.0001   -0.0008    0.0002    0.0008
            Z     0.0009    0.0022   -0.0002   -0.0004   -0.0013   -0.0008
 AT.  27 CA X     0.0008   -0.0001    0.0011   -0.0005    0.0009    0.0009
            Y    -0.0002    0.0009   -0.0001    0.0008   -0.0002   -0.0008
            Z    -0.0009   -0.0022    0.0002   -0.0004   -0.0013   -0.0008
 AT.  28 CA X     0.0008    0.0001    0.0011   -0.0005    0.0009   -0.0009
            Y    -0.0002   -0.0009   -0.0001    0.0008   -0.0002    0.0008
            Z     0.0009   -0.0022   -0.0002    0.0004    0.0013   -0.0008
 AT.  29 CA X     0.0008    0.0001    0.0000    0.0005    0.0000    0.0004
            Y    -0.0004    0.0003    0.0000   -0.0027    0.0000   -0.0002
            Z     0.0008   -0.0021    0.0000   -0.0019    0.0000    0.0019
 AT.  30 CA X     0.0008   -0.0001    0.0000    0.0005    0.0000   -0.0004
            Y    -0.0004   -0.0003    0.0000   -0.0027    0.0000    0.0002
            Z    -0.0008   -0.0021    0.0000    0.0019    0.0000    0.0019
 AT.  31 CA X    -0.0008    0.0001    0.0000    0.0005    0.0000   -0.0004
            Y    -0.0004   -0.0003    0.0000    0.0027    0.0000   -0.0002
            Z     0.0008    0.0021    0.0000    0.0019    0.0000    0.0019
 AT.  32 CA X    -0.0008   -0.0001    0.0000    0.0005    0.0000    0.0004
            Y    -0.0004    0.0003    0.0000    0.0027    0.0000    0.0002
            Z    -0.0008    0.0021    0.0000   -0.0019    0.0000    0.0019
 AT.  33 CA X     0.0018   -0.0023   -0.0019   -0.0011    0.0013    0.0011
            Y     0.0011   -0.0016    0.0003   -0.0025    0.0010    0.0014
            Z    -0.0021    0.0015    0.0009    0.0006   -0.0012    0.0004
 AT.  34 CA X     0.0018    0.0023   -0.0019   -0.0011    0.0013   -0.0011
            Y     0.0011    0.0016    0.0003   -0.0025    0.0010   -0.0014
            Z     0.0021    0.0015   -0.0009   -0.0006    0.0012    0.0004
 AT.  35 CA X    -0.0018   -0.0023    0.0019   -0.0011    0.0013   -0.0011
            Y     0.0011    0.0016    0.0003    0.0025   -0.0010    0.0014
            Z    -0.0021   -0.0015    0.0009   -0.0006    0.0012    0.0004
 AT.  36 CA X    -0.0018    0.0023    0.0019   -0.0011    0.0013    0.0011
            Y     0.0011   -0.0016    0.0003    0.0025   -0.0010   -0.0014
            Z     0.0021   -0.0015   -0.0009    0.0006   -0.0012    0.0004
 AT.  37 CA X     0.0018   -0.0023    0.0019   -0.0011   -0.0013    0.0011
            Y     0.0011   -0.0016   -0.0003   -0.0025   -0.0010    0.0014
            Z    -0.0021    0.0015   -0.0009    0.0006    0.0012    0.0004
 AT.  38 CA X     0.0018    0.0023    0.0019   -0.0011   -0.0013   -0.0011
            Y     0.0011    0.0016   -0.0003   -0.0025   -0.0010   -0.0014
            Z     0.0021    0.0015    0.0009   -0.0006   -0.0012    0.0004
 AT.  39 CA X    -0.0018   -0.0023   -0.0019   -0.0011   -0.0013   -0.0011
            Y     0.0011    0.0016   -0.0003    0.0025    0.0010    0.0014
            Z    -0.0021   -0.0015   -0.0009   -0.0006   -0.0012    0.0004
 AT.  40 CA X    -0.0018    0.0023   -0.0019   -0.0011   -0.0013    0.0011
            Y     0.0011   -0.0016   -0.0003    0.0025    0.0010   -0.0014
            Z     0.0021   -0.0015    0.0009    0.0006    0.0012    0.0004
 AT.  41 CA X    -0.0031    0.0002   -0.0011    0.0008   -0.0014   -0.0019
            Y     0.0007   -0.0018   -0.0029    0.0008    0.0000   -0.0006
            Z    -0.0010    0.0032    0.0013    0.0037   -0.0014   -0.0010
 AT.  42 CA X    -0.0031   -0.0002   -0.0011    0.0008   -0.0014    0.0019
            Y     0.0007    0.0018   -0.0029    0.0008    0.0000    0.0006
            Z     0.0010    0.0032   -0.0013   -0.0037    0.0014   -0.0010
 AT.  43 CA X     0.0031    0.0002    0.0011    0.0008   -0.0014    0.0019
            Y     0.0007    0.0018   -0.0029   -0.0008    0.0000   -0.0006
            Z    -0.0010   -0.0032    0.0013   -0.0037    0.0014   -0.0010
 AT.  44 CA X     0.0031   -0.0002    0.0011    0.0008   -0.0014   -0.0019
            Y     0.0007   -0.0018   -0.0029   -0.0008    0.0000    0.0006
            Z     0.0010   -0.0032   -0.0013    0.0037   -0.0014   -0.0010
 AT.  45 CA X    -0.0031    0.0002    0.0011    0.0008    0.0014   -0.0019
            Y     0.0007   -0.0018    0.0029    0.0008    0.0000   -0.0006
            Z    -0.0010    0.0032   -0.0013    0.0037    0.0014   -0.0010
 AT.  46 CA X    -0.0031   -0.0002    0.0011    0.0008    0.0014    0.0019
            Y     0.0007    0.0018    0.0029    0.0008    0.0000    0.0006
            Z     0.0010    0.0032    0.0013   -0.0037   -0.0014   -0.0010
 AT.  47 CA X     0.0031    0.0002   -0.0011    0.0008    0.0014    0.0019
            Y     0.0007    0.0018    0.0029   -0.0008    0.0000   -0.0006
            Z    -0.0010   -0.0032   -0.0013   -0.0037   -0.0014   -0.0010
 AT.  48 CA X     0.0031   -0.0002   -0.0011    0.0008    0.0014   -0.0019
            Y     0.0007   -0.0018    0.0029   -0.0008    0.0000    0.0006
            Z     0.0010   -0.0032    0.0013    0.0037    0.0014   -0.0010
 AT.  49 CA X     0.0000    0.0000    0.0000   -0.0005    0.0003    0.0003
            Y     0.0009    0.0000    0.0002    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000   -0.0003   -0.0004    0.0002
 AT.  50 CA X     0.0000    0.0000    0.0000   -0.0005    0.0003   -0.0003
            Y     0.0009    0.0000    0.0002    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000    0.0003    0.0004    0.0002
 AT.  51 CA X     0.0000    0.0000    0.0000   -0.0005   -0.0003    0.0003
            Y     0.0009    0.0000   -0.0002    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000   -0.0003    0.0004    0.0002
 AT.  52 CA X     0.0000    0.0000    0.0000   -0.0005   -0.0003   -0.0003
            Y     0.0009    0.0000   -0.0002    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0000    0.0003   -0.0004    0.0002
 AT.  53 O  X    -0.0055   -0.0014    0.0033   -0.0060   -0.0045   -0.0029
            Y    -0.0001   -0.0016    0.0097   -0.0105   -0.0007    0.0024
            Z    -0.0023    0.0178    0.0094    0.0162   -0.0015   -0.0092
 AT.  54 O  X    -0.0055    0.0014    0.0033   -0.0060   -0.0045    0.0029
            Y    -0.0001    0.0016    0.0097   -0.0105   -0.0007   -0.0024
            Z     0.0023    0.0178   -0.0094   -0.0162    0.0015   -0.0092
 AT.  55 O  X     0.0055   -0.0014   -0.0033   -0.0060   -0.0045    0.0029
            Y    -0.0001    0.0016    0.0097    0.0105    0.0007    0.0024
            Z    -0.0023   -0.0178    0.0094   -0.0162    0.0015   -0.0092
 AT.  56 O  X     0.0055    0.0014   -0.0033   -0.0060   -0.0045   -0.0029
            Y    -0.0001   -0.0016    0.0097    0.0105    0.0007   -0.0024
            Z     0.0023   -0.0178   -0.0094    0.0162   -0.0015   -0.0092
 AT.  57 O  X    -0.0055   -0.0014   -0.0033   -0.0060    0.0045   -0.0029
            Y    -0.0001   -0.0016   -0.0097   -0.0105    0.0007    0.0024
            Z    -0.0023    0.0178   -0.0094    0.0162    0.0015   -0.0092
 AT.  58 O  X    -0.0055    0.0014   -0.0033   -0.0060    0.0045    0.0029
            Y    -0.0001    0.0016   -0.0097   -0.0105    0.0007   -0.0024
            Z     0.0023    0.0178    0.0094   -0.0162   -0.0015   -0.0092
 AT.  59 O  X     0.0055   -0.0014    0.0033   -0.0060    0.0045    0.0029
            Y    -0.0001    0.0016   -0.0097    0.0105   -0.0007    0.0024
            Z    -0.0023   -0.0178   -0.0094   -0.0162   -0.0015   -0.0092
 AT.  60 O  X     0.0055    0.0014    0.0033   -0.0060    0.0045   -0.0029
            Y    -0.0001   -0.0016   -0.0097    0.0105   -0.0007   -0.0024
            Z     0.0023   -0.0178    0.0094    0.0162    0.0015   -0.0092
 AT.  61 O  X     0.0008    0.0048    0.0006    0.0049    0.0021   -0.0021
            Y     0.0011   -0.0093   -0.0136   -0.0005    0.0015    0.0038
            Z     0.0000   -0.0068    0.0058   -0.0138   -0.0013    0.0036
 AT.  62 O  X     0.0008   -0.0048    0.0006    0.0049    0.0021    0.0021
            Y     0.0011    0.0093   -0.0136   -0.0005    0.0015   -0.0038
            Z     0.0000   -0.0068   -0.0058    0.0138    0.0013    0.0036
 AT.  63 O  X    -0.0008    0.0048   -0.0006    0.0049    0.0021    0.0021
            Y     0.0011    0.0093   -0.0136    0.0005   -0.0015    0.0038
            Z     0.0000    0.0068    0.0058    0.0138    0.0013    0.0036
 AT.  64 O  X    -0.0008   -0.0048   -0.0006    0.0049    0.0021   -0.0021
            Y     0.0011   -0.0093   -0.0136    0.0005   -0.0015   -0.0038
            Z     0.0000    0.0068   -0.0058   -0.0138   -0.0013    0.0036
 AT.  65 O  X     0.0008    0.0048   -0.0006    0.0049   -0.0021   -0.0021
            Y     0.0011   -0.0093    0.0136   -0.0005   -0.0015    0.0038
            Z     0.0000   -0.0068   -0.0058   -0.0138    0.0013    0.0036
 AT.  66 O  X     0.0008   -0.0048   -0.0006    0.0049   -0.0021    0.0021
            Y     0.0011    0.0093    0.0136   -0.0005   -0.0015   -0.0038
            Z     0.0000   -0.0068    0.0058    0.0138   -0.0013    0.0036
 AT.  67 O  X    -0.0008    0.0048    0.0006    0.0049   -0.0021    0.0021
            Y     0.0011    0.0093    0.0136    0.0005    0.0015    0.0038
            Z     0.0000    0.0068   -0.0058    0.0138   -0.0013    0.0036
 AT.  68 O  X    -0.0008   -0.0048    0.0006    0.0049   -0.0021   -0.0021
            Y     0.0011   -0.0093    0.0136    0.0005    0.0015   -0.0038
            Z     0.0000    0.0068    0.0058   -0.0138    0.0013    0.0036
 AT.  69 O  X     0.0020   -0.0044   -0.0056    0.0003    0.0003    0.0036
            Y    -0.0006    0.0129   -0.0023    0.0193    0.0007   -0.0074
            Z     0.0013   -0.0032   -0.0087    0.0047    0.0021    0.0006
 AT.  70 O  X     0.0020    0.0044   -0.0056    0.0003    0.0003   -0.0036
            Y    -0.0006   -0.0129   -0.0023    0.0193    0.0007    0.0074
            Z    -0.0013   -0.0032    0.0087   -0.0047   -0.0021    0.0006
 AT.  71 O  X    -0.0020   -0.0044    0.0056    0.0003    0.0003   -0.0036
            Y    -0.0006   -0.0129   -0.0023   -0.0193   -0.0007   -0.0074
            Z     0.0013    0.0032   -0.0087   -0.0047   -0.0021    0.0006
 AT.  72 O  X    -0.0020    0.0044    0.0056    0.0003    0.0003    0.0036
            Y    -0.0006    0.0129   -0.0023   -0.0193   -0.0007    0.0074
            Z    -0.0013    0.0032    0.0087    0.0047    0.0021    0.0006
 AT.  73 O  X     0.0020   -0.0044    0.0056    0.0003   -0.0003    0.0036
            Y    -0.0006    0.0129    0.0023    0.0193   -0.0007   -0.0074
            Z     0.0013   -0.0032    0.0087    0.0047   -0.0021    0.0006
 AT.  74 O  X     0.0020    0.0044    0.0056    0.0003   -0.0003   -0.0036
            Y    -0.0006   -0.0129    0.0023    0.0193   -0.0007    0.0074
            Z    -0.0013   -0.0032   -0.0087   -0.0047    0.0021    0.0006
 AT.  75 O  X    -0.0020   -0.0044   -0.0056    0.0003   -0.0003   -0.0036
            Y    -0.0006   -0.0129    0.0023   -0.0193    0.0007   -0.0074
            Z     0.0013    0.0032    0.0087   -0.0047    0.0021    0.0006
 AT.  76 O  X    -0.0020    0.0044   -0.0056    0.0003   -0.0003    0.0036
            Y    -0.0006    0.0129    0.0023   -0.0193    0.0007    0.0074
            Z    -0.0013    0.0032   -0.0087    0.0047   -0.0021    0.0006
 AT.  77 O  X    -0.0003    0.0017    0.0016    0.0008   -0.0003   -0.0003
            Y     0.0018    0.0037   -0.0079    0.0117    0.0024   -0.0013
            Z     0.0002    0.0116    0.0056    0.0095    0.0011   -0.0059
 AT.  78 O  X    -0.0003   -0.0017    0.0016    0.0008   -0.0003    0.0003
            Y     0.0018   -0.0037   -0.0079    0.0117    0.0024    0.0013
            Z    -0.0002    0.0116   -0.0056   -0.0095   -0.0011   -0.0059
 AT.  79 O  X     0.0003    0.0017   -0.0016    0.0008   -0.0003    0.0003
            Y     0.0018   -0.0037   -0.0079   -0.0117   -0.0024   -0.0013
            Z     0.0002   -0.0116    0.0056   -0.0095   -0.0011   -0.0059
 AT.  80 O  X     0.0003   -0.0017   -0.0016    0.0008   -0.0003   -0.0003
            Y     0.0018    0.0037   -0.0079   -0.0117   -0.0024    0.0013
            Z    -0.0002   -0.0116   -0.0056    0.0095    0.0011   -0.0059
 AT.  81 O  X    -0.0003    0.0017   -0.0016    0.0008    0.0003   -0.0003
            Y     0.0018    0.0037    0.0079    0.0117   -0.0024   -0.0013
            Z     0.0002    0.0116   -0.0056    0.0095   -0.0011   -0.0059
 AT.  82 O  X    -0.0003   -0.0017   -0.0016    0.0008    0.0003    0.0003
            Y     0.0018   -0.0037    0.0079    0.0117   -0.0024    0.0013
            Z    -0.0002    0.0116    0.0056   -0.0095    0.0011   -0.0059
 AT.  83 O  X     0.0003    0.0017    0.0016    0.0008    0.0003    0.0003
            Y     0.0018   -0.0037    0.0079   -0.0117    0.0024   -0.0013
            Z     0.0002   -0.0116   -0.0056   -0.0095    0.0011   -0.0059
 AT.  84 O  X     0.0003   -0.0017    0.0016    0.0008    0.0003   -0.0003
            Y     0.0018    0.0037    0.0079   -0.0117    0.0024    0.0013
            Z    -0.0002   -0.0116    0.0056    0.0095   -0.0011   -0.0059
 AT.  85 O  X     0.0188   -0.0086   -0.0077   -0.0034    0.0158    0.0106
            Y     0.0059   -0.0095   -0.0125    0.0003   -0.0004    0.0031
            Z     0.0051   -0.0015   -0.0026   -0.0040    0.0145    0.0153
 AT.  86 O  X     0.0188    0.0086   -0.0077   -0.0034    0.0158   -0.0106
            Y     0.0059    0.0095   -0.0125    0.0003   -0.0004   -0.0031
            Z    -0.0051   -0.0015    0.0026    0.0040   -0.0145    0.0153
 AT.  87 O  X    -0.0188   -0.0086    0.0077   -0.0034    0.0158   -0.0106
            Y     0.0059    0.0095   -0.0125   -0.0003    0.0004    0.0031
            Z     0.0051    0.0015   -0.0026    0.0040   -0.0145    0.0153
 AT.  88 O  X    -0.0188    0.0086    0.0077   -0.0034    0.0158    0.0106
            Y     0.0059   -0.0095   -0.0125   -0.0003    0.0004   -0.0031
            Z    -0.0051    0.0015    0.0026   -0.0040    0.0145    0.0153
 AT.  89 O  X     0.0188   -0.0086    0.0077   -0.0034   -0.0158    0.0106
            Y     0.0059   -0.0095    0.0125    0.0003    0.0004    0.0031
            Z     0.0051   -0.0015    0.0026   -0.0040   -0.0145    0.0153
 AT.  90 O  X     0.0188    0.0086    0.0077   -0.0034   -0.0158   -0.0106
            Y     0.0059    0.0095    0.0125    0.0003    0.0004   -0.0031
            Z    -0.0051   -0.0015   -0.0026    0.0040    0.0145    0.0153
 AT.  91 O  X    -0.0188   -0.0086   -0.0077   -0.0034   -0.0158   -0.0106
            Y     0.0059    0.0095    0.0125   -0.0003   -0.0004    0.0031
            Z     0.0051    0.0015    0.0026    0.0040    0.0145    0.0153
 AT.  92 O  X    -0.0188    0.0086   -0.0077   -0.0034   -0.0158    0.0106
            Y     0.0059   -0.0095    0.0125   -0.0003   -0.0004   -0.0031
            Z    -0.0051    0.0015   -0.0026   -0.0040   -0.0145    0.0153
 AT.  93 O  X     0.0155   -0.0058   -0.0080   -0.0043    0.0182    0.0186
            Y    -0.0134    0.0119    0.0113    0.0049   -0.0073   -0.0054
            Z    -0.0005    0.0023    0.0077   -0.0030   -0.0013   -0.0077
 AT.  94 O  X     0.0155    0.0058   -0.0080   -0.0043    0.0182   -0.0186
            Y    -0.0134   -0.0119    0.0113    0.0049   -0.0073    0.0054
            Z     0.0005    0.0023   -0.0077    0.0030    0.0013   -0.0077
 AT.  95 O  X    -0.0155   -0.0058    0.0080   -0.0043    0.0182   -0.0186
            Y    -0.0134   -0.0119    0.0113   -0.0049    0.0073   -0.0054
            Z    -0.0005   -0.0023    0.0077    0.0030    0.0013   -0.0077
 AT.  96 O  X    -0.0155    0.0058    0.0080   -0.0043    0.0182    0.0186
            Y    -0.0134    0.0119    0.0113   -0.0049    0.0073    0.0054
            Z     0.0005   -0.0023   -0.0077   -0.0030   -0.0013   -0.0077
 AT.  97 O  X     0.0155   -0.0058    0.0080   -0.0043   -0.0182    0.0186
            Y    -0.0134    0.0119   -0.0113    0.0049    0.0073   -0.0054
            Z    -0.0005    0.0023   -0.0077   -0.0030    0.0013   -0.0077
 AT.  98 O  X     0.0155    0.0058    0.0080   -0.0043   -0.0182   -0.0186
            Y    -0.0134   -0.0119   -0.0113    0.0049    0.0073    0.0054
            Z     0.0005    0.0023    0.0077    0.0030   -0.0013   -0.0077
 AT.  99 O  X    -0.0155   -0.0058   -0.0080   -0.0043   -0.0182   -0.0186
            Y    -0.0134   -0.0119   -0.0113   -0.0049   -0.0073   -0.0054
            Z    -0.0005   -0.0023   -0.0077    0.0030   -0.0013   -0.0077
 AT. 100 O  X    -0.0155    0.0058   -0.0080   -0.0043   -0.0182    0.0186
            Y    -0.0134    0.0119   -0.0113   -0.0049   -0.0073    0.0054
            Z     0.0005   -0.0023    0.0077   -0.0030    0.0013   -0.0077
 AT. 101 O  X    -0.0212    0.0053    0.0059   -0.0014   -0.0049   -0.0036
            Y     0.0090   -0.0024    0.0009   -0.0038    0.0011   -0.0052
            Z     0.0026   -0.0055   -0.0051    0.0002   -0.0091   -0.0090
 AT. 102 O  X    -0.0212   -0.0053    0.0059   -0.0014   -0.0049    0.0036
            Y     0.0090    0.0024    0.0009   -0.0038    0.0011    0.0052
            Z    -0.0026   -0.0055    0.0051   -0.0002    0.0091   -0.0090
 AT. 103 O  X     0.0212    0.0053   -0.0059   -0.0014   -0.0049    0.0036
            Y     0.0090    0.0024    0.0009    0.0038   -0.0011   -0.0052
            Z     0.0026    0.0055   -0.0051   -0.0002    0.0091   -0.0090
 AT. 104 O  X     0.0212   -0.0053   -0.0059   -0.0014   -0.0049   -0.0036
            Y     0.0090   -0.0024    0.0009    0.0038   -0.0011    0.0052
            Z    -0.0026    0.0055    0.0051    0.0002   -0.0091   -0.0090
 AT. 105 O  X    -0.0212    0.0053   -0.0059   -0.0014    0.0049   -0.0036
            Y     0.0090   -0.0024   -0.0009   -0.0038   -0.0011   -0.0052
            Z     0.0026   -0.0055    0.0051    0.0002    0.0091   -0.0090
 AT. 106 O  X    -0.0212   -0.0053   -0.0059   -0.0014    0.0049    0.0036
            Y     0.0090    0.0024   -0.0009   -0.0038   -0.0011    0.0052
            Z    -0.0026   -0.0055   -0.0051   -0.0002   -0.0091   -0.0090
 AT. 107 O  X     0.0212    0.0053    0.0059   -0.0014    0.0049    0.0036
            Y     0.0090    0.0024   -0.0009    0.0038    0.0011   -0.0052
            Z     0.0026    0.0055    0.0051   -0.0002   -0.0091   -0.0090
 AT. 108 O  X     0.0212   -0.0053    0.0059   -0.0014    0.0049   -0.0036
            Y     0.0090   -0.0024   -0.0009    0.0038    0.0011    0.0052
            Z    -0.0026    0.0055   -0.0051    0.0002    0.0091   -0.0090
 AT. 109 O  X    -0.0109    0.0069    0.0072    0.0037   -0.0124   -0.0115
            Y    -0.0033   -0.0052   -0.0045    0.0017   -0.0100   -0.0101
            Z     0.0109   -0.0013    0.0016   -0.0018    0.0069    0.0008
 AT. 110 O  X    -0.0109   -0.0069    0.0072    0.0037   -0.0124    0.0115
            Y    -0.0033    0.0052   -0.0045    0.0017   -0.0100    0.0101
            Z    -0.0109   -0.0013   -0.0016    0.0018   -0.0069    0.0008
 AT. 111 O  X     0.0109    0.0069   -0.0072    0.0037   -0.0124    0.0115
            Y    -0.0033    0.0052   -0.0045   -0.0017    0.0100   -0.0101
            Z     0.0109    0.0013    0.0016    0.0018   -0.0069    0.0008
 AT. 112 O  X     0.0109   -0.0069   -0.0072    0.0037   -0.0124   -0.0115
            Y    -0.0033   -0.0052   -0.0045   -0.0017    0.0100    0.0101
            Z    -0.0109    0.0013   -0.0016   -0.0018    0.0069    0.0008
 AT. 113 O  X    -0.0109    0.0069   -0.0072    0.0037    0.0124   -0.0115
            Y    -0.0033   -0.0052    0.0045    0.0017    0.0100   -0.0101
            Z     0.0109   -0.0013   -0.0016   -0.0018   -0.0069    0.0008
 AT. 114 O  X    -0.0109   -0.0069   -0.0072    0.0037    0.0124    0.0115
            Y    -0.0033    0.0052    0.0045    0.0017    0.0100    0.0101
            Z    -0.0109   -0.0013    0.0016    0.0018    0.0069    0.0008
 AT. 115 O  X     0.0109    0.0069    0.0072    0.0037    0.0124    0.0115
            Y    -0.0033    0.0052    0.0045   -0.0017   -0.0100   -0.0101
            Z     0.0109    0.0013   -0.0016    0.0018    0.0069    0.0008
 AT. 116 O  X     0.0109   -0.0069    0.0072    0.0037    0.0124   -0.0115
            Y    -0.0033   -0.0052    0.0045   -0.0017   -0.0100    0.0101
            Z    -0.0109    0.0013    0.0016   -0.0018   -0.0069    0.0008
 AT. 117 O  X    -0.0006    0.0022    0.0055    0.0039   -0.0028   -0.0004
            Y     0.0045   -0.0064   -0.0111    0.0006    0.0053    0.0058
            Z    -0.0043    0.0008    0.0036   -0.0017    0.0036    0.0003
 AT. 118 O  X    -0.0006   -0.0022    0.0055    0.0039   -0.0028    0.0004
            Y     0.0045    0.0064   -0.0111    0.0006    0.0053   -0.0058
            Z     0.0043    0.0008   -0.0036    0.0017   -0.0036    0.0003
 AT. 119 O  X     0.0006    0.0022   -0.0055    0.0039   -0.0028    0.0004
            Y     0.0045    0.0064   -0.0111   -0.0006   -0.0053    0.0058
            Z    -0.0043   -0.0008    0.0036    0.0017   -0.0036    0.0003
 AT. 120 O  X     0.0006   -0.0022   -0.0055    0.0039   -0.0028   -0.0004
            Y     0.0045   -0.0064   -0.0111   -0.0006   -0.0053   -0.0058
            Z     0.0043   -0.0008   -0.0036   -0.0017    0.0036    0.0003
 AT. 121 O  X    -0.0006    0.0022   -0.0055    0.0039    0.0028   -0.0004
            Y     0.0045   -0.0064    0.0111    0.0006   -0.0053    0.0058
            Z    -0.0043    0.0008   -0.0036   -0.0017   -0.0036    0.0003
 AT. 122 O  X    -0.0006   -0.0022   -0.0055    0.0039    0.0028    0.0004
            Y     0.0045    0.0064    0.0111    0.0006   -0.0053   -0.0058
            Z     0.0043    0.0008    0.0036    0.0017    0.0036    0.0003
 AT. 123 O  X     0.0006    0.0022    0.0055    0.0039    0.0028    0.0004
            Y     0.0045    0.0064    0.0111   -0.0006    0.0053    0.0058
            Z    -0.0043   -0.0008   -0.0036    0.0017    0.0036    0.0003
 AT. 124 O  X     0.0006   -0.0022    0.0055    0.0039    0.0028   -0.0004
            Y     0.0045   -0.0064    0.0111   -0.0006    0.0053   -0.0058
            Z     0.0043   -0.0008    0.0036   -0.0017   -0.0036    0.0003

 FREQ(CM**-1)    511.57    511.86    512.42    516.37    516.60    519.14

 AT.   1 SI X     0.0008   -0.0010   -0.0015    0.0029   -0.0020    0.0004
            Y     0.0058   -0.0030   -0.0098    0.0014   -0.0009    0.0135
            Z     0.0009   -0.0001   -0.0035    0.0019    0.0005    0.0023
 AT.   2 SI X     0.0008    0.0010    0.0015    0.0029    0.0020    0.0004
            Y     0.0058    0.0030    0.0098    0.0014    0.0009    0.0135
            Z    -0.0009   -0.0001   -0.0035   -0.0019    0.0005   -0.0023
 AT.   3 SI X    -0.0008   -0.0010   -0.0015    0.0029    0.0020   -0.0004
            Y     0.0058    0.0030    0.0098   -0.0014   -0.0009    0.0135
            Z     0.0009    0.0001    0.0035   -0.0019    0.0005    0.0023
 AT.   4 SI X    -0.0008    0.0010    0.0015    0.0029   -0.0020   -0.0004
            Y     0.0058   -0.0030   -0.0098   -0.0014    0.0009    0.0135
            Z    -0.0009    0.0001    0.0035    0.0019    0.0005   -0.0023
 AT.   5 SI X     0.0008    0.0010   -0.0015    0.0029    0.0020    0.0004
            Y     0.0058    0.0030   -0.0098    0.0014    0.0009    0.0135
            Z     0.0009    0.0001   -0.0035    0.0019   -0.0005    0.0023
 AT.   6 SI X     0.0008   -0.0010    0.0015    0.0029   -0.0020    0.0004
            Y     0.0058   -0.0030    0.0098    0.0014   -0.0009    0.0135
            Z    -0.0009    0.0001   -0.0035   -0.0019   -0.0005   -0.0023
 AT.   7 SI X    -0.0008    0.0010   -0.0015    0.0029   -0.0020   -0.0004
            Y     0.0058   -0.0030    0.0098   -0.0014    0.0009    0.0135
            Z     0.0009   -0.0001    0.0035   -0.0019   -0.0005    0.0023
 AT.   8 SI X    -0.0008   -0.0010    0.0015    0.0029    0.0020   -0.0004
            Y     0.0058    0.0030   -0.0098   -0.0014   -0.0009    0.0135
            Z    -0.0009   -0.0001    0.0035    0.0019   -0.0005   -0.0023
 AT.   9 SI X    -0.0010    0.0009   -0.0032    0.0094   -0.0104    0.0003
            Y     0.0129   -0.0134   -0.0017   -0.0059    0.0052   -0.0031
            Z    -0.0017    0.0019    0.0066   -0.0048    0.0045    0.0010
 AT.  10 SI X    -0.0010   -0.0009    0.0032    0.0094    0.0104    0.0003
            Y     0.0129    0.0134    0.0017   -0.0059   -0.0052   -0.0031
            Z     0.0017    0.0019    0.0066    0.0048    0.0045   -0.0010
 AT.  11 SI X     0.0010    0.0009   -0.0032    0.0094    0.0104   -0.0003
            Y     0.0129    0.0134    0.0017    0.0059    0.0052   -0.0031
            Z    -0.0017   -0.0019   -0.0066    0.0048    0.0045    0.0010
 AT.  12 SI X     0.0010   -0.0009    0.0032    0.0094   -0.0104   -0.0003
            Y     0.0129   -0.0134   -0.0017    0.0059   -0.0052   -0.0031
            Z     0.0017   -0.0019   -0.0066   -0.0048    0.0045   -0.0010
 AT.  13 SI X    -0.0010   -0.0009   -0.0032    0.0094    0.0104    0.0003
            Y     0.0129    0.0134   -0.0017   -0.0059   -0.0052   -0.0031
            Z    -0.0017   -0.0019    0.0066   -0.0048   -0.0045    0.0010
 AT.  14 SI X    -0.0010    0.0009    0.0032    0.0094   -0.0104    0.0003
            Y     0.0129   -0.0134    0.0017   -0.0059    0.0052   -0.0031
            Z     0.0017   -0.0019    0.0066    0.0048   -0.0045   -0.0010
 AT.  15 SI X     0.0010   -0.0009   -0.0032    0.0094   -0.0104   -0.0003
            Y     0.0129   -0.0134    0.0017    0.0059   -0.0052   -0.0031
            Z    -0.0017    0.0019   -0.0066    0.0048   -0.0045    0.0010
 AT.  16 SI X     0.0010    0.0009    0.0032    0.0094    0.0104   -0.0003
            Y     0.0129    0.0134   -0.0017    0.0059    0.0052   -0.0031
            Z     0.0017    0.0019   -0.0066   -0.0048   -0.0045   -0.0010
 AT.  17 SI X     0.0000    0.0000    0.0000   -0.0027    0.0040    0.0000
            Y     0.0059   -0.0062   -0.0027    0.0000    0.0000   -0.0022
            Z     0.0000    0.0000    0.0000   -0.0005   -0.0020    0.0000
 AT.  18 SI X     0.0000    0.0000    0.0000   -0.0027   -0.0040    0.0000
            Y     0.0059    0.0062    0.0027    0.0000    0.0000   -0.0022
            Z     0.0000    0.0000    0.0000    0.0005   -0.0020    0.0000
 AT.  19 SI X     0.0000    0.0000    0.0000   -0.0027   -0.0040    0.0000
            Y     0.0059    0.0062   -0.0027    0.0000    0.0000   -0.0022
            Z     0.0000    0.0000    0.0000   -0.0005    0.0020    0.0000
 AT.  20 SI X     0.0000    0.0000    0.0000   -0.0027    0.0040    0.0000
            Y     0.0059   -0.0062    0.0027    0.0000    0.0000   -0.0022
            Z     0.0000    0.0000    0.0000    0.0005    0.0020    0.0000
 AT.  21 CA X     0.0000    0.0000   -0.0008    0.0008   -0.0005   -0.0003
            Y    -0.0010    0.0005    0.0002    0.0004    0.0000   -0.0027
            Z    -0.0016    0.0023   -0.0020    0.0017   -0.0020    0.0032
 AT.  22 CA X     0.0000    0.0000    0.0008    0.0008    0.0005   -0.0003
            Y    -0.0010   -0.0005   -0.0002    0.0004    0.0000   -0.0027
            Z     0.0016    0.0023   -0.0020   -0.0017   -0.0020   -0.0032
 AT.  23 CA X     0.0000    0.0000   -0.0008    0.0008    0.0005    0.0003
            Y    -0.0010   -0.0005   -0.0002   -0.0004    0.0000   -0.0027
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            Y     0.0002    0.0000    0.0039   -0.0002    0.0000    0.0019
            Z    -0.0010    0.0000   -0.0002   -0.0003    0.0000    0.0034
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            Z     0.0010    0.0000   -0.0002    0.0003    0.0000   -0.0034
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            Y     0.0011   -0.0008   -0.0015   -0.0017    0.0019    0.0010
            Z    -0.0017    0.0018   -0.0003   -0.0010    0.0008    0.0012
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 AT.  75 O  X     0.0028   -0.0029    0.0057   -0.0031    0.0036   -0.0029
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 AT.  79 O  X    -0.0009   -0.0010   -0.0016    0.0036    0.0025    0.0000
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 AT.  83 O  X    -0.0009    0.0010   -0.0016    0.0036   -0.0025    0.0000
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 AT.  86 O  X     0.0024    0.0022   -0.0044   -0.0058   -0.0071    0.0002
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 AT.  89 O  X     0.0024    0.0022    0.0044   -0.0058   -0.0071    0.0002
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 AT.  98 O  X     0.0057   -0.0060   -0.0061   -0.0200    0.0207   -0.0016
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 AT.  99 O  X    -0.0057    0.0060    0.0061   -0.0200    0.0207    0.0016
            Y     0.0096   -0.0101    0.0044   -0.0016    0.0033   -0.0021
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            Y     0.0096    0.0101   -0.0044   -0.0016   -0.0033   -0.0021
            Z    -0.0052   -0.0051    0.0064    0.0115    0.0104    0.0010
 AT. 101 O  X    -0.0054    0.0049   -0.0050    0.0048   -0.0041    0.0004
            Y    -0.0082    0.0088   -0.0026    0.0121   -0.0103    0.0026
            Z    -0.0183    0.0189    0.0012    0.0105   -0.0102    0.0048
 AT. 102 O  X    -0.0054   -0.0049    0.0050    0.0048    0.0041    0.0004
            Y    -0.0082   -0.0088    0.0026    0.0121    0.0103    0.0026
            Z     0.0183    0.0189    0.0012   -0.0105   -0.0102   -0.0048
 AT. 103 O  X     0.0054    0.0049   -0.0050    0.0048    0.0041   -0.0004
            Y    -0.0082   -0.0088    0.0026   -0.0121   -0.0103    0.0026
            Z    -0.0183   -0.0189   -0.0012   -0.0105   -0.0102    0.0048
 AT. 104 O  X     0.0054   -0.0049    0.0050    0.0048   -0.0041   -0.0004
            Y    -0.0082    0.0088   -0.0026   -0.0121    0.0103    0.0026
            Z     0.0183   -0.0189   -0.0012    0.0105   -0.0102   -0.0048
 AT. 105 O  X    -0.0054   -0.0049   -0.0050    0.0048    0.0041    0.0004
            Y    -0.0082   -0.0088   -0.0026    0.0121    0.0103    0.0026
            Z    -0.0183   -0.0189    0.0012    0.0105    0.0102    0.0048
 AT. 106 O  X    -0.0054    0.0049    0.0050    0.0048   -0.0041    0.0004
            Y    -0.0082    0.0088    0.0026    0.0121   -0.0103    0.0026
            Z     0.0183   -0.0189    0.0012   -0.0105    0.0102   -0.0048
 AT. 107 O  X     0.0054   -0.0049   -0.0050    0.0048   -0.0041   -0.0004
            Y    -0.0082    0.0088    0.0026   -0.0121    0.0103    0.0026
            Z    -0.0183    0.0189   -0.0012   -0.0105    0.0102    0.0048
 AT. 108 O  X     0.0054    0.0049    0.0050    0.0048    0.0041   -0.0004
            Y    -0.0082   -0.0088   -0.0026   -0.0121   -0.0103    0.0026
            Z     0.0183    0.0189   -0.0012    0.0105    0.0102   -0.0048
 AT. 109 O  X     0.0003   -0.0004   -0.0039    0.0094   -0.0104   -0.0001
            Y    -0.0148    0.0153    0.0004    0.0129   -0.0126    0.0038
            Z     0.0052   -0.0049   -0.0017    0.0027   -0.0022   -0.0002
 AT. 110 O  X     0.0003    0.0004    0.0039    0.0094    0.0104   -0.0001
            Y    -0.0148   -0.0153   -0.0004    0.0129    0.0126    0.0038
            Z    -0.0052   -0.0049   -0.0017   -0.0027   -0.0022    0.0002
 AT. 111 O  X    -0.0003   -0.0004   -0.0039    0.0094    0.0104    0.0001
            Y    -0.0148   -0.0153   -0.0004   -0.0129   -0.0126    0.0038
            Z     0.0052    0.0049    0.0017   -0.0027   -0.0022   -0.0002
 AT. 112 O  X    -0.0003    0.0004    0.0039    0.0094   -0.0104    0.0001
            Y    -0.0148    0.0153    0.0004   -0.0129    0.0126    0.0038
            Z    -0.0052    0.0049    0.0017    0.0027   -0.0022    0.0002
 AT. 113 O  X     0.0003    0.0004   -0.0039    0.0094    0.0104   -0.0001
            Y    -0.0148   -0.0153    0.0004    0.0129    0.0126    0.0038
            Z     0.0052    0.0049   -0.0017    0.0027    0.0022   -0.0002
 AT. 114 O  X     0.0003   -0.0004    0.0039    0.0094   -0.0104   -0.0001
            Y    -0.0148    0.0153   -0.0004    0.0129   -0.0126    0.0038
            Z    -0.0052    0.0049   -0.0017   -0.0027    0.0022    0.0002
 AT. 115 O  X    -0.0003    0.0004   -0.0039    0.0094   -0.0104    0.0001
            Y    -0.0148    0.0153   -0.0004   -0.0129    0.0126    0.0038
            Z     0.0052   -0.0049    0.0017   -0.0027    0.0022   -0.0002
 AT. 116 O  X    -0.0003   -0.0004    0.0039    0.0094    0.0104    0.0001
            Y    -0.0148   -0.0153    0.0004   -0.0129   -0.0126    0.0038
            Z    -0.0052   -0.0049    0.0017    0.0027    0.0022    0.0002
 AT. 117 O  X     0.0042   -0.0044   -0.0048   -0.0016    0.0002   -0.0014
            Y     0.0013   -0.0011    0.0089   -0.0088    0.0080    0.0001
            Z    -0.0016    0.0015   -0.0041    0.0028   -0.0021   -0.0003
 AT. 118 O  X     0.0042    0.0044    0.0048   -0.0016   -0.0002   -0.0014
            Y     0.0013    0.0011   -0.0089   -0.0088   -0.0080    0.0001
            Z     0.0016    0.0015   -0.0041   -0.0028   -0.0021    0.0003
 AT. 119 O  X    -0.0042   -0.0044   -0.0048   -0.0016   -0.0002    0.0014
            Y     0.0013    0.0011   -0.0089    0.0088    0.0080    0.0001
            Z    -0.0016   -0.0015    0.0041   -0.0028   -0.0021   -0.0003
 AT. 120 O  X    -0.0042    0.0044    0.0048   -0.0016    0.0002    0.0014
            Y     0.0013   -0.0011    0.0089    0.0088   -0.0080    0.0001
            Z     0.0016   -0.0015    0.0041    0.0028   -0.0021    0.0003
 AT. 121 O  X     0.0042    0.0044   -0.0048   -0.0016   -0.0002   -0.0014
            Y     0.0013    0.0011    0.0089   -0.0088   -0.0080    0.0001
            Z    -0.0016   -0.0015   -0.0041    0.0028    0.0021   -0.0003
 AT. 122 O  X     0.0042   -0.0044    0.0048   -0.0016    0.0002   -0.0014
            Y     0.0013   -0.0011   -0.0089   -0.0088    0.0080    0.0001
            Z     0.0016   -0.0015   -0.0041   -0.0028    0.0021    0.0003
 AT. 123 O  X    -0.0042    0.0044   -0.0048   -0.0016    0.0002    0.0014
            Y     0.0013   -0.0011   -0.0089    0.0088   -0.0080    0.0001
            Z    -0.0016    0.0015    0.0041   -0.0028    0.0021   -0.0003
 AT. 124 O  X    -0.0042   -0.0044    0.0048   -0.0016   -0.0002    0.0014
            Y     0.0013    0.0011    0.0089    0.0088    0.0080    0.0001
            Z     0.0016    0.0015    0.0041    0.0028    0.0021    0.0003

 FREQ(CM**-1)    519.78    522.26    523.00    529.86    530.88    531.14

 AT.   1 SI X    -0.0011    0.0020   -0.0009   -0.0011    0.0007   -0.0019
            Y    -0.0145   -0.0017    0.0013   -0.0063    0.0069   -0.0104
            Z    -0.0001    0.0010   -0.0023    0.0050   -0.0075    0.0009
 AT.   2 SI X     0.0011   -0.0020   -0.0009   -0.0011   -0.0007   -0.0019
            Y     0.0145    0.0017    0.0013   -0.0063   -0.0069   -0.0104
            Z    -0.0001    0.0010    0.0023   -0.0050   -0.0075   -0.0009
 AT.   3 SI X     0.0011    0.0020    0.0009   -0.0011   -0.0007   -0.0019
            Y    -0.0145    0.0017    0.0013    0.0063    0.0069    0.0104
            Z    -0.0001   -0.0010   -0.0023   -0.0050   -0.0075   -0.0009
 AT.   4 SI X    -0.0011   -0.0020    0.0009   -0.0011    0.0007   -0.0019
            Y     0.0145   -0.0017    0.0013    0.0063   -0.0069    0.0104
            Z    -0.0001   -0.0010    0.0023    0.0050   -0.0075    0.0009
 AT.   5 SI X    -0.0011    0.0020    0.0009   -0.0011   -0.0007    0.0019
            Y    -0.0145   -0.0017   -0.0013   -0.0063   -0.0069    0.0104
            Z    -0.0001    0.0010    0.0023    0.0050    0.0075   -0.0009
 AT.   6 SI X     0.0011   -0.0020    0.0009   -0.0011    0.0007    0.0019
            Y     0.0145    0.0017   -0.0013   -0.0063    0.0069    0.0104
            Z    -0.0001    0.0010   -0.0023   -0.0050    0.0075    0.0009
 AT.   7 SI X     0.0011    0.0020   -0.0009   -0.0011    0.0007    0.0019
            Y    -0.0145    0.0017   -0.0013    0.0063   -0.0069   -0.0104
            Z    -0.0001   -0.0010    0.0023   -0.0050    0.0075    0.0009
 AT.   8 SI X    -0.0011   -0.0020   -0.0009   -0.0011   -0.0007    0.0019
            Y     0.0145   -0.0017   -0.0013    0.0063    0.0069   -0.0104
            Z    -0.0001   -0.0010   -0.0023    0.0050    0.0075   -0.0009
 AT.   9 SI X    -0.0016    0.0027   -0.0026   -0.0044    0.0038   -0.0003
            Y     0.0004   -0.0064    0.0068   -0.0030    0.0042   -0.0002
            Z     0.0026   -0.0049    0.0048    0.0017   -0.0015    0.0044
 AT.  10 SI X     0.0016   -0.0027   -0.0026   -0.0044   -0.0038   -0.0003
            Y    -0.0004    0.0064    0.0068   -0.0030   -0.0042   -0.0002
            Z     0.0026   -0.0049   -0.0048   -0.0017   -0.0015   -0.0044
 AT.  11 SI X     0.0016    0.0027    0.0026   -0.0044   -0.0038   -0.0003
            Y     0.0004    0.0064    0.0068    0.0030    0.0042    0.0002
            Z     0.0026    0.0049    0.0048   -0.0017   -0.0015   -0.0044
 AT.  12 SI X    -0.0016   -0.0027    0.0026   -0.0044    0.0038   -0.0003
            Y    -0.0004   -0.0064    0.0068    0.0030   -0.0042    0.0002
            Z     0.0026    0.0049   -0.0048    0.0017   -0.0015    0.0044
 AT.  13 SI X    -0.0016    0.0027    0.0026   -0.0044   -0.0038    0.0003
            Y     0.0004   -0.0064   -0.0068   -0.0030   -0.0042    0.0002
            Z     0.0026   -0.0049   -0.0048    0.0017    0.0015   -0.0044
 AT.  14 SI X     0.0016   -0.0027    0.0026   -0.0044    0.0038    0.0003
            Y    -0.0004    0.0064   -0.0068   -0.0030    0.0042    0.0002
            Z     0.0026   -0.0049    0.0048   -0.0017    0.0015    0.0044
 AT.  15 SI X     0.0016    0.0027   -0.0026   -0.0044    0.0038    0.0003
            Y     0.0004    0.0064   -0.0068    0.0030   -0.0042   -0.0002
            Z     0.0026    0.0049   -0.0048   -0.0017    0.0015    0.0044
 AT.  16 SI X    -0.0016   -0.0027   -0.0026   -0.0044   -0.0038    0.0003
            Y    -0.0004   -0.0064   -0.0068    0.0030    0.0042   -0.0002
            Z     0.0026    0.0049    0.0048    0.0017    0.0015   -0.0044
 AT.  17 SI X    -0.0007    0.0000    0.0000    0.0054   -0.0054   -0.0044
            Y     0.0000    0.0021   -0.0022    0.0000    0.0000    0.0000
            Z    -0.0004    0.0000    0.0000   -0.0107    0.0118    0.0012
 AT.  18 SI X     0.0007    0.0000    0.0000    0.0054    0.0054   -0.0044
            Y     0.0000   -0.0021   -0.0022    0.0000    0.0000    0.0000
            Z    -0.0004    0.0000    0.0000    0.0107    0.0118   -0.0012
 AT.  19 SI X    -0.0007    0.0000    0.0000    0.0054    0.0054    0.0044
            Y     0.0000    0.0021    0.0022    0.0000    0.0000    0.0000
            Z    -0.0004    0.0000    0.0000   -0.0107   -0.0118   -0.0012
 AT.  20 SI X     0.0007    0.0000    0.0000    0.0054   -0.0054    0.0044
            Y     0.0000   -0.0021    0.0022    0.0000    0.0000    0.0000
            Z    -0.0004    0.0000    0.0000    0.0107   -0.0118    0.0012
 AT.  21 CA X     0.0001    0.0004   -0.0001   -0.0002    0.0006   -0.0004
            Y     0.0027    0.0002   -0.0001    0.0020   -0.0016    0.0016
            Z    -0.0025    0.0011   -0.0023   -0.0018   -0.0012    0.0020
 AT.  22 CA X    -0.0001   -0.0004   -0.0001   -0.0002   -0.0006   -0.0004
            Y    -0.0027   -0.0002   -0.0001    0.0020    0.0016    0.0016
            Z    -0.0025    0.0011    0.0023    0.0018   -0.0012   -0.0020
 AT.  23 CA X    -0.0001    0.0004    0.0001   -0.0002   -0.0006   -0.0004
            Y     0.0027   -0.0002   -0.0001   -0.0020   -0.0016   -0.0016
            Z    -0.0025   -0.0011   -0.0023    0.0018   -0.0012   -0.0020
 AT.  24 CA X     0.0001   -0.0004    0.0001   -0.0002    0.0006   -0.0004
            Y    -0.0027    0.0002   -0.0001   -0.0020    0.0016   -0.0016
            Z    -0.0025   -0.0011    0.0023   -0.0018   -0.0012    0.0020
 AT.  25 CA X     0.0001    0.0004    0.0001   -0.0002   -0.0006    0.0004
            Y     0.0027    0.0002    0.0001    0.0020    0.0016   -0.0016
            Z    -0.0025    0.0011    0.0023   -0.0018    0.0012   -0.0020
 AT.  26 CA X    -0.0001   -0.0004    0.0001   -0.0002    0.0006    0.0004
            Y    -0.0027   -0.0002    0.0001    0.0020   -0.0016   -0.0016
            Z    -0.0025    0.0011   -0.0023    0.0018    0.0012    0.0020
 AT.  27 CA X    -0.0001    0.0004   -0.0001   -0.0002    0.0006    0.0004
            Y     0.0027   -0.0002    0.0001   -0.0020    0.0016    0.0016
            Z    -0.0025   -0.0011    0.0023    0.0018    0.0012    0.0020
 AT.  28 CA X     0.0001   -0.0004   -0.0001   -0.0002   -0.0006    0.0004
            Y    -0.0027    0.0002    0.0001   -0.0020   -0.0016    0.0016
            Z    -0.0025   -0.0011   -0.0023   -0.0018    0.0012   -0.0020
 AT.  29 CA X     0.0004   -0.0003    0.0000    0.0010    0.0000    0.0000
            Y    -0.0020   -0.0017    0.0000   -0.0030    0.0000    0.0000
            Z    -0.0016    0.0001    0.0000    0.0029    0.0000    0.0000
 AT.  30 CA X    -0.0004    0.0003    0.0000    0.0010    0.0000    0.0000
            Y     0.0020    0.0017    0.0000   -0.0030    0.0000    0.0000
            Z    -0.0016    0.0001    0.0000   -0.0029    0.0000    0.0000
 AT.  31 CA X    -0.0004   -0.0003    0.0000    0.0010    0.0000    0.0000
            Y    -0.0020    0.0017    0.0000    0.0030    0.0000    0.0000
            Z    -0.0016   -0.0001    0.0000   -0.0029    0.0000    0.0000
 AT.  32 CA X     0.0004    0.0003    0.0000    0.0010    0.0000    0.0000
            Y     0.0020   -0.0017    0.0000    0.0030    0.0000    0.0000
            Z    -0.0016   -0.0001    0.0000    0.0029    0.0000    0.0000
 AT.  33 CA X     0.0003    0.0003   -0.0005    0.0013   -0.0014   -0.0003
            Y    -0.0010   -0.0032    0.0029   -0.0015    0.0015   -0.0010
            Z     0.0006   -0.0004    0.0006   -0.0003    0.0006    0.0033
 AT.  34 CA X    -0.0003   -0.0003   -0.0005    0.0013    0.0014   -0.0003
            Y     0.0010    0.0032    0.0029   -0.0015   -0.0015   -0.0010
            Z     0.0006   -0.0004   -0.0006    0.0003    0.0006   -0.0033
 AT.  35 CA X    -0.0003    0.0003    0.0005    0.0013    0.0014   -0.0003
            Y    -0.0010    0.0032    0.0029    0.0015    0.0015    0.0010
            Z     0.0006    0.0004    0.0006    0.0003    0.0006   -0.0033
 AT.  36 CA X     0.0003   -0.0003    0.0005    0.0013   -0.0014   -0.0003
            Y     0.0010   -0.0032    0.0029    0.0015   -0.0015    0.0010
            Z     0.0006    0.0004   -0.0006   -0.0003    0.0006    0.0033
 AT.  37 CA X     0.0003    0.0003    0.0005    0.0013    0.0014    0.0003
            Y    -0.0010   -0.0032   -0.0029   -0.0015   -0.0015    0.0010
            Z     0.0006   -0.0004   -0.0006   -0.0003   -0.0006   -0.0033
 AT.  38 CA X    -0.0003   -0.0003    0.0005    0.0013   -0.0014    0.0003
            Y     0.0010    0.0032   -0.0029   -0.0015    0.0015    0.0010
            Z     0.0006   -0.0004    0.0006    0.0003   -0.0006    0.0033
 AT.  39 CA X    -0.0003    0.0003   -0.0005    0.0013   -0.0014    0.0003
            Y    -0.0010    0.0032   -0.0029    0.0015   -0.0015   -0.0010
            Z     0.0006    0.0004   -0.0006    0.0003   -0.0006    0.0033
 AT.  40 CA X     0.0003   -0.0003   -0.0005    0.0013    0.0014    0.0003
            Y     0.0010   -0.0032   -0.0029    0.0015    0.0015   -0.0010
            Z     0.0006    0.0004    0.0006   -0.0003   -0.0006   -0.0033
 AT.  41 CA X    -0.0003   -0.0012    0.0014   -0.0003    0.0005   -0.0006
            Y     0.0001   -0.0002    0.0002   -0.0006    0.0007   -0.0002
            Z     0.0030    0.0013   -0.0008   -0.0002    0.0005    0.0040
 AT.  42 CA X     0.0003    0.0012    0.0014   -0.0003   -0.0005   -0.0006
            Y    -0.0001    0.0002    0.0002   -0.0006   -0.0007   -0.0002
            Z     0.0030    0.0013    0.0008    0.0002    0.0005   -0.0040
 AT.  43 CA X     0.0003   -0.0012   -0.0014   -0.0003   -0.0005   -0.0006
            Y     0.0001    0.0002    0.0002    0.0006    0.0007    0.0002
            Z     0.0030   -0.0013   -0.0008    0.0002    0.0005   -0.0040
 AT.  44 CA X    -0.0003    0.0012   -0.0014   -0.0003    0.0005   -0.0006
            Y    -0.0001   -0.0002    0.0002    0.0006   -0.0007    0.0002
            Z     0.0030   -0.0013    0.0008   -0.0002    0.0005    0.0040
 AT.  45 CA X    -0.0003   -0.0012   -0.0014   -0.0003   -0.0005    0.0006
            Y     0.0001   -0.0002   -0.0002   -0.0006   -0.0007    0.0002
            Z     0.0030    0.0013    0.0008   -0.0002   -0.0005   -0.0040
 AT.  46 CA X     0.0003    0.0012   -0.0014   -0.0003    0.0005    0.0006
            Y    -0.0001    0.0002   -0.0002   -0.0006    0.0007    0.0002
            Z     0.0030    0.0013   -0.0008    0.0002   -0.0005    0.0040
 AT.  47 CA X     0.0003   -0.0012    0.0014   -0.0003    0.0005    0.0006
            Y     0.0001    0.0002   -0.0002    0.0006   -0.0007   -0.0002
            Z     0.0030   -0.0013    0.0008    0.0002   -0.0005    0.0040
 AT.  48 CA X    -0.0003    0.0012    0.0014   -0.0003   -0.0005    0.0006
            Y    -0.0001   -0.0002   -0.0002    0.0006    0.0007   -0.0002
            Z     0.0030   -0.0013   -0.0008   -0.0002   -0.0005   -0.0040
 AT.  49 CA X     0.0002    0.0000    0.0000    0.0002   -0.0001    0.0003
            Y     0.0000   -0.0036    0.0038    0.0000    0.0000    0.0000
            Z     0.0006    0.0000    0.0000   -0.0001    0.0000    0.0015
 AT.  50 CA X    -0.0002    0.0000    0.0000    0.0002    0.0001    0.0003
            Y     0.0000    0.0036    0.0038    0.0000    0.0000    0.0000
            Z     0.0006    0.0000    0.0000    0.0001    0.0000   -0.0015
 AT.  51 CA X     0.0002    0.0000    0.0000    0.0002    0.0001   -0.0003
            Y     0.0000   -0.0036   -0.0038    0.0000    0.0000    0.0000
            Z     0.0006    0.0000    0.0000   -0.0001    0.0000   -0.0015
 AT.  52 CA X    -0.0002    0.0000    0.0000    0.0002   -0.0001   -0.0003
            Y     0.0000    0.0036   -0.0038    0.0000    0.0000    0.0000
            Z     0.0006    0.0000    0.0000    0.0001    0.0000    0.0015
 AT.  53 O  X    -0.0025   -0.0057    0.0036   -0.0065    0.0048   -0.0008
            Y    -0.0155   -0.0032    0.0027   -0.0116    0.0105   -0.0125
            Z     0.0046   -0.0013    0.0018   -0.0111    0.0117   -0.0061
 AT.  54 O  X     0.0025    0.0057    0.0036   -0.0065   -0.0048   -0.0008
            Y     0.0155    0.0032    0.0027   -0.0116   -0.0105   -0.0125
            Z     0.0046   -0.0013   -0.0018    0.0111    0.0117    0.0061
 AT.  55 O  X     0.0025   -0.0057   -0.0036   -0.0065   -0.0048   -0.0008
            Y    -0.0155    0.0032    0.0027    0.0116    0.0105    0.0125
            Z     0.0046    0.0013    0.0018    0.0111    0.0117    0.0061
 AT.  56 O  X    -0.0025    0.0057   -0.0036   -0.0065    0.0048   -0.0008
            Y     0.0155   -0.0032    0.0027    0.0116   -0.0105    0.0125
            Z     0.0046    0.0013   -0.0018   -0.0111    0.0117   -0.0061
 AT.  57 O  X    -0.0025   -0.0057   -0.0036   -0.0065   -0.0048    0.0008
            Y    -0.0155   -0.0032   -0.0027   -0.0116   -0.0105    0.0125
            Z     0.0046   -0.0013   -0.0018   -0.0111   -0.0117    0.0061
 AT.  58 O  X     0.0025    0.0057   -0.0036   -0.0065    0.0048    0.0008
            Y     0.0155    0.0032   -0.0027   -0.0116    0.0105    0.0125
            Z     0.0046   -0.0013    0.0018    0.0111   -0.0117   -0.0061
 AT.  59 O  X     0.0025   -0.0057    0.0036   -0.0065    0.0048    0.0008
            Y    -0.0155    0.0032   -0.0027    0.0116   -0.0105   -0.0125
            Z     0.0046    0.0013   -0.0018    0.0111   -0.0117   -0.0061
 AT.  60 O  X    -0.0025    0.0057    0.0036   -0.0065   -0.0048    0.0008
            Y     0.0155   -0.0032   -0.0027    0.0116    0.0105   -0.0125
            Z     0.0046    0.0013    0.0018   -0.0111   -0.0117    0.0061
 AT.  61 O  X     0.0041    0.0009   -0.0026    0.0000   -0.0006   -0.0013
            Y     0.0114    0.0036   -0.0029    0.0174   -0.0164    0.0153
            Z    -0.0153   -0.0061    0.0034   -0.0098    0.0085   -0.0108
 AT.  62 O  X    -0.0041   -0.0009   -0.0026    0.0000    0.0006   -0.0013
            Y    -0.0114   -0.0036   -0.0029    0.0174    0.0164    0.0153
            Z    -0.0153   -0.0061   -0.0034    0.0098    0.0085    0.0108
 AT.  63 O  X    -0.0041    0.0009    0.0026    0.0000    0.0006   -0.0013
            Y     0.0114   -0.0036   -0.0029   -0.0174   -0.0164   -0.0153
            Z    -0.0153    0.0061    0.0034    0.0098    0.0085    0.0108
 AT.  64 O  X     0.0041   -0.0009    0.0026    0.0000   -0.0006   -0.0013
            Y    -0.0114    0.0036   -0.0029   -0.0174    0.0164   -0.0153
            Z    -0.0153    0.0061   -0.0034   -0.0098    0.0085   -0.0108
 AT.  65 O  X     0.0041    0.0009    0.0026    0.0000    0.0006    0.0013
            Y     0.0114    0.0036    0.0029    0.0174    0.0164   -0.0153
            Z    -0.0153   -0.0061   -0.0034   -0.0098   -0.0085    0.0108
 AT.  66 O  X    -0.0041   -0.0009    0.0026    0.0000   -0.0006    0.0013
            Y    -0.0114   -0.0036    0.0029    0.0174   -0.0164   -0.0153
            Z    -0.0153   -0.0061    0.0034    0.0098   -0.0085   -0.0108
 AT.  67 O  X    -0.0041    0.0009   -0.0026    0.0000   -0.0006    0.0013
            Y     0.0114   -0.0036    0.0029   -0.0174    0.0164    0.0153
            Z    -0.0153    0.0061   -0.0034    0.0098   -0.0085   -0.0108
 AT.  68 O  X     0.0041   -0.0009   -0.0026    0.0000    0.0006    0.0013
            Y    -0.0114    0.0036    0.0029   -0.0174   -0.0164    0.0153
            Z    -0.0153    0.0061    0.0034   -0.0098   -0.0085    0.0108
 AT.  69 O  X     0.0005   -0.0004    0.0015    0.0064   -0.0044    0.0062
            Y     0.0153    0.0029   -0.0018    0.0029   -0.0027    0.0076
            Z     0.0110    0.0054   -0.0037    0.0130   -0.0115    0.0112
 AT.  70 O  X    -0.0005    0.0004    0.0015    0.0064    0.0044    0.0062
            Y    -0.0153   -0.0029   -0.0018    0.0029    0.0027    0.0076
            Z     0.0110    0.0054    0.0037   -0.0130   -0.0115   -0.0112
 AT.  71 O  X    -0.0005   -0.0004   -0.0015    0.0064    0.0044    0.0062
            Y     0.0153   -0.0029   -0.0018   -0.0029   -0.0027   -0.0076
            Z     0.0110   -0.0054   -0.0037   -0.0130   -0.0115   -0.0112
 AT.  72 O  X     0.0005    0.0004   -0.0015    0.0064   -0.0044    0.0062
            Y    -0.0153    0.0029   -0.0018   -0.0029    0.0027   -0.0076
            Z     0.0110   -0.0054    0.0037    0.0130   -0.0115    0.0112
 AT.  73 O  X     0.0005   -0.0004   -0.0015    0.0064    0.0044   -0.0062
            Y     0.0153    0.0029    0.0018    0.0029    0.0027   -0.0076
            Z     0.0110    0.0054    0.0037    0.0130    0.0115   -0.0112
 AT.  74 O  X    -0.0005    0.0004   -0.0015    0.0064   -0.0044   -0.0062
            Y    -0.0153   -0.0029    0.0018    0.0029   -0.0027   -0.0076
            Z     0.0110    0.0054   -0.0037   -0.0130    0.0115    0.0112
 AT.  75 O  X    -0.0005   -0.0004    0.0015    0.0064   -0.0044   -0.0062
            Y     0.0153   -0.0029    0.0018   -0.0029    0.0027    0.0076
            Z     0.0110   -0.0054    0.0037   -0.0130    0.0115    0.0112
 AT.  76 O  X     0.0005    0.0004    0.0015    0.0064    0.0044   -0.0062
            Y    -0.0153    0.0029    0.0018   -0.0029   -0.0027    0.0076
            Z     0.0110   -0.0054   -0.0037    0.0130    0.0115   -0.0112
 AT.  77 O  X    -0.0008    0.0025   -0.0012   -0.0009    0.0005   -0.0015
            Y     0.0131    0.0054   -0.0038    0.0111   -0.0102    0.0104
            Z     0.0042    0.0002   -0.0005   -0.0074    0.0068   -0.0056
 AT.  78 O  X     0.0008   -0.0025   -0.0012   -0.0009   -0.0005   -0.0015
            Y    -0.0131   -0.0054   -0.0038    0.0111    0.0102    0.0104
            Z     0.0042    0.0002    0.0005    0.0074    0.0068    0.0056
 AT.  79 O  X     0.0008    0.0025    0.0012   -0.0009   -0.0005   -0.0015
            Y     0.0131   -0.0054   -0.0038   -0.0111   -0.0102   -0.0104
            Z     0.0042   -0.0002   -0.0005    0.0074    0.0068    0.0056
 AT.  80 O  X    -0.0008   -0.0025    0.0012   -0.0009    0.0005   -0.0015
            Y    -0.0131    0.0054   -0.0038   -0.0111    0.0102   -0.0104
            Z     0.0042   -0.0002    0.0005   -0.0074    0.0068   -0.0056
 AT.  81 O  X    -0.0008    0.0025    0.0012   -0.0009   -0.0005    0.0015
            Y     0.0131    0.0054    0.0038    0.0111    0.0102   -0.0104
            Z     0.0042    0.0002    0.0005   -0.0074   -0.0068    0.0056
 AT.  82 O  X     0.0008   -0.0025    0.0012   -0.0009    0.0005    0.0015
            Y    -0.0131   -0.0054    0.0038    0.0111   -0.0102   -0.0104
            Z     0.0042    0.0002   -0.0005    0.0074   -0.0068   -0.0056
 AT.  83 O  X     0.0008    0.0025   -0.0012   -0.0009    0.0005    0.0015
            Y     0.0131   -0.0054    0.0038   -0.0111    0.0102    0.0104
            Z     0.0042   -0.0002    0.0005    0.0074   -0.0068   -0.0056
 AT.  84 O  X    -0.0008   -0.0025   -0.0012   -0.0009   -0.0005    0.0015
            Y    -0.0131    0.0054    0.0038   -0.0111   -0.0102    0.0104
            Z     0.0042   -0.0002   -0.0005   -0.0074   -0.0068    0.0056
 AT.  85 O  X    -0.0019    0.0015   -0.0011    0.0066   -0.0060   -0.0071
            Y     0.0027    0.0037   -0.0045    0.0024   -0.0028    0.0064
            Z     0.0048   -0.0141    0.0144    0.0030   -0.0013    0.0045
 AT.  86 O  X     0.0019   -0.0015   -0.0011    0.0066    0.0060   -0.0071
            Y    -0.0027   -0.0037   -0.0045    0.0024    0.0028    0.0064
            Z     0.0048   -0.0141   -0.0144   -0.0030   -0.0013   -0.0045
 AT.  87 O  X     0.0019    0.0015    0.0011    0.0066    0.0060   -0.0071
            Y     0.0027   -0.0037   -0.0045   -0.0024   -0.0028   -0.0064
            Z     0.0048    0.0141    0.0144   -0.0030   -0.0013   -0.0045
 AT.  88 O  X    -0.0019   -0.0015    0.0011    0.0066   -0.0060   -0.0071
            Y    -0.0027    0.0037   -0.0045   -0.0024    0.0028   -0.0064
            Z     0.0048    0.0141   -0.0144    0.0030   -0.0013    0.0045
 AT.  89 O  X    -0.0019    0.0015    0.0011    0.0066    0.0060    0.0071
            Y     0.0027    0.0037    0.0045    0.0024    0.0028   -0.0064
            Z     0.0048   -0.0141   -0.0144    0.0030    0.0013   -0.0045
 AT.  90 O  X     0.0019   -0.0015    0.0011    0.0066   -0.0060    0.0071
            Y    -0.0027   -0.0037    0.0045    0.0024   -0.0028   -0.0064
            Z     0.0048   -0.0141    0.0144   -0.0030    0.0013    0.0045
 AT.  91 O  X     0.0019    0.0015   -0.0011    0.0066   -0.0060    0.0071
            Y     0.0027   -0.0037    0.0045   -0.0024    0.0028    0.0064
            Z     0.0048    0.0141   -0.0144   -0.0030    0.0013    0.0045
 AT.  92 O  X    -0.0019   -0.0015   -0.0011    0.0066    0.0060    0.0071
            Y    -0.0027    0.0037    0.0045   -0.0024   -0.0028    0.0064
            Z     0.0048    0.0141    0.0144    0.0030    0.0013   -0.0045
 AT.  93 O  X     0.0044   -0.0148    0.0149    0.0020   -0.0002    0.0045
            Y    -0.0008   -0.0056    0.0061   -0.0081    0.0089    0.0000
            Z    -0.0062    0.0070   -0.0066    0.0023   -0.0032   -0.0117
 AT.  94 O  X    -0.0044    0.0148    0.0149    0.0020    0.0002    0.0045
            Y     0.0008    0.0056    0.0061   -0.0081   -0.0089    0.0000
            Z    -0.0062    0.0070    0.0066   -0.0023   -0.0032    0.0117
 AT.  95 O  X    -0.0044   -0.0148   -0.0149    0.0020    0.0002    0.0045
            Y    -0.0008    0.0056    0.0061    0.0081    0.0089    0.0000
            Z    -0.0062   -0.0070   -0.0066   -0.0023   -0.0032    0.0117
 AT.  96 O  X     0.0044    0.0148   -0.0149    0.0020   -0.0002    0.0045
            Y     0.0008   -0.0056    0.0061    0.0081   -0.0089    0.0000
            Z    -0.0062   -0.0070    0.0066    0.0023   -0.0032   -0.0117
 AT.  97 O  X     0.0044   -0.0148   -0.0149    0.0020    0.0002   -0.0045
            Y    -0.0008   -0.0056   -0.0061   -0.0081   -0.0089    0.0000
            Z    -0.0062    0.0070    0.0066    0.0023    0.0032    0.0117
 AT.  98 O  X    -0.0044    0.0148   -0.0149    0.0020   -0.0002   -0.0045
            Y     0.0008    0.0056   -0.0061   -0.0081    0.0089    0.0000
            Z    -0.0062    0.0070   -0.0066   -0.0023    0.0032   -0.0117
 AT.  99 O  X    -0.0044   -0.0148    0.0149    0.0020   -0.0002   -0.0045
            Y    -0.0008    0.0056   -0.0061    0.0081   -0.0089    0.0000
            Z    -0.0062   -0.0070    0.0066   -0.0023    0.0032   -0.0117
 AT. 100 O  X     0.0044    0.0148    0.0149    0.0020    0.0002   -0.0045
            Y     0.0008   -0.0056   -0.0061    0.0081    0.0089    0.0000
            Z    -0.0062   -0.0070   -0.0066    0.0023    0.0032    0.0117
 AT. 101 O  X     0.0011    0.0067   -0.0077    0.0045   -0.0057    0.0022
            Y    -0.0048    0.0130   -0.0129    0.0083   -0.0102   -0.0098
            Z    -0.0012    0.0143   -0.0149    0.0020   -0.0035    0.0000
 AT. 102 O  X    -0.0011   -0.0067   -0.0077    0.0045    0.0057    0.0022
            Y     0.0048   -0.0130   -0.0129    0.0083    0.0102   -0.0098
            Z    -0.0012    0.0143    0.0149   -0.0020   -0.0035    0.0000
 AT. 103 O  X    -0.0011    0.0067    0.0077    0.0045    0.0057    0.0022
            Y    -0.0048   -0.0130   -0.0129   -0.0083   -0.0102    0.0098
            Z    -0.0012   -0.0143   -0.0149   -0.0020   -0.0035    0.0000
 AT. 104 O  X     0.0011   -0.0067    0.0077    0.0045   -0.0057    0.0022
            Y     0.0048    0.0130   -0.0129   -0.0083    0.0102    0.0098
            Z    -0.0012   -0.0143    0.0149    0.0020   -0.0035    0.0000
 AT. 105 O  X     0.0011    0.0067    0.0077    0.0045    0.0057   -0.0022
            Y    -0.0048    0.0130    0.0129    0.0083    0.0102    0.0098
            Z    -0.0012    0.0143    0.0149    0.0020    0.0035    0.0000
 AT. 106 O  X    -0.0011   -0.0067    0.0077    0.0045   -0.0057   -0.0022
            Y     0.0048   -0.0130    0.0129    0.0083   -0.0102    0.0098
            Z    -0.0012    0.0143   -0.0149   -0.0020    0.0035    0.0000
 AT. 107 O  X    -0.0011    0.0067   -0.0077    0.0045   -0.0057   -0.0022
            Y    -0.0048   -0.0130    0.0129   -0.0083    0.0102   -0.0098
            Z    -0.0012   -0.0143    0.0149   -0.0020    0.0035    0.0000
 AT. 108 O  X     0.0011   -0.0067   -0.0077    0.0045    0.0057   -0.0022
            Y     0.0048    0.0130    0.0129   -0.0083   -0.0102   -0.0098
            Z    -0.0012   -0.0143   -0.0149    0.0020    0.0035    0.0000
 AT. 109 O  X    -0.0019    0.0025   -0.0022   -0.0051    0.0046   -0.0006
            Y    -0.0021    0.0163   -0.0169    0.0031   -0.0050   -0.0014
            Z    -0.0052    0.0023   -0.0018    0.0009   -0.0008   -0.0105
 AT. 110 O  X     0.0019   -0.0025   -0.0022   -0.0051   -0.0046   -0.0006
            Y     0.0021   -0.0163   -0.0169    0.0031    0.0050   -0.0014
            Z    -0.0052    0.0023    0.0018   -0.0009   -0.0008    0.0105
 AT. 111 O  X     0.0019    0.0025    0.0022   -0.0051   -0.0046   -0.0006
            Y    -0.0021   -0.0163   -0.0169   -0.0031   -0.0050    0.0014
            Z    -0.0052   -0.0023   -0.0018   -0.0009   -0.0008    0.0105
 AT. 112 O  X    -0.0019   -0.0025    0.0022   -0.0051    0.0046   -0.0006
            Y     0.0021    0.0163   -0.0169   -0.0031    0.0050    0.0014
            Z    -0.0052   -0.0023    0.0018    0.0009   -0.0008   -0.0105
 AT. 113 O  X    -0.0019    0.0025    0.0022   -0.0051   -0.0046    0.0006
            Y    -0.0021    0.0163    0.0169    0.0031    0.0050    0.0014
            Z    -0.0052    0.0023    0.0018    0.0009    0.0008    0.0105
 AT. 114 O  X     0.0019   -0.0025    0.0022   -0.0051    0.0046    0.0006
            Y     0.0021   -0.0163    0.0169    0.0031   -0.0050    0.0014
            Z    -0.0052    0.0023   -0.0018   -0.0009    0.0008   -0.0105
 AT. 115 O  X     0.0019    0.0025   -0.0022   -0.0051    0.0046    0.0006
            Y    -0.0021   -0.0163    0.0169   -0.0031    0.0050   -0.0014
            Z    -0.0052   -0.0023    0.0018   -0.0009    0.0008   -0.0105
 AT. 116 O  X    -0.0019   -0.0025   -0.0022   -0.0051   -0.0046    0.0006
            Y     0.0021    0.0163    0.0169   -0.0031   -0.0050   -0.0014
            Z    -0.0052   -0.0023   -0.0018    0.0009    0.0008    0.0105
 AT. 117 O  X     0.0005    0.0040   -0.0040   -0.0053    0.0060    0.0025
            Y     0.0011   -0.0127    0.0129   -0.0055    0.0071    0.0021
            Z    -0.0020    0.0066   -0.0068    0.0033   -0.0038   -0.0050
 AT. 118 O  X    -0.0005   -0.0040   -0.0040   -0.0053   -0.0060    0.0025
            Y    -0.0011    0.0127    0.0129   -0.0055   -0.0071    0.0021
            Z    -0.0020    0.0066    0.0068   -0.0033   -0.0038    0.0050
 AT. 119 O  X    -0.0005    0.0040    0.0040   -0.0053   -0.0060    0.0025
            Y     0.0011    0.0127    0.0129    0.0055    0.0071   -0.0021
            Z    -0.0020   -0.0066   -0.0068   -0.0033   -0.0038    0.0050
 AT. 120 O  X     0.0005   -0.0040    0.0040   -0.0053    0.0060    0.0025
            Y    -0.0011   -0.0127    0.0129    0.0055   -0.0071   -0.0021
            Z    -0.0020   -0.0066    0.0068    0.0033   -0.0038   -0.0050
 AT. 121 O  X     0.0005    0.0040    0.0040   -0.0053   -0.0060   -0.0025
            Y     0.0011   -0.0127   -0.0129   -0.0055   -0.0071   -0.0021
            Z    -0.0020    0.0066    0.0068    0.0033    0.0038    0.0050
 AT. 122 O  X    -0.0005   -0.0040    0.0040   -0.0053    0.0060   -0.0025
            Y    -0.0011    0.0127   -0.0129   -0.0055    0.0071   -0.0021
            Z    -0.0020    0.0066   -0.0068   -0.0033    0.0038   -0.0050
 AT. 123 O  X    -0.0005    0.0040   -0.0040   -0.0053    0.0060   -0.0025
            Y     0.0011    0.0127   -0.0129    0.0055   -0.0071    0.0021
            Z    -0.0020   -0.0066    0.0068   -0.0033    0.0038   -0.0050
 AT. 124 O  X     0.0005   -0.0040   -0.0040   -0.0053   -0.0060   -0.0025
            Y    -0.0011   -0.0127   -0.0129    0.0055    0.0071    0.0021
            Z    -0.0020   -0.0066   -0.0068    0.0033    0.0038    0.0050

 FREQ(CM**-1)    532.85    535.13    538.74    539.55    544.38    548.35

 AT.   1 SI X    -0.0006   -0.0016   -0.0013   -0.0008    0.0038   -0.0049
            Y    -0.0120    0.0075   -0.0034    0.0036   -0.0044    0.0033
            Z     0.0004    0.0009    0.0052   -0.0052   -0.0045    0.0081
 AT.   2 SI X     0.0006   -0.0016   -0.0013    0.0008   -0.0038   -0.0049
            Y     0.0120    0.0075   -0.0034   -0.0036    0.0044    0.0033
            Z     0.0004   -0.0009   -0.0052   -0.0052   -0.0045   -0.0081
 AT.   3 SI X    -0.0006   -0.0016    0.0013    0.0008    0.0038   -0.0049
            Y     0.0120   -0.0075   -0.0034    0.0036    0.0044   -0.0033
            Z    -0.0004   -0.0009    0.0052   -0.0052    0.0045   -0.0081
 AT.   4 SI X     0.0006   -0.0016    0.0013   -0.0008   -0.0038   -0.0049
            Y    -0.0120   -0.0075   -0.0034   -0.0036   -0.0044   -0.0033
            Z    -0.0004    0.0009   -0.0052   -0.0052    0.0045    0.0081
 AT.   5 SI X     0.0006    0.0016   -0.0013   -0.0008   -0.0038    0.0049
            Y     0.0120   -0.0075   -0.0034    0.0036    0.0044   -0.0033
            Z    -0.0004   -0.0009    0.0052   -0.0052    0.0045   -0.0081
 AT.   6 SI X    -0.0006    0.0016   -0.0013    0.0008    0.0038    0.0049
            Y    -0.0120   -0.0075   -0.0034   -0.0036   -0.0044   -0.0033
            Z    -0.0004    0.0009   -0.0052   -0.0052    0.0045    0.0081
 AT.   7 SI X     0.0006    0.0016    0.0013    0.0008   -0.0038    0.0049
            Y    -0.0120    0.0075   -0.0034    0.0036   -0.0044    0.0033
            Z     0.0004    0.0009    0.0052   -0.0052   -0.0045    0.0081
 AT.   8 SI X    -0.0006    0.0016    0.0013   -0.0008    0.0038    0.0049
            Y     0.0120    0.0075   -0.0034   -0.0036    0.0044    0.0033
            Z     0.0004   -0.0009   -0.0052   -0.0052   -0.0045   -0.0081
 AT.   9 SI X    -0.0015   -0.0008   -0.0035    0.0009    0.0041   -0.0021
            Y     0.0023    0.0047    0.0026    0.0058   -0.0009   -0.0048
            Z     0.0009    0.0056    0.0040    0.0030   -0.0066    0.0017
 AT.  10 SI X     0.0015   -0.0008   -0.0035   -0.0009   -0.0041   -0.0021
            Y    -0.0023    0.0047    0.0026   -0.0058    0.0009   -0.0048
            Z     0.0009   -0.0056   -0.0040    0.0030   -0.0066   -0.0017
 AT.  11 SI X    -0.0015   -0.0008    0.0035   -0.0009    0.0041   -0.0021
            Y    -0.0023   -0.0047    0.0026    0.0058    0.0009    0.0048
            Z    -0.0009   -0.0056    0.0040    0.0030    0.0066   -0.0017
 AT.  12 SI X     0.0015   -0.0008    0.0035    0.0009   -0.0041   -0.0021
            Y     0.0023   -0.0047    0.0026   -0.0058   -0.0009    0.0048
            Z    -0.0009    0.0056   -0.0040    0.0030    0.0066    0.0017
 AT.  13 SI X     0.0015    0.0008   -0.0035    0.0009   -0.0041    0.0021
            Y    -0.0023   -0.0047    0.0026    0.0058    0.0009    0.0048
            Z    -0.0009   -0.0056    0.0040    0.0030    0.0066   -0.0017
 AT.  14 SI X    -0.0015    0.0008   -0.0035   -0.0009    0.0041    0.0021
            Y     0.0023   -0.0047    0.0026   -0.0058   -0.0009    0.0048
            Z    -0.0009    0.0056   -0.0040    0.0030    0.0066    0.0017
 AT.  15 SI X     0.0015    0.0008    0.0035   -0.0009   -0.0041    0.0021
            Y     0.0023    0.0047    0.0026    0.0058   -0.0009   -0.0048
            Z     0.0009    0.0056    0.0040    0.0030   -0.0066    0.0017
 AT.  16 SI X    -0.0015    0.0008    0.0035    0.0009    0.0041    0.0021
            Y    -0.0023    0.0047    0.0026   -0.0058    0.0009   -0.0048
            Z     0.0009   -0.0056   -0.0040    0.0030   -0.0066   -0.0017
 AT.  17 SI X     0.0000   -0.0058    0.0000   -0.0058    0.0000    0.0024
            Y     0.0028    0.0000    0.0019    0.0000    0.0017    0.0000
            Z     0.0000    0.0075    0.0000    0.0092    0.0000   -0.0069
 AT.  18 SI X     0.0000   -0.0058    0.0000    0.0058    0.0000    0.0024
            Y    -0.0028    0.0000    0.0019    0.0000   -0.0017    0.0000
            Z     0.0000   -0.0075    0.0000    0.0092    0.0000    0.0069
 AT.  19 SI X     0.0000    0.0058    0.0000   -0.0058    0.0000   -0.0024
            Y    -0.0028    0.0000    0.0019    0.0000   -0.0017    0.0000
            Z     0.0000   -0.0075    0.0000    0.0092    0.0000    0.0069
 AT.  20 SI X     0.0000    0.0058    0.0000    0.0058    0.0000   -0.0024
            Y     0.0028    0.0000    0.0019    0.0000    0.0017    0.0000
            Z     0.0000    0.0075    0.0000    0.0092    0.0000   -0.0069
 AT.  21 CA X    -0.0004   -0.0001   -0.0005   -0.0001    0.0006   -0.0007
            Y     0.0021   -0.0016    0.0005   -0.0009    0.0012   -0.0009
            Z     0.0019   -0.0017    0.0012   -0.0019   -0.0001    0.0025
 AT.  22 CA X     0.0004   -0.0001   -0.0005    0.0001   -0.0006   -0.0007
            Y    -0.0021   -0.0016    0.0005    0.0009   -0.0012   -0.0009
            Z     0.0019    0.0017   -0.0012   -0.0019   -0.0001   -0.0025
 AT.  23 CA X    -0.0004   -0.0001    0.0005    0.0001    0.0006   -0.0007
            Y    -0.0021    0.0016    0.0005   -0.0009   -0.0012    0.0009
            Z    -0.0019    0.0017    0.0012   -0.0019    0.0001   -0.0025
 AT.  24 CA X     0.0004   -0.0001    0.0005   -0.0001   -0.0006   -0.0007
            Y     0.0021    0.0016    0.0005    0.0009    0.0012    0.0009
            Z    -0.0019   -0.0017   -0.0012   -0.0019    0.0001    0.0025
 AT.  25 CA X     0.0004    0.0001   -0.0005   -0.0001   -0.0006    0.0007
            Y    -0.0021    0.0016    0.0005   -0.0009   -0.0012    0.0009
            Z    -0.0019    0.0017    0.0012   -0.0019    0.0001   -0.0025
 AT.  26 CA X    -0.0004    0.0001   -0.0005    0.0001    0.0006    0.0007
            Y     0.0021    0.0016    0.0005    0.0009    0.0012    0.0009
            Z    -0.0019   -0.0017   -0.0012   -0.0019    0.0001    0.0025
 AT.  27 CA X     0.0004    0.0001    0.0005    0.0001   -0.0006    0.0007
            Y     0.0021   -0.0016    0.0005   -0.0009    0.0012   -0.0009
            Z     0.0019   -0.0017    0.0012   -0.0019   -0.0001    0.0025
 AT.  28 CA X    -0.0004    0.0001    0.0005   -0.0001    0.0006    0.0007
            Y    -0.0021   -0.0016    0.0005    0.0009   -0.0012   -0.0009
            Z     0.0019    0.0017   -0.0012   -0.0019   -0.0001   -0.0025
 AT.  29 CA X     0.0000    0.0000    0.0013   -0.0009    0.0000    0.0000
            Y     0.0000    0.0000   -0.0004    0.0005    0.0000    0.0000
            Z     0.0000    0.0000    0.0045   -0.0043    0.0000    0.0000
 AT.  30 CA X     0.0000    0.0000    0.0013    0.0009    0.0000    0.0000
            Y     0.0000    0.0000   -0.0004   -0.0005    0.0000    0.0000
            Z     0.0000    0.0000   -0.0045   -0.0043    0.0000    0.0000
 AT.  31 CA X     0.0000    0.0000   -0.0013    0.0009    0.0000    0.0000
            Y     0.0000    0.0000   -0.0004    0.0005    0.0000    0.0000
            Z     0.0000    0.0000    0.0045   -0.0043    0.0000    0.0000
 AT.  32 CA X     0.0000    0.0000   -0.0013   -0.0009    0.0000    0.0000
            Y     0.0000    0.0000   -0.0004   -0.0005    0.0000    0.0000
            Z     0.0000    0.0000   -0.0045   -0.0043    0.0000    0.0000
 AT.  33 CA X    -0.0002   -0.0003    0.0000   -0.0006   -0.0004    0.0010
            Y    -0.0012    0.0009   -0.0002    0.0004   -0.0007    0.0005
            Z     0.0019    0.0019    0.0036    0.0002   -0.0030    0.0014
 AT.  34 CA X     0.0002   -0.0003    0.0000    0.0006    0.0004    0.0010
            Y     0.0012    0.0009   -0.0002   -0.0004    0.0007    0.0005
            Z     0.0019   -0.0019   -0.0036    0.0002   -0.0030   -0.0014
 AT.  35 CA X    -0.0002   -0.0003    0.0000    0.0006   -0.0004    0.0010
            Y     0.0012   -0.0009   -0.0002    0.0004    0.0007   -0.0005
            Z    -0.0019   -0.0019    0.0036    0.0002    0.0030   -0.0014
 AT.  36 CA X     0.0002   -0.0003    0.0000   -0.0006    0.0004    0.0010
            Y    -0.0012   -0.0009   -0.0002   -0.0004   -0.0007   -0.0005
            Z    -0.0019    0.0019   -0.0036    0.0002    0.0030    0.0014
 AT.  37 CA X     0.0002    0.0003    0.0000   -0.0006    0.0004   -0.0010
            Y     0.0012   -0.0009   -0.0002    0.0004    0.0007   -0.0005
            Z    -0.0019   -0.0019    0.0036    0.0002    0.0030   -0.0014
 AT.  38 CA X    -0.0002    0.0003    0.0000    0.0006   -0.0004   -0.0010
            Y    -0.0012   -0.0009   -0.0002   -0.0004   -0.0007   -0.0005
            Z    -0.0019    0.0019   -0.0036    0.0002    0.0030    0.0014
 AT.  39 CA X     0.0002    0.0003    0.0000    0.0006    0.0004   -0.0010
            Y    -0.0012    0.0009   -0.0002    0.0004   -0.0007    0.0005
            Z     0.0019    0.0019    0.0036    0.0002   -0.0030    0.0014
 AT.  40 CA X    -0.0002    0.0003    0.0000   -0.0006   -0.0004   -0.0010
            Y     0.0012    0.0009   -0.0002   -0.0004    0.0007    0.0005
            Z     0.0019   -0.0019   -0.0036    0.0002   -0.0030   -0.0014
 AT.  41 CA X     0.0003   -0.0016   -0.0010   -0.0008    0.0022   -0.0009
            Y     0.0001   -0.0012   -0.0007   -0.0009    0.0012    0.0000
            Z     0.0026    0.0009    0.0021    0.0012   -0.0014   -0.0015
 AT.  42 CA X    -0.0003   -0.0016   -0.0010    0.0008   -0.0022   -0.0009
            Y    -0.0001   -0.0012   -0.0007    0.0009   -0.0012    0.0000
            Z     0.0026   -0.0009   -0.0021    0.0012   -0.0014    0.0015
 AT.  43 CA X     0.0003   -0.0016    0.0010    0.0008    0.0022   -0.0009
            Y    -0.0001    0.0012   -0.0007   -0.0009   -0.0012    0.0000
            Z    -0.0026   -0.0009    0.0021    0.0012    0.0014    0.0015
 AT.  44 CA X    -0.0003   -0.0016    0.0010   -0.0008   -0.0022   -0.0009
            Y     0.0001    0.0012   -0.0007    0.0009    0.0012    0.0000
            Z    -0.0026    0.0009   -0.0021    0.0012    0.0014   -0.0015
 AT.  45 CA X    -0.0003    0.0016   -0.0010   -0.0008   -0.0022    0.0009
            Y    -0.0001    0.0012   -0.0007   -0.0009   -0.0012    0.0000
            Z    -0.0026   -0.0009    0.0021    0.0012    0.0014    0.0015
 AT.  46 CA X     0.0003    0.0016   -0.0010    0.0008    0.0022    0.0009
            Y     0.0001    0.0012   -0.0007    0.0009    0.0012    0.0000
            Z    -0.0026    0.0009   -0.0021    0.0012    0.0014   -0.0015
 AT.  47 CA X    -0.0003    0.0016    0.0010    0.0008   -0.0022    0.0009
            Y     0.0001   -0.0012   -0.0007   -0.0009    0.0012    0.0000
            Z     0.0026    0.0009    0.0021    0.0012   -0.0014   -0.0015
 AT.  48 CA X     0.0003    0.0016    0.0010   -0.0008    0.0022    0.0009
            Y    -0.0001   -0.0012   -0.0007    0.0009   -0.0012    0.0000
            Z     0.0026   -0.0009   -0.0021    0.0012   -0.0014    0.0015
 AT.  49 CA X     0.0000    0.0001    0.0000   -0.0001    0.0000    0.0003
            Y    -0.0006    0.0000   -0.0007    0.0000    0.0003    0.0000
            Z     0.0000    0.0027    0.0000    0.0025    0.0000   -0.0010
 AT.  50 CA X     0.0000    0.0001    0.0000    0.0001    0.0000    0.0003
            Y     0.0006    0.0000   -0.0007    0.0000   -0.0003    0.0000
            Z     0.0000   -0.0027    0.0000    0.0025    0.0000    0.0010
 AT.  51 CA X     0.0000   -0.0001    0.0000   -0.0001    0.0000   -0.0003
            Y     0.0006    0.0000   -0.0007    0.0000   -0.0003    0.0000
            Z     0.0000   -0.0027    0.0000    0.0025    0.0000    0.0010
 AT.  52 CA X     0.0000   -0.0001    0.0000    0.0001    0.0000   -0.0003
            Y    -0.0006    0.0000   -0.0007    0.0000    0.0003    0.0000
            Z     0.0000    0.0027    0.0000    0.0025    0.0000   -0.0010
 AT.  53 O  X    -0.0043    0.0059   -0.0016    0.0040   -0.0067    0.0071
            Y    -0.0135    0.0071   -0.0051    0.0040   -0.0022   -0.0002
            Z    -0.0043    0.0001   -0.0157    0.0153    0.0100   -0.0196
 AT.  54 O  X     0.0043    0.0059   -0.0016   -0.0040    0.0067    0.0071
            Y     0.0135    0.0071   -0.0051   -0.0040    0.0022   -0.0002
            Z    -0.0043   -0.0001    0.0157    0.0153    0.0100    0.0196
 AT.  55 O  X    -0.0043    0.0059    0.0016   -0.0040   -0.0067    0.0071
            Y     0.0135   -0.0071   -0.0051    0.0040    0.0022    0.0002
            Z     0.0043   -0.0001   -0.0157    0.0153   -0.0100    0.0196
 AT.  56 O  X     0.0043    0.0059    0.0016    0.0040    0.0067    0.0071
            Y    -0.0135   -0.0071   -0.0051   -0.0040   -0.0022    0.0002
            Z     0.0043    0.0001    0.0157    0.0153   -0.0100   -0.0196
 AT.  57 O  X     0.0043   -0.0059   -0.0016    0.0040    0.0067   -0.0071
            Y     0.0135   -0.0071   -0.0051    0.0040    0.0022    0.0002
            Z     0.0043   -0.0001   -0.0157    0.0153   -0.0100    0.0196
 AT.  58 O  X    -0.0043   -0.0059   -0.0016   -0.0040   -0.0067   -0.0071
            Y    -0.0135   -0.0071   -0.0051   -0.0040   -0.0022    0.0002
            Z     0.0043    0.0001    0.0157    0.0153   -0.0100   -0.0196
 AT.  59 O  X     0.0043   -0.0059    0.0016   -0.0040    0.0067   -0.0071
            Y    -0.0135    0.0071   -0.0051    0.0040   -0.0022   -0.0002
            Z    -0.0043    0.0001   -0.0157    0.0153    0.0100   -0.0196
 AT.  60 O  X    -0.0043   -0.0059    0.0016    0.0040   -0.0067   -0.0071
            Y     0.0135    0.0071   -0.0051   -0.0040    0.0022   -0.0002
            Z    -0.0043   -0.0001    0.0157    0.0153    0.0100    0.0196
 AT.  61 O  X    -0.0004    0.0000   -0.0042    0.0046    0.0003   -0.0010
            Y     0.0153   -0.0065    0.0144   -0.0125   -0.0033    0.0104
            Z    -0.0145    0.0106   -0.0020    0.0031   -0.0106    0.0121
 AT.  62 O  X     0.0004    0.0000   -0.0042   -0.0046   -0.0003   -0.0010
            Y    -0.0153   -0.0065    0.0144    0.0125    0.0033    0.0104
            Z    -0.0145   -0.0106    0.0020    0.0031   -0.0106   -0.0121
 AT.  63 O  X    -0.0004    0.0000    0.0042   -0.0046    0.0003   -0.0010
            Y    -0.0153    0.0065    0.0144   -0.0125    0.0033   -0.0104
            Z     0.0145   -0.0106   -0.0020    0.0031    0.0106   -0.0121
 AT.  64 O  X     0.0004    0.0000    0.0042    0.0046   -0.0003   -0.0010
            Y     0.0153    0.0065    0.0144    0.0125   -0.0033   -0.0104
            Z     0.0145    0.0106    0.0020    0.0031    0.0106    0.0121
 AT.  65 O  X     0.0004    0.0000   -0.0042    0.0046   -0.0003    0.0010
            Y    -0.0153    0.0065    0.0144   -0.0125    0.0033   -0.0104
            Z     0.0145   -0.0106   -0.0020    0.0031    0.0106   -0.0121
 AT.  66 O  X    -0.0004    0.0000   -0.0042   -0.0046    0.0003    0.0010
            Y     0.0153    0.0065    0.0144    0.0125   -0.0033   -0.0104
            Z     0.0145    0.0106    0.0020    0.0031    0.0106    0.0121
 AT.  67 O  X     0.0004    0.0000    0.0042   -0.0046   -0.0003    0.0010
            Y     0.0153   -0.0065    0.0144   -0.0125   -0.0033    0.0104
            Z    -0.0145    0.0106   -0.0020    0.0031   -0.0106    0.0121
 AT.  68 O  X    -0.0004    0.0000    0.0042    0.0046    0.0003    0.0010
            Y    -0.0153   -0.0065    0.0144    0.0125    0.0033    0.0104
            Z    -0.0145   -0.0106    0.0020    0.0031   -0.0106   -0.0121
 AT.  69 O  X     0.0050   -0.0005    0.0076   -0.0051   -0.0044    0.0076
            Y     0.0105   -0.0077   -0.0057    0.0057    0.0098   -0.0137
            Z     0.0143   -0.0101    0.0067   -0.0085    0.0058   -0.0023
 AT.  70 O  X    -0.0050   -0.0005    0.0076    0.0051    0.0044    0.0076
            Y    -0.0105   -0.0077   -0.0057   -0.0057   -0.0098   -0.0137
            Z     0.0143    0.0101   -0.0067   -0.0085    0.0058    0.0023
 AT.  71 O  X     0.0050   -0.0005   -0.0076    0.0051   -0.0044    0.0076
            Y    -0.0105    0.0077   -0.0057    0.0057   -0.0098    0.0137
            Z    -0.0143    0.0101    0.0067   -0.0085   -0.0058    0.0023
 AT.  72 O  X    -0.0050   -0.0005   -0.0076   -0.0051    0.0044    0.0076
            Y     0.0105    0.0077   -0.0057   -0.0057    0.0098    0.0137
            Z    -0.0143   -0.0101   -0.0067   -0.0085   -0.0058   -0.0023
 AT.  73 O  X    -0.0050    0.0005    0.0076   -0.0051    0.0044   -0.0076
            Y    -0.0105    0.0077   -0.0057    0.0057   -0.0098    0.0137
            Z    -0.0143    0.0101    0.0067   -0.0085   -0.0058    0.0023
 AT.  74 O  X     0.0050    0.0005    0.0076    0.0051   -0.0044   -0.0076
            Y     0.0105    0.0077   -0.0057   -0.0057    0.0098    0.0137
            Z    -0.0143   -0.0101   -0.0067   -0.0085   -0.0058   -0.0023
 AT.  75 O  X    -0.0050    0.0005   -0.0076    0.0051    0.0044   -0.0076
            Y     0.0105   -0.0077   -0.0057    0.0057    0.0098   -0.0137
            Z     0.0143   -0.0101    0.0067   -0.0085    0.0058   -0.0023
 AT.  76 O  X     0.0050    0.0005   -0.0076   -0.0051   -0.0044   -0.0076
            Y    -0.0105   -0.0077   -0.0057   -0.0057   -0.0098   -0.0137
            Z     0.0143    0.0101   -0.0067   -0.0085    0.0058    0.0023
 AT.  77 O  X     0.0000   -0.0021   -0.0012   -0.0010    0.0041   -0.0053
            Y     0.0135   -0.0091    0.0037   -0.0042    0.0064   -0.0052
            Z    -0.0039    0.0003   -0.0120    0.0110    0.0067   -0.0131
 AT.  78 O  X     0.0000   -0.0021   -0.0012    0.0010   -0.0041   -0.0053
            Y    -0.0135   -0.0091    0.0037    0.0042   -0.0064   -0.0052
            Z    -0.0039   -0.0003    0.0120    0.0110    0.0067    0.0131
 AT.  79 O  X     0.0000   -0.0021    0.0012    0.0010    0.0041   -0.0053
            Y    -0.0135    0.0091    0.0037   -0.0042   -0.0064    0.0052
            Z     0.0039   -0.0003   -0.0120    0.0110   -0.0067    0.0131
 AT.  80 O  X     0.0000   -0.0021    0.0012   -0.0010   -0.0041   -0.0053
            Y     0.0135    0.0091    0.0037    0.0042    0.0064    0.0052
            Z     0.0039    0.0003    0.0120    0.0110   -0.0067   -0.0131
 AT.  81 O  X     0.0000    0.0021   -0.0012   -0.0010   -0.0041    0.0053
            Y    -0.0135    0.0091    0.0037   -0.0042   -0.0064    0.0052
            Z     0.0039   -0.0003   -0.0120    0.0110   -0.0067    0.0131
 AT.  82 O  X     0.0000    0.0021   -0.0012    0.0010    0.0041    0.0053
            Y     0.0135    0.0091    0.0037    0.0042    0.0064    0.0052
            Z     0.0039    0.0003    0.0120    0.0110   -0.0067   -0.0131
 AT.  83 O  X     0.0000    0.0021    0.0012    0.0010   -0.0041    0.0053
            Y     0.0135   -0.0091    0.0037   -0.0042    0.0064   -0.0052
            Z    -0.0039    0.0003   -0.0120    0.0110    0.0067   -0.0131
 AT.  84 O  X     0.0000    0.0021    0.0012   -0.0010    0.0041    0.0053
            Y    -0.0135   -0.0091    0.0037    0.0042   -0.0064   -0.0052
            Z    -0.0039   -0.0003    0.0120    0.0110    0.0067    0.0131
 AT.  85 O  X    -0.0030   -0.0045   -0.0032   -0.0039    0.0021    0.0016
            Y     0.0004    0.0051    0.0048    0.0009   -0.0090    0.0048
            Z     0.0063    0.0069    0.0097    0.0047   -0.0087   -0.0009
 AT.  86 O  X     0.0030   -0.0045   -0.0032    0.0039   -0.0021    0.0016
            Y    -0.0004    0.0051    0.0048   -0.0009    0.0090    0.0048
            Z     0.0063   -0.0069   -0.0097    0.0047   -0.0087    0.0009
 AT.  87 O  X    -0.0030   -0.0045    0.0032    0.0039    0.0021    0.0016
            Y    -0.0004   -0.0051    0.0048    0.0009    0.0090   -0.0048
            Z    -0.0063   -0.0069    0.0097    0.0047    0.0087    0.0009
 AT.  88 O  X     0.0030   -0.0045    0.0032   -0.0039   -0.0021    0.0016
            Y     0.0004   -0.0051    0.0048   -0.0009   -0.0090   -0.0048
            Z    -0.0063    0.0069   -0.0097    0.0047    0.0087   -0.0009
 AT.  89 O  X     0.0030    0.0045   -0.0032   -0.0039   -0.0021   -0.0016
            Y    -0.0004   -0.0051    0.0048    0.0009    0.0090   -0.0048
            Z    -0.0063   -0.0069    0.0097    0.0047    0.0087    0.0009
 AT.  90 O  X    -0.0030    0.0045   -0.0032    0.0039    0.0021   -0.0016
            Y     0.0004   -0.0051    0.0048   -0.0009   -0.0090   -0.0048
            Z    -0.0063    0.0069   -0.0097    0.0047    0.0087   -0.0009
 AT.  91 O  X     0.0030    0.0045    0.0032    0.0039   -0.0021   -0.0016
            Y     0.0004    0.0051    0.0048    0.0009   -0.0090    0.0048
            Z     0.0063    0.0069    0.0097    0.0047   -0.0087   -0.0009
 AT.  92 O  X    -0.0030    0.0045    0.0032   -0.0039    0.0021   -0.0016
            Y    -0.0004    0.0051    0.0048   -0.0009    0.0090    0.0048
            Z     0.0063   -0.0069   -0.0097    0.0047   -0.0087    0.0009
 AT.  93 O  X     0.0049    0.0062    0.0084    0.0032   -0.0078    0.0001
            Y     0.0007    0.0045    0.0002    0.0065    0.0006   -0.0058
            Z    -0.0049   -0.0138   -0.0113   -0.0097    0.0153    0.0001
 AT.  94 O  X    -0.0049    0.0062    0.0084   -0.0032    0.0078    0.0001
            Y    -0.0007    0.0045    0.0002   -0.0065   -0.0006   -0.0058
            Z    -0.0049    0.0138    0.0113   -0.0097    0.0153   -0.0001
 AT.  95 O  X     0.0049    0.0062   -0.0084   -0.0032   -0.0078    0.0001
            Y    -0.0007   -0.0045    0.0002    0.0065   -0.0006    0.0058
            Z     0.0049    0.0138   -0.0113   -0.0097   -0.0153   -0.0001
 AT.  96 O  X    -0.0049    0.0062   -0.0084    0.0032    0.0078    0.0001
            Y     0.0007   -0.0045    0.0002   -0.0065    0.0006    0.0058
            Z     0.0049   -0.0138    0.0113   -0.0097   -0.0153    0.0001
 AT.  97 O  X    -0.0049   -0.0062    0.0084    0.0032    0.0078   -0.0001
            Y    -0.0007   -0.0045    0.0002    0.0065   -0.0006    0.0058
            Z     0.0049    0.0138   -0.0113   -0.0097   -0.0153   -0.0001
 AT.  98 O  X     0.0049   -0.0062    0.0084   -0.0032   -0.0078   -0.0001
            Y     0.0007   -0.0045    0.0002   -0.0065    0.0006    0.0058
            Z     0.0049   -0.0138    0.0113   -0.0097   -0.0153    0.0001
 AT.  99 O  X    -0.0049   -0.0062   -0.0084   -0.0032    0.0078   -0.0001
            Y     0.0007    0.0045    0.0002    0.0065    0.0006   -0.0058
            Z    -0.0049   -0.0138   -0.0113   -0.0097    0.0153    0.0001
 AT. 100 O  X     0.0049   -0.0062   -0.0084    0.0032   -0.0078   -0.0001
            Y    -0.0007    0.0045    0.0002   -0.0065   -0.0006   -0.0058
            Z    -0.0049    0.0138    0.0113   -0.0097    0.0153   -0.0001
 AT. 101 O  X     0.0047   -0.0029    0.0076   -0.0049   -0.0064    0.0055
            Y    -0.0067   -0.0172   -0.0116   -0.0157    0.0119    0.0066
            Z    -0.0051   -0.0041   -0.0061   -0.0044    0.0029    0.0035
 AT. 102 O  X    -0.0047   -0.0029    0.0076    0.0049    0.0064    0.0055
            Y     0.0067   -0.0172   -0.0116    0.0157   -0.0119    0.0066
            Z    -0.0051    0.0041    0.0061   -0.0044    0.0029   -0.0035
 AT. 103 O  X     0.0047   -0.0029   -0.0076    0.0049   -0.0064    0.0055
            Y     0.0067    0.0172   -0.0116   -0.0157   -0.0119   -0.0066
            Z     0.0051    0.0041   -0.0061   -0.0044   -0.0029   -0.0035
 AT. 104 O  X    -0.0047   -0.0029   -0.0076   -0.0049    0.0064    0.0055
            Y    -0.0067    0.0172   -0.0116    0.0157    0.0119   -0.0066
            Z     0.0051   -0.0041    0.0061   -0.0044   -0.0029    0.0035
 AT. 105 O  X    -0.0047    0.0029    0.0076   -0.0049    0.0064   -0.0055
            Y     0.0067    0.0172   -0.0116   -0.0157   -0.0119   -0.0066
            Z     0.0051    0.0041   -0.0061   -0.0044   -0.0029   -0.0035
 AT. 106 O  X     0.0047    0.0029    0.0076    0.0049   -0.0064   -0.0055
            Y    -0.0067    0.0172   -0.0116    0.0157    0.0119   -0.0066
            Z     0.0051   -0.0041    0.0061   -0.0044   -0.0029    0.0035
 AT. 107 O  X    -0.0047    0.0029   -0.0076    0.0049    0.0064   -0.0055
            Y    -0.0067   -0.0172   -0.0116   -0.0157    0.0119    0.0066
            Z    -0.0051   -0.0041   -0.0061   -0.0044    0.0029    0.0035
 AT. 108 O  X     0.0047    0.0029   -0.0076   -0.0049   -0.0064   -0.0055
            Y     0.0067   -0.0172   -0.0116    0.0157   -0.0119    0.0066
            Z    -0.0051    0.0041    0.0061   -0.0044    0.0029   -0.0035
 AT. 109 O  X    -0.0014   -0.0009   -0.0040    0.0013    0.0050   -0.0031
            Y    -0.0038   -0.0057   -0.0051   -0.0058    0.0036    0.0044
            Z    -0.0051   -0.0086   -0.0092   -0.0052    0.0104   -0.0013
 AT. 110 O  X     0.0014   -0.0009   -0.0040   -0.0013   -0.0050   -0.0031
            Y     0.0038   -0.0057   -0.0051    0.0058   -0.0036    0.0044
            Z    -0.0051    0.0086    0.0092   -0.0052    0.0104    0.0013
 AT. 111 O  X    -0.0014   -0.0009    0.0040   -0.0013    0.0050   -0.0031
            Y     0.0038    0.0057   -0.0051   -0.0058   -0.0036   -0.0044
            Z     0.0051    0.0086   -0.0092   -0.0052   -0.0104    0.0013
 AT. 112 O  X     0.0014   -0.0009    0.0040    0.0013   -0.0050   -0.0031
            Y    -0.0038    0.0057   -0.0051    0.0058    0.0036   -0.0044
            Z     0.0051   -0.0086    0.0092   -0.0052   -0.0104   -0.0013
 AT. 113 O  X     0.0014    0.0009   -0.0040    0.0013   -0.0050    0.0031
            Y     0.0038    0.0057   -0.0051   -0.0058   -0.0036   -0.0044
            Z     0.0051    0.0086   -0.0092   -0.0052   -0.0104    0.0013
 AT. 114 O  X    -0.0014    0.0009   -0.0040   -0.0013    0.0050    0.0031
            Y    -0.0038    0.0057   -0.0051    0.0058    0.0036   -0.0044
            Z     0.0051   -0.0086    0.0092   -0.0052   -0.0104   -0.0013
 AT. 115 O  X     0.0014    0.0009    0.0040   -0.0013   -0.0050    0.0031
            Y    -0.0038   -0.0057   -0.0051   -0.0058    0.0036    0.0044
            Z    -0.0051   -0.0086   -0.0092   -0.0052    0.0104   -0.0013
 AT. 116 O  X    -0.0014    0.0009    0.0040    0.0013    0.0050    0.0031
            Y     0.0038   -0.0057   -0.0051    0.0058   -0.0036    0.0044
            Z    -0.0051    0.0086    0.0092   -0.0052    0.0104    0.0013
 AT. 117 O  X     0.0009    0.0069   -0.0010    0.0072    0.0041   -0.0042
            Y     0.0022    0.0083    0.0066    0.0091   -0.0104   -0.0061
            Z    -0.0002   -0.0076   -0.0024   -0.0068    0.0050    0.0024
 AT. 118 O  X    -0.0009    0.0069   -0.0010   -0.0072   -0.0041   -0.0042
            Y    -0.0022    0.0083    0.0066   -0.0091    0.0104   -0.0061
            Z    -0.0002    0.0076    0.0024   -0.0068    0.0050   -0.0024
 AT. 119 O  X     0.0009    0.0069    0.0010   -0.0072    0.0041   -0.0042
            Y    -0.0022   -0.0083    0.0066    0.0091    0.0104    0.0061
            Z     0.0002    0.0076   -0.0024   -0.0068   -0.0050   -0.0024
 AT. 120 O  X    -0.0009    0.0069    0.0010    0.0072   -0.0041   -0.0042
            Y     0.0022   -0.0083    0.0066   -0.0091   -0.0104    0.0061
            Z     0.0002   -0.0076    0.0024   -0.0068   -0.0050    0.0024
 AT. 121 O  X    -0.0009   -0.0069   -0.0010    0.0072   -0.0041    0.0042
            Y    -0.0022   -0.0083    0.0066    0.0091    0.0104    0.0061
            Z     0.0002    0.0076   -0.0024   -0.0068   -0.0050   -0.0024
 AT. 122 O  X     0.0009   -0.0069   -0.0010   -0.0072    0.0041    0.0042
            Y     0.0022   -0.0083    0.0066   -0.0091   -0.0104    0.0061
            Z     0.0002   -0.0076    0.0024   -0.0068   -0.0050    0.0024
 AT. 123 O  X    -0.0009   -0.0069    0.0010   -0.0072   -0.0041    0.0042
            Y     0.0022    0.0083    0.0066    0.0091   -0.0104   -0.0061
            Z    -0.0002   -0.0076   -0.0024   -0.0068    0.0050    0.0024
 AT. 124 O  X     0.0009   -0.0069    0.0010    0.0072    0.0041    0.0042
            Y    -0.0022    0.0083    0.0066   -0.0091    0.0104   -0.0061
            Z    -0.0002    0.0076    0.0024   -0.0068    0.0050   -0.0024

 FREQ(CM**-1)    550.28    554.47    555.30    556.37    556.44    558.68

 AT.   1 SI X     0.0021    0.0042   -0.0076    0.0027   -0.0027    0.0033
            Y    -0.0029   -0.0006    0.0026   -0.0059    0.0057   -0.0047
            Z     0.0048   -0.0082   -0.0037   -0.0084    0.0086    0.0046
 AT.   2 SI X     0.0021   -0.0042    0.0076   -0.0027   -0.0027    0.0033
            Y    -0.0029    0.0006   -0.0026    0.0059    0.0057   -0.0047
            Z    -0.0048   -0.0082   -0.0037   -0.0084   -0.0086   -0.0046
 AT.   3 SI X    -0.0021    0.0042   -0.0076   -0.0027    0.0027   -0.0033
            Y    -0.0029    0.0006   -0.0026   -0.0059    0.0057   -0.0047
            Z     0.0048    0.0082    0.0037   -0.0084    0.0086    0.0046
 AT.   4 SI X    -0.0021   -0.0042    0.0076    0.0027    0.0027   -0.0033
            Y    -0.0029   -0.0006    0.0026    0.0059    0.0057   -0.0047
            Z    -0.0048    0.0082    0.0037   -0.0084   -0.0086   -0.0046
 AT.   5 SI X     0.0021   -0.0042   -0.0076   -0.0027    0.0027   -0.0033
            Y    -0.0029    0.0006    0.0026    0.0059   -0.0057    0.0047
            Z     0.0048    0.0082   -0.0037    0.0084   -0.0086   -0.0046
 AT.   6 SI X     0.0021    0.0042    0.0076    0.0027    0.0027   -0.0033
            Y    -0.0029   -0.0006   -0.0026   -0.0059   -0.0057    0.0047
            Z    -0.0048    0.0082   -0.0037    0.0084    0.0086    0.0046
 AT.   7 SI X    -0.0021   -0.0042   -0.0076    0.0027   -0.0027    0.0033
            Y    -0.0029   -0.0006   -0.0026    0.0059   -0.0057    0.0047
            Z     0.0048   -0.0082    0.0037    0.0084   -0.0086   -0.0046
 AT.   8 SI X    -0.0021    0.0042    0.0076   -0.0027   -0.0027    0.0033
            Y    -0.0029    0.0006    0.0026   -0.0059   -0.0057    0.0047
            Z    -0.0048   -0.0082    0.0037    0.0084    0.0086    0.0046
 AT.   9 SI X     0.0039   -0.0024   -0.0039   -0.0009    0.0002    0.0050
            Y     0.0006   -0.0008   -0.0040    0.0003   -0.0001    0.0043
            Z    -0.0066    0.0042    0.0036    0.0015   -0.0017   -0.0043
 AT.  10 SI X     0.0039    0.0024    0.0039    0.0009    0.0002    0.0050
            Y     0.0006    0.0008    0.0040   -0.0003   -0.0001    0.0043
            Z     0.0066    0.0042    0.0036    0.0015    0.0017    0.0043
 AT.  11 SI X    -0.0039   -0.0024   -0.0039    0.0009   -0.0002   -0.0050
            Y     0.0006    0.0008    0.0040    0.0003   -0.0001    0.0043
            Z    -0.0066   -0.0042   -0.0036    0.0015   -0.0017   -0.0043
 AT.  12 SI X    -0.0039    0.0024    0.0039   -0.0009   -0.0002   -0.0050
            Y     0.0006   -0.0008   -0.0040   -0.0003   -0.0001    0.0043
            Z     0.0066   -0.0042   -0.0036    0.0015    0.0017    0.0043
 AT.  13 SI X     0.0039    0.0024   -0.0039    0.0009   -0.0002   -0.0050
            Y     0.0006    0.0008   -0.0040   -0.0003    0.0001   -0.0043
            Z    -0.0066   -0.0042    0.0036   -0.0015    0.0017    0.0043
 AT.  14 SI X     0.0039   -0.0024    0.0039   -0.0009   -0.0002   -0.0050
            Y     0.0006   -0.0008    0.0040    0.0003    0.0001   -0.0043
            Z     0.0066   -0.0042    0.0036   -0.0015   -0.0017   -0.0043
 AT.  15 SI X    -0.0039    0.0024   -0.0039   -0.0009    0.0002    0.0050
            Y     0.0006   -0.0008    0.0040   -0.0003    0.0001   -0.0043
            Z    -0.0066    0.0042   -0.0036   -0.0015    0.0017    0.0043
 AT.  16 SI X    -0.0039   -0.0024    0.0039    0.0009    0.0002    0.0050
            Y     0.0006    0.0008   -0.0040    0.0003    0.0001   -0.0043
            Z     0.0066    0.0042   -0.0036   -0.0015   -0.0017   -0.0043
 AT.  17 SI X     0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
            Y     0.0048   -0.0047   -0.0003    0.0000    0.0006   -0.0002
            Z     0.0000    0.0000    0.0000   -0.0004    0.0000    0.0000
 AT.  18 SI X     0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000
            Y     0.0048    0.0047    0.0003    0.0000    0.0006   -0.0002
            Z     0.0000    0.0000    0.0000   -0.0004    0.0000    0.0000
 AT.  19 SI X     0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000
            Y     0.0048    0.0047   -0.0003    0.0000   -0.0006    0.0002
            Z     0.0000    0.0000    0.0000    0.0004    0.0000    0.0000
 AT.  20 SI X     0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
            Y     0.0048   -0.0047    0.0003    0.0000   -0.0006    0.0002
            Z     0.0000    0.0000    0.0000    0.0004    0.0000    0.0000
 AT.  21 CA X     0.0006    0.0005   -0.0005   -0.0004    0.0004   -0.0002
            Y     0.0010    0.0002   -0.0016    0.0029   -0.0028    0.0022
            Z     0.0017   -0.0030    0.0012   -0.0004    0.0005    0.0011
 AT.  22 CA X     0.0006   -0.0005    0.0005    0.0004    0.0004   -0.0002
            Y     0.0010   -0.0002    0.0016   -0.0029   -0.0028    0.0022
            Z    -0.0017   -0.0030    0.0012   -0.0004   -0.0005   -0.0011
 AT.  23 CA X    -0.0006    0.0005   -0.0005    0.0004   -0.0004    0.0002
            Y     0.0010   -0.0002    0.0016    0.0029   -0.0028    0.0022
            Z     0.0017    0.0030   -0.0012   -0.0004    0.0005    0.0011
 AT.  24 CA X    -0.0006   -0.0005    0.0005   -0.0004   -0.0004    0.0002
            Y     0.0010    0.0002   -0.0016   -0.0029   -0.0028    0.0022
            Z    -0.0017    0.0030   -0.0012   -0.0004   -0.0005   -0.0011
 AT.  25 CA X     0.0006   -0.0005   -0.0005    0.0004   -0.0004    0.0002
            Y     0.0010   -0.0002   -0.0016   -0.0029    0.0028   -0.0022
            Z     0.0017    0.0030    0.0012    0.0004   -0.0005   -0.0011
 AT.  26 CA X     0.0006    0.0005    0.0005   -0.0004   -0.0004    0.0002
            Y     0.0010    0.0002    0.0016    0.0029    0.0028   -0.0022
            Z    -0.0017    0.0030    0.0012    0.0004    0.0005    0.0011
 AT.  27 CA X    -0.0006   -0.0005   -0.0005   -0.0004    0.0004   -0.0002
            Y     0.0010    0.0002    0.0016   -0.0029    0.0028   -0.0022
            Z     0.0017   -0.0030   -0.0012    0.0004   -0.0005   -0.0011
 AT.  28 CA X    -0.0006    0.0005    0.0005    0.0004    0.0004   -0.0002
            Y     0.0010   -0.0002   -0.0016    0.0029    0.0028   -0.0022
            Z    -0.0017   -0.0030   -0.0012    0.0004    0.0005    0.0011
 AT.  29 CA X     0.0004    0.0000    0.0009    0.0000    0.0000    0.0000
            Y    -0.0006    0.0000    0.0011    0.0000    0.0000    0.0000
            Z     0.0038    0.0000   -0.0027    0.0000    0.0000    0.0000
 AT.  30 CA X     0.0004    0.0000   -0.0009    0.0000    0.0000    0.0000
            Y    -0.0006    0.0000   -0.0011    0.0000    0.0000    0.0000
            Z    -0.0038    0.0000   -0.0027    0.0000    0.0000    0.0000
 AT.  31 CA X    -0.0004    0.0000    0.0009    0.0000    0.0000    0.0000
            Y    -0.0006    0.0000   -0.0011    0.0000    0.0000    0.0000
            Z     0.0038    0.0000    0.0027    0.0000    0.0000    0.0000
 AT.  32 CA X    -0.0004    0.0000   -0.0009    0.0000    0.0000    0.0000
            Y    -0.0006    0.0000    0.0011    0.0000    0.0000    0.0000
            Z    -0.0038    0.0000    0.0027    0.0000    0.0000    0.0000
 AT.  33 CA X    -0.0004   -0.0002    0.0014   -0.0001    0.0001   -0.0010
            Y    -0.0004   -0.0002    0.0000   -0.0007    0.0005   -0.0004
            Z    -0.0009    0.0001   -0.0001   -0.0017    0.0018   -0.0002
 AT.  34 CA X    -0.0004    0.0002   -0.0014    0.0001    0.0001   -0.0010
            Y    -0.0004    0.0002    0.0000    0.0007    0.0005   -0.0004
            Z     0.0009    0.0001   -0.0001   -0.0017   -0.0018    0.0002
 AT.  35 CA X     0.0004   -0.0002    0.0014    0.0001   -0.0001    0.0010
            Y    -0.0004    0.0002    0.0000   -0.0007    0.0005   -0.0004
            Z    -0.0009   -0.0001    0.0001   -0.0017    0.0018   -0.0002
 AT.  36 CA X     0.0004    0.0002   -0.0014   -0.0001   -0.0001    0.0010
            Y    -0.0004   -0.0002    0.0000    0.0007    0.0005   -0.0004
            Z     0.0009   -0.0001    0.0001   -0.0017   -0.0018    0.0002
 AT.  37 CA X    -0.0004    0.0002    0.0014    0.0001   -0.0001    0.0010
            Y    -0.0004    0.0002    0.0000    0.0007   -0.0005    0.0004
            Z    -0.0009   -0.0001   -0.0001    0.0017   -0.0018    0.0002
 AT.  38 CA X    -0.0004   -0.0002   -0.0014   -0.0001   -0.0001    0.0010
            Y    -0.0004   -0.0002    0.0000   -0.0007   -0.0005    0.0004
            Z     0.0009   -0.0001   -0.0001    0.0017    0.0018   -0.0002
 AT.  39 CA X     0.0004    0.0002    0.0014   -0.0001    0.0001   -0.0010
            Y    -0.0004   -0.0002    0.0000    0.0007   -0.0005    0.0004
            Z    -0.0009    0.0001    0.0001    0.0017   -0.0018    0.0002
 AT.  40 CA X     0.0004   -0.0002   -0.0014    0.0001    0.0001   -0.0010
            Y    -0.0004    0.0002    0.0000   -0.0007   -0.0005    0.0004
            Z     0.0009    0.0001    0.0001    0.0017    0.0018   -0.0002
 AT.  41 CA X     0.0021   -0.0008   -0.0003    0.0007   -0.0008   -0.0001
            Y     0.0006    0.0000    0.0025    0.0008   -0.0010   -0.0031
            Z    -0.0025    0.0034   -0.0010    0.0019   -0.0018    0.0008
 AT.  42 CA X     0.0021    0.0008    0.0003   -0.0007   -0.0008   -0.0001
            Y     0.0006    0.0000   -0.0025   -0.0008   -0.0010   -0.0031
            Z     0.0025    0.0034   -0.0010    0.0019    0.0018   -0.0008
 AT.  43 CA X    -0.0021   -0.0008   -0.0003   -0.0007    0.0008    0.0001
            Y     0.0006    0.0000   -0.0025    0.0008   -0.0010   -0.0031
            Z    -0.0025   -0.0034    0.0010    0.0019   -0.0018    0.0008
 AT.  44 CA X    -0.0021    0.0008    0.0003    0.0007    0.0008    0.0001
            Y     0.0006    0.0000    0.0025   -0.0008   -0.0010   -0.0031
            Z     0.0025   -0.0034    0.0010    0.0019    0.0018   -0.0008
 AT.  45 CA X     0.0021    0.0008   -0.0003   -0.0007    0.0008    0.0001
            Y     0.0006    0.0000    0.0025   -0.0008    0.0010    0.0031
            Z    -0.0025   -0.0034   -0.0010   -0.0019    0.0018   -0.0008
 AT.  46 CA X     0.0021   -0.0008    0.0003    0.0007    0.0008    0.0001
            Y     0.0006    0.0000   -0.0025    0.0008    0.0010    0.0031
            Z     0.0025   -0.0034   -0.0010   -0.0019   -0.0018    0.0008
 AT.  47 CA X    -0.0021    0.0008   -0.0003    0.0007   -0.0008   -0.0001
            Y     0.0006    0.0000   -0.0025   -0.0008    0.0010    0.0031
            Z    -0.0025    0.0034    0.0010   -0.0019    0.0018   -0.0008
 AT.  48 CA X    -0.0021   -0.0008    0.0003   -0.0007   -0.0008   -0.0001
            Y     0.0006    0.0000    0.0025    0.0008    0.0010    0.0031
            Z     0.0025    0.0034    0.0010   -0.0019   -0.0018    0.0008
 AT.  49 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y    -0.0002    0.0004   -0.0008    0.0000   -0.0005    0.0004
            Z     0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
 AT.  50 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y    -0.0002   -0.0004    0.0008    0.0000   -0.0005    0.0004
            Z     0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
 AT.  51 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y    -0.0002   -0.0004   -0.0008    0.0000    0.0005   -0.0004
            Z     0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000
 AT.  52 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y    -0.0002    0.0004    0.0008    0.0000    0.0005   -0.0004
            Z     0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000
 AT.  53 O  X    -0.0046   -0.0044    0.0103   -0.0060    0.0058   -0.0070
            Y    -0.0027    0.0030   -0.0007   -0.0061    0.0057   -0.0051
            Z    -0.0138    0.0198    0.0111    0.0197   -0.0201   -0.0102
 AT.  54 O  X    -0.0046    0.0044   -0.0103    0.0060    0.0058   -0.0070
            Y    -0.0027   -0.0030    0.0007    0.0061    0.0057   -0.0051
            Z     0.0138    0.0198    0.0111    0.0197    0.0201    0.0102
 AT.  55 O  X     0.0046   -0.0044    0.0103    0.0060   -0.0058    0.0070
            Y    -0.0027   -0.0030    0.0007   -0.0061    0.0057   -0.0051
            Z    -0.0138   -0.0198   -0.0111    0.0197   -0.0201   -0.0102
 AT.  56 O  X     0.0046    0.0044   -0.0103   -0.0060   -0.0058    0.0070
            Y    -0.0027    0.0030   -0.0007    0.0061    0.0057   -0.0051
            Z     0.0138   -0.0198   -0.0111    0.0197    0.0201    0.0102
 AT.  57 O  X    -0.0046    0.0044    0.0103    0.0060   -0.0058    0.0070
            Y    -0.0027   -0.0030   -0.0007    0.0061   -0.0057    0.0051
            Z    -0.0138   -0.0198    0.0111   -0.0197    0.0201    0.0102
 AT.  58 O  X    -0.0046   -0.0044   -0.0103   -0.0060   -0.0058    0.0070
            Y    -0.0027    0.0030    0.0007   -0.0061   -0.0057    0.0051
            Z     0.0138   -0.0198    0.0111   -0.0197   -0.0201   -0.0102
 AT.  59 O  X     0.0046    0.0044    0.0103   -0.0060    0.0058   -0.0070
            Y    -0.0027    0.0030    0.0007    0.0061   -0.0057    0.0051
            Z    -0.0138    0.0198   -0.0111   -0.0197    0.0201    0.0102
 AT.  60 O  X     0.0046   -0.0044   -0.0103    0.0060    0.0058   -0.0070
            Y    -0.0027   -0.0030   -0.0007   -0.0061   -0.0057    0.0051
            Z     0.0138    0.0198   -0.0111   -0.0197   -0.0201   -0.0102
 AT.  61 O  X    -0.0051    0.0005    0.0094    0.0023   -0.0021   -0.0033
            Y     0.0109   -0.0130   -0.0091   -0.0053    0.0058    0.0125
            Z    -0.0042   -0.0072    0.0092   -0.0153    0.0150   -0.0092
 AT.  62 O  X    -0.0051   -0.0005   -0.0094   -0.0023   -0.0021   -0.0033
            Y     0.0109    0.0130    0.0091    0.0053    0.0058    0.0125
            Z     0.0042   -0.0072    0.0092   -0.0153   -0.0150    0.0092
 AT.  63 O  X     0.0051    0.0005    0.0094   -0.0023    0.0021    0.0033
            Y     0.0109    0.0130    0.0091   -0.0053    0.0058    0.0125
            Z    -0.0042    0.0072   -0.0092   -0.0153    0.0150   -0.0092
 AT.  64 O  X     0.0051   -0.0005   -0.0094    0.0023    0.0021    0.0033
            Y     0.0109   -0.0130   -0.0091    0.0053    0.0058    0.0125
            Z     0.0042    0.0072   -0.0092   -0.0153   -0.0150    0.0092
 AT.  65 O  X    -0.0051   -0.0005    0.0094   -0.0023    0.0021    0.0033
            Y     0.0109    0.0130   -0.0091    0.0053   -0.0058   -0.0125
            Z    -0.0042    0.0072    0.0092    0.0153   -0.0150    0.0092
 AT.  66 O  X    -0.0051    0.0005   -0.0094    0.0023    0.0021    0.0033
            Y     0.0109   -0.0130    0.0091   -0.0053   -0.0058   -0.0125
            Z     0.0042    0.0072    0.0092    0.0153    0.0150   -0.0092
 AT.  67 O  X     0.0051   -0.0005    0.0094    0.0023   -0.0021   -0.0033
            Y     0.0109   -0.0130    0.0091    0.0053   -0.0058   -0.0125
            Z    -0.0042   -0.0072   -0.0092    0.0153   -0.0150    0.0092
 AT.  68 O  X     0.0051    0.0005   -0.0094   -0.0023   -0.0021   -0.0033
            Y     0.0109    0.0130   -0.0091   -0.0053   -0.0058   -0.0125
            Z     0.0042   -0.0072   -0.0092    0.0153    0.0150   -0.0092
 AT.  69 O  X     0.0029   -0.0076    0.0027   -0.0047    0.0048   -0.0002
            Y    -0.0056    0.0108    0.0052    0.0197   -0.0195    0.0003
            Z     0.0092   -0.0025   -0.0122    0.0063   -0.0059    0.0119
 AT.  70 O  X     0.0029    0.0076   -0.0027    0.0047    0.0048   -0.0002
            Y    -0.0056   -0.0108   -0.0052   -0.0197   -0.0195    0.0003
            Z    -0.0092   -0.0025   -0.0122    0.0063    0.0059   -0.0119
 AT.  71 O  X    -0.0029   -0.0076    0.0027    0.0047   -0.0048    0.0002
            Y    -0.0056   -0.0108   -0.0052    0.0197   -0.0195    0.0003
            Z     0.0092    0.0025    0.0122    0.0063   -0.0059    0.0119
 AT.  72 O  X    -0.0029    0.0076   -0.0027   -0.0047   -0.0048    0.0002
            Y    -0.0056    0.0108    0.0052   -0.0197   -0.0195    0.0003
            Z    -0.0092    0.0025    0.0122    0.0063    0.0059   -0.0119
 AT.  73 O  X     0.0029    0.0076    0.0027    0.0047   -0.0048    0.0002
            Y    -0.0056   -0.0108    0.0052   -0.0197    0.0195   -0.0003
            Z     0.0092    0.0025   -0.0122   -0.0063    0.0059   -0.0119
 AT.  74 O  X     0.0029   -0.0076   -0.0027   -0.0047   -0.0048    0.0002
            Y    -0.0056    0.0108   -0.0052    0.0197    0.0195   -0.0003
            Z    -0.0092    0.0025   -0.0122   -0.0063   -0.0059    0.0119
 AT.  75 O  X    -0.0029    0.0076    0.0027   -0.0047    0.0048   -0.0002
            Y    -0.0056    0.0108   -0.0052   -0.0197    0.0195   -0.0003
            Z     0.0092   -0.0025    0.0122   -0.0063    0.0059   -0.0119
 AT.  76 O  X    -0.0029   -0.0076   -0.0027    0.0047    0.0048   -0.0002
            Y    -0.0056   -0.0108    0.0052    0.0197    0.0195   -0.0003
            Z    -0.0092   -0.0025    0.0122   -0.0063   -0.0059    0.0119
 AT.  77 O  X     0.0026    0.0042   -0.0090    0.0028   -0.0028    0.0041
            Y     0.0043    0.0009   -0.0047    0.0094   -0.0090    0.0077
            Z    -0.0098    0.0132    0.0074    0.0129   -0.0130   -0.0069
 AT.  78 O  X     0.0026   -0.0042    0.0090   -0.0028   -0.0028    0.0041
            Y     0.0043   -0.0009    0.0047   -0.0094   -0.0090    0.0077
            Z     0.0098    0.0132    0.0074    0.0129    0.0130    0.0069
 AT.  79 O  X    -0.0026    0.0042   -0.0090   -0.0028    0.0028   -0.0041
            Y     0.0043   -0.0009    0.0047    0.0094   -0.0090    0.0077
            Z    -0.0098   -0.0132   -0.0074    0.0129   -0.0130   -0.0069
 AT.  80 O  X    -0.0026   -0.0042    0.0090    0.0028    0.0028   -0.0041
            Y     0.0043    0.0009   -0.0047   -0.0094   -0.0090    0.0077
            Z     0.0098   -0.0132   -0.0074    0.0129    0.0130    0.0069
 AT.  81 O  X     0.0026   -0.0042   -0.0090   -0.0028    0.0028   -0.0041
            Y     0.0043   -0.0009   -0.0047   -0.0094    0.0090   -0.0077
            Z    -0.0098   -0.0132    0.0074   -0.0129    0.0130    0.0069
 AT.  82 O  X     0.0026    0.0042    0.0090    0.0028    0.0028   -0.0041
            Y     0.0043    0.0009    0.0047    0.0094    0.0090   -0.0077
            Z     0.0098   -0.0132    0.0074   -0.0129   -0.0130   -0.0069
 AT.  83 O  X    -0.0026   -0.0042   -0.0090    0.0028   -0.0028    0.0041
            Y     0.0043    0.0009    0.0047   -0.0094    0.0090   -0.0077
            Z    -0.0098    0.0132   -0.0074   -0.0129    0.0130    0.0069
 AT.  84 O  X    -0.0026    0.0042    0.0090   -0.0028   -0.0028    0.0041
            Y     0.0043   -0.0009   -0.0047    0.0094    0.0090   -0.0077
            Z     0.0098    0.0132   -0.0074   -0.0129   -0.0130   -0.0069
 AT.  85 O  X     0.0003   -0.0002    0.0009    0.0012   -0.0007   -0.0018
            Y    -0.0100    0.0071    0.0127    0.0000    0.0006   -0.0142
            Z    -0.0059    0.0033   -0.0025    0.0010   -0.0006    0.0010
 AT.  86 O  X     0.0003    0.0002   -0.0009   -0.0012   -0.0007   -0.0018
            Y    -0.0100   -0.0071   -0.0127    0.0000    0.0006   -0.0142
            Z     0.0059    0.0033   -0.0025    0.0010    0.0006   -0.0010
 AT.  87 O  X    -0.0003   -0.0002    0.0009   -0.0012    0.0007    0.0018
            Y    -0.0100   -0.0071   -0.0127    0.0000    0.0006   -0.0142
            Z    -0.0059   -0.0033    0.0025    0.0010   -0.0006    0.0010
 AT.  88 O  X    -0.0003    0.0002   -0.0009    0.0012    0.0007    0.0018
            Y    -0.0100    0.0071    0.0127    0.0000    0.0006   -0.0142
            Z     0.0059   -0.0033    0.0025    0.0010    0.0006   -0.0010
 AT.  89 O  X     0.0003    0.0002    0.0009   -0.0012    0.0007    0.0018
            Y    -0.0100   -0.0071    0.0127    0.0000   -0.0006    0.0142
            Z    -0.0059   -0.0033   -0.0025   -0.0010    0.0006   -0.0010
 AT.  90 O  X     0.0003   -0.0002   -0.0009    0.0012    0.0007    0.0018
            Y    -0.0100    0.0071   -0.0127    0.0000   -0.0006    0.0142
            Z     0.0059   -0.0033   -0.0025   -0.0010   -0.0006    0.0010
 AT.  91 O  X    -0.0003    0.0002    0.0009    0.0012   -0.0007   -0.0018
            Y    -0.0100    0.0071   -0.0127    0.0000   -0.0006    0.0142
            Z    -0.0059    0.0033    0.0025   -0.0010    0.0006   -0.0010
 AT.  92 O  X    -0.0003   -0.0002   -0.0009   -0.0012   -0.0007   -0.0018
            Y    -0.0100   -0.0071    0.0127    0.0000   -0.0006    0.0142
            Z     0.0059    0.0033    0.0025   -0.0010   -0.0006    0.0010
 AT.  93 O  X    -0.0057    0.0039    0.0015    0.0011   -0.0009   -0.0038
            Y     0.0015   -0.0013   -0.0074   -0.0003   -0.0003    0.0082
            Z     0.0154   -0.0111   -0.0088   -0.0012    0.0007    0.0105
 AT.  94 O  X    -0.0057   -0.0039   -0.0015   -0.0011   -0.0009   -0.0038
            Y     0.0015    0.0013    0.0074    0.0003   -0.0003    0.0082
            Z    -0.0154   -0.0111   -0.0088   -0.0012   -0.0007   -0.0105
 AT.  95 O  X     0.0057    0.0039    0.0015   -0.0011    0.0009    0.0038
            Y     0.0015    0.0013    0.0074   -0.0003   -0.0003    0.0082
            Z     0.0154    0.0111    0.0088   -0.0012    0.0007    0.0105
 AT.  96 O  X     0.0057   -0.0039   -0.0015    0.0011    0.0009    0.0038
            Y     0.0015   -0.0013   -0.0074    0.0003   -0.0003    0.0082
            Z    -0.0154    0.0111    0.0088   -0.0012   -0.0007   -0.0105
 AT.  97 O  X    -0.0057   -0.0039    0.0015   -0.0011    0.0009    0.0038
            Y     0.0015    0.0013   -0.0074    0.0003    0.0003   -0.0082
            Z     0.0154    0.0111   -0.0088    0.0012   -0.0007   -0.0105
 AT.  98 O  X    -0.0057    0.0039   -0.0015    0.0011    0.0009    0.0038
            Y     0.0015   -0.0013    0.0074   -0.0003    0.0003   -0.0082
            Z    -0.0154    0.0111   -0.0088    0.0012    0.0007    0.0105
 AT.  99 O  X     0.0057   -0.0039    0.0015    0.0011   -0.0009   -0.0038
            Y     0.0015   -0.0013    0.0074    0.0003    0.0003   -0.0082
            Z     0.0154   -0.0111    0.0088    0.0012   -0.0007   -0.0105
 AT. 100 O  X     0.0057    0.0039   -0.0015   -0.0011   -0.0009   -0.0038
            Y     0.0015    0.0013   -0.0074   -0.0003    0.0003   -0.0082
            Z    -0.0154   -0.0111    0.0088    0.0012    0.0007    0.0105
 AT. 101 O  X    -0.0055    0.0033    0.0094    0.0001    0.0018   -0.0099
            Y     0.0094   -0.0058   -0.0012   -0.0008    0.0006    0.0025
            Z    -0.0014    0.0026    0.0087   -0.0003    0.0004   -0.0085
 AT. 102 O  X    -0.0055   -0.0033   -0.0094   -0.0001    0.0018   -0.0099
            Y     0.0094    0.0058    0.0012    0.0008    0.0006    0.0025
            Z     0.0014    0.0026    0.0087   -0.0003   -0.0004    0.0085
 AT. 103 O  X     0.0055    0.0033    0.0094   -0.0001   -0.0018    0.0099
            Y     0.0094    0.0058    0.0012   -0.0008    0.0006    0.0025
            Z    -0.0014   -0.0026   -0.0087   -0.0003    0.0004   -0.0085
 AT. 104 O  X     0.0055   -0.0033   -0.0094    0.0001   -0.0018    0.0099
            Y     0.0094   -0.0058   -0.0012    0.0008    0.0006    0.0025
            Z     0.0014   -0.0026   -0.0087   -0.0003   -0.0004    0.0085
 AT. 105 O  X    -0.0055   -0.0033    0.0094   -0.0001   -0.0018    0.0099
            Y     0.0094    0.0058   -0.0012    0.0008   -0.0006   -0.0025
            Z    -0.0014   -0.0026    0.0087    0.0003   -0.0004    0.0085
 AT. 106 O  X    -0.0055    0.0033   -0.0094    0.0001   -0.0018    0.0099
            Y     0.0094   -0.0058    0.0012   -0.0008   -0.0006   -0.0025
            Z     0.0014   -0.0026    0.0087    0.0003    0.0004   -0.0085
 AT. 107 O  X     0.0055   -0.0033    0.0094    0.0001    0.0018   -0.0099
            Y     0.0094   -0.0058    0.0012    0.0008   -0.0006   -0.0025
            Z    -0.0014    0.0026   -0.0087    0.0003   -0.0004    0.0085
 AT. 108 O  X     0.0055    0.0033   -0.0094   -0.0001    0.0018   -0.0099
            Y     0.0094    0.0058   -0.0012   -0.0008   -0.0006   -0.0025
            Z     0.0014    0.0026   -0.0087    0.0003    0.0004   -0.0085
 AT. 109 O  X     0.0049   -0.0030   -0.0050   -0.0010    0.0001    0.0061
            Y     0.0007    0.0004    0.0079   -0.0003    0.0008   -0.0077
            Z     0.0095   -0.0068   -0.0062   -0.0009    0.0003    0.0074
 AT. 110 O  X     0.0049    0.0030    0.0050    0.0010    0.0001    0.0061
            Y     0.0007   -0.0004   -0.0079    0.0003    0.0008   -0.0077
            Z    -0.0095   -0.0068   -0.0062   -0.0009   -0.0003   -0.0074
 AT. 111 O  X    -0.0049   -0.0030   -0.0050    0.0010   -0.0001   -0.0061
            Y     0.0007   -0.0004   -0.0079   -0.0003    0.0008   -0.0077
            Z     0.0095    0.0068    0.0062   -0.0009    0.0003    0.0074
 AT. 112 O  X    -0.0049    0.0030    0.0050   -0.0010   -0.0001   -0.0061
            Y     0.0007    0.0004    0.0079    0.0003    0.0008   -0.0077
            Z    -0.0095    0.0068    0.0062   -0.0009   -0.0003   -0.0074
 AT. 113 O  X     0.0049    0.0030   -0.0050    0.0010   -0.0001   -0.0061
            Y     0.0007   -0.0004    0.0079    0.0003   -0.0008    0.0077
            Z     0.0095    0.0068   -0.0062    0.0009   -0.0003   -0.0074
 AT. 114 O  X     0.0049   -0.0030    0.0050   -0.0010   -0.0001   -0.0061
            Y     0.0007    0.0004   -0.0079   -0.0003   -0.0008    0.0077
            Z    -0.0095    0.0068   -0.0062    0.0009    0.0003    0.0074
 AT. 115 O  X    -0.0049    0.0030   -0.0050   -0.0010    0.0001    0.0061
            Y     0.0007    0.0004   -0.0079    0.0003   -0.0008    0.0077
            Z     0.0095   -0.0068    0.0062    0.0009   -0.0003   -0.0074
 AT. 116 O  X    -0.0049   -0.0030    0.0050    0.0010    0.0001    0.0061
            Y     0.0007   -0.0004    0.0079   -0.0003   -0.0008    0.0077
            Z    -0.0095   -0.0068    0.0062    0.0009    0.0003    0.0074
 AT. 117 O  X     0.0062   -0.0051   -0.0032    0.0000    0.0010    0.0037
            Y    -0.0108    0.0078    0.0012    0.0004   -0.0023   -0.0021
            Z     0.0062   -0.0050    0.0010   -0.0003    0.0012   -0.0010
 AT. 118 O  X     0.0062    0.0051    0.0032    0.0000    0.0010    0.0037
            Y    -0.0108   -0.0078   -0.0012   -0.0004   -0.0023   -0.0021
            Z    -0.0062   -0.0050    0.0010   -0.0003   -0.0012    0.0010
 AT. 119 O  X    -0.0062   -0.0051   -0.0032    0.0000   -0.0010   -0.0037
            Y    -0.0108   -0.0078   -0.0012    0.0004   -0.0023   -0.0021
            Z     0.0062    0.0050   -0.0010   -0.0003    0.0012   -0.0010
 AT. 120 O  X    -0.0062    0.0051    0.0032    0.0000   -0.0010   -0.0037
            Y    -0.0108    0.0078    0.0012   -0.0004   -0.0023   -0.0021
            Z    -0.0062    0.0050   -0.0010   -0.0003   -0.0012    0.0010
 AT. 121 O  X     0.0062    0.0051   -0.0032    0.0000   -0.0010   -0.0037
            Y    -0.0108   -0.0078    0.0012   -0.0004    0.0023    0.0021
            Z     0.0062    0.0050    0.0010    0.0003   -0.0012    0.0010
 AT. 122 O  X     0.0062   -0.0051    0.0032    0.0000   -0.0010   -0.0037
            Y    -0.0108    0.0078   -0.0012    0.0004    0.0023    0.0021
            Z    -0.0062    0.0050    0.0010    0.0003    0.0012   -0.0010
 AT. 123 O  X    -0.0062    0.0051   -0.0032    0.0000    0.0010    0.0037
            Y    -0.0108    0.0078   -0.0012   -0.0004    0.0023    0.0021
            Z     0.0062   -0.0050   -0.0010    0.0003   -0.0012    0.0010
 AT. 124 O  X    -0.0062   -0.0051    0.0032    0.0000    0.0010    0.0037
            Y    -0.0108   -0.0078    0.0012    0.0004    0.0023    0.0021
            Z    -0.0062   -0.0050   -0.0010    0.0003    0.0012   -0.0010

 FREQ(CM**-1)    560.41    561.27    562.75    562.82    566.40    566.63

 AT.   1 SI X     0.0145   -0.0132   -0.0146    0.0128    0.0107    0.0137
            Y    -0.0001    0.0013    0.0005    0.0020    0.0003    0.0007
            Z     0.0001   -0.0012    0.0008   -0.0028    0.0044    0.0025
 AT.   2 SI X     0.0145    0.0132   -0.0146   -0.0128    0.0107   -0.0137
            Y    -0.0001   -0.0013    0.0005   -0.0020    0.0003   -0.0007
            Z    -0.0001   -0.0012   -0.0008   -0.0028   -0.0044    0.0025
 AT.   3 SI X     0.0145    0.0132    0.0146    0.0128    0.0107    0.0137
            Y     0.0001    0.0013    0.0005   -0.0020   -0.0003   -0.0007
            Z    -0.0001   -0.0012    0.0008    0.0028   -0.0044   -0.0025
 AT.   4 SI X     0.0145   -0.0132    0.0146   -0.0128    0.0107   -0.0137
            Y     0.0001   -0.0013    0.0005    0.0020   -0.0003    0.0007
            Z     0.0001   -0.0012   -0.0008    0.0028    0.0044   -0.0025
 AT.   5 SI X     0.0145   -0.0132   -0.0146    0.0128   -0.0107   -0.0137
            Y    -0.0001    0.0013    0.0005    0.0020   -0.0003   -0.0007
            Z     0.0001   -0.0012    0.0008   -0.0028   -0.0044   -0.0025
 AT.   6 SI X     0.0145    0.0132   -0.0146   -0.0128   -0.0107    0.0137
            Y    -0.0001   -0.0013    0.0005   -0.0020   -0.0003    0.0007
            Z    -0.0001   -0.0012   -0.0008   -0.0028    0.0044   -0.0025
 AT.   7 SI X     0.0145    0.0132    0.0146    0.0128   -0.0107   -0.0137
            Y     0.0001    0.0013    0.0005   -0.0020    0.0003    0.0007
            Z    -0.0001   -0.0012    0.0008    0.0028    0.0044    0.0025
 AT.   8 SI X     0.0145   -0.0132    0.0146   -0.0128   -0.0107    0.0137
            Y     0.0001   -0.0013    0.0005    0.0020    0.0003   -0.0007
            Z     0.0001   -0.0012   -0.0008    0.0028   -0.0044    0.0025
 AT.   9 SI X    -0.0005   -0.0023    0.0010   -0.0025    0.0026   -0.0005
            Y     0.0019   -0.0041   -0.0001   -0.0029    0.0040    0.0001
            Z    -0.0011    0.0032   -0.0004    0.0037   -0.0036   -0.0002
 AT.  10 SI X    -0.0005    0.0023    0.0010    0.0025    0.0026    0.0005
            Y     0.0019    0.0041   -0.0001    0.0029    0.0040   -0.0001
            Z     0.0011    0.0032    0.0004    0.0037    0.0036   -0.0002
 AT.  11 SI X    -0.0005    0.0023   -0.0010   -0.0025    0.0026   -0.0005
            Y    -0.0019   -0.0041   -0.0001    0.0029   -0.0040   -0.0001
            Z     0.0011    0.0032   -0.0004   -0.0037    0.0036    0.0002
 AT.  12 SI X    -0.0005   -0.0023   -0.0010    0.0025    0.0026    0.0005
            Y    -0.0019    0.0041   -0.0001   -0.0029   -0.0040    0.0001
            Z    -0.0011    0.0032    0.0004   -0.0037   -0.0036    0.0002
 AT.  13 SI X    -0.0005   -0.0023    0.0010   -0.0025   -0.0026    0.0005
            Y     0.0019   -0.0041   -0.0001   -0.0029   -0.0040   -0.0001
            Z    -0.0011    0.0032   -0.0004    0.0037    0.0036    0.0002
 AT.  14 SI X    -0.0005    0.0023    0.0010    0.0025   -0.0026   -0.0005
            Y     0.0019    0.0041   -0.0001    0.0029   -0.0040    0.0001
            Z     0.0011    0.0032    0.0004    0.0037   -0.0036    0.0002
 AT.  15 SI X    -0.0005    0.0023   -0.0010   -0.0025   -0.0026    0.0005
            Y    -0.0019   -0.0041   -0.0001    0.0029    0.0040    0.0001
            Z     0.0011    0.0032   -0.0004   -0.0037   -0.0036   -0.0002
 AT.  16 SI X    -0.0005   -0.0023   -0.0010    0.0025   -0.0026   -0.0005
            Y    -0.0019    0.0041   -0.0001   -0.0029    0.0040   -0.0001
            Z    -0.0011    0.0032    0.0004   -0.0037    0.0036   -0.0002
 AT.  17 SI X     0.0011    0.0006    0.0000    0.0000   -0.0003    0.0000
            Y     0.0000    0.0000    0.0012   -0.0004    0.0000   -0.0004
            Z     0.0013   -0.0053    0.0000    0.0000    0.0052    0.0000
 AT.  18 SI X     0.0011   -0.0006    0.0000    0.0000   -0.0003    0.0000
            Y     0.0000    0.0000    0.0012    0.0004    0.0000    0.0004
            Z    -0.0013   -0.0053    0.0000    0.0000   -0.0052    0.0000
 AT.  19 SI X     0.0011    0.0006    0.0000    0.0000    0.0003    0.0000
            Y     0.0000    0.0000    0.0012   -0.0004    0.0000    0.0004
            Z     0.0013   -0.0053    0.0000    0.0000   -0.0052    0.0000
 AT.  20 SI X     0.0011   -0.0006    0.0000    0.0000    0.0003    0.0000
            Y     0.0000    0.0000    0.0012    0.0004    0.0000   -0.0004
            Z    -0.0013   -0.0053    0.0000    0.0000    0.0052    0.0000
 AT.  21 CA X     0.0004   -0.0025   -0.0026    0.0001    0.0008    0.0010
            Y    -0.0010   -0.0004    0.0000   -0.0028   -0.0007   -0.0010
            Z    -0.0013    0.0007    0.0011   -0.0008    0.0027    0.0021
 AT.  22 CA X     0.0004    0.0025   -0.0026   -0.0001    0.0008   -0.0010
            Y    -0.0010    0.0004    0.0000    0.0028   -0.0007    0.0010
            Z     0.0013    0.0007   -0.0011   -0.0008   -0.0027    0.0021
 AT.  23 CA X     0.0004    0.0025    0.0026    0.0001    0.0008    0.0010
            Y     0.0010   -0.0004    0.0000    0.0028    0.0007    0.0010
            Z     0.0013    0.0007    0.0011    0.0008   -0.0027   -0.0021
 AT.  24 CA X     0.0004   -0.0025    0.0026   -0.0001    0.0008   -0.0010
            Y     0.0010    0.0004    0.0000   -0.0028    0.0007   -0.0010
            Z    -0.0013    0.0007   -0.0011    0.0008    0.0027   -0.0021
 AT.  25 CA X     0.0004   -0.0025   -0.0026    0.0001   -0.0008   -0.0010
            Y    -0.0010   -0.0004    0.0000   -0.0028    0.0007    0.0010
            Z    -0.0013    0.0007    0.0011   -0.0008   -0.0027   -0.0021
 AT.  26 CA X     0.0004    0.0025   -0.0026   -0.0001   -0.0008    0.0010
            Y    -0.0010    0.0004    0.0000    0.0028    0.0007   -0.0010
            Z     0.0013    0.0007   -0.0011   -0.0008    0.0027   -0.0021
 AT.  27 CA X     0.0004    0.0025    0.0026    0.0001   -0.0008   -0.0010
            Y     0.0010   -0.0004    0.0000    0.0028   -0.0007   -0.0010
            Z     0.0013    0.0007    0.0011    0.0008    0.0027    0.0021
 AT.  28 CA X     0.0004   -0.0025    0.0026   -0.0001   -0.0008    0.0010
            Y     0.0010    0.0004    0.0000   -0.0028   -0.0007    0.0010
            Z    -0.0013    0.0007   -0.0011    0.0008   -0.0027    0.0021
 AT.  29 CA X    -0.0028    0.0028    0.0033   -0.0029    0.0000    0.0000
            Y    -0.0010    0.0009    0.0007   -0.0005    0.0000    0.0000
            Z    -0.0003    0.0004    0.0014   -0.0028    0.0000    0.0000
 AT.  30 CA X    -0.0028   -0.0028    0.0033    0.0029    0.0000    0.0000
            Y    -0.0010   -0.0009    0.0007    0.0005    0.0000    0.0000
            Z     0.0003    0.0004   -0.0014   -0.0028    0.0000    0.0000
 AT.  31 CA X    -0.0028   -0.0028   -0.0033   -0.0029    0.0000    0.0000
            Y     0.0010    0.0009    0.0007    0.0005    0.0000    0.0000
            Z     0.0003    0.0004    0.0014    0.0028    0.0000    0.0000
 AT.  32 CA X    -0.0028    0.0028   -0.0033    0.0029    0.0000    0.0000
            Y     0.0010   -0.0009    0.0007   -0.0005    0.0000    0.0000
            Z    -0.0003    0.0004   -0.0014    0.0028    0.0000    0.0000
 AT.  33 CA X    -0.0015    0.0019    0.0015   -0.0007   -0.0017   -0.0013
            Y     0.0000    0.0003    0.0003    0.0001   -0.0001   -0.0002
            Z     0.0006   -0.0005   -0.0012    0.0004    0.0014    0.0018
 AT.  34 CA X    -0.0015   -0.0019    0.0015    0.0007   -0.0017    0.0013
            Y     0.0000   -0.0003    0.0003   -0.0001   -0.0001    0.0002
            Z    -0.0006   -0.0005    0.0012    0.0004   -0.0014    0.0018
 AT.  35 CA X    -0.0015   -0.0019   -0.0015   -0.0007   -0.0017   -0.0013
            Y     0.0000    0.0003    0.0003   -0.0001    0.0001    0.0002
            Z    -0.0006   -0.0005   -0.0012   -0.0004   -0.0014   -0.0018
 AT.  36 CA X    -0.0015    0.0019   -0.0015    0.0007   -0.0017    0.0013
            Y     0.0000   -0.0003    0.0003    0.0001    0.0001   -0.0002
            Z     0.0006   -0.0005    0.0012   -0.0004    0.0014   -0.0018
 AT.  37 CA X    -0.0015    0.0019    0.0015   -0.0007    0.0017    0.0013
            Y     0.0000    0.0003    0.0003    0.0001    0.0001    0.0002
            Z     0.0006   -0.0005   -0.0012    0.0004   -0.0014   -0.0018
 AT.  38 CA X    -0.0015   -0.0019    0.0015    0.0007    0.0017   -0.0013
            Y     0.0000   -0.0003    0.0003   -0.0001    0.0001   -0.0002
            Z    -0.0006   -0.0005    0.0012    0.0004    0.0014   -0.0018
 AT.  39 CA X    -0.0015   -0.0019   -0.0015   -0.0007    0.0017    0.0013
            Y     0.0000    0.0003    0.0003   -0.0001   -0.0001   -0.0002
            Z    -0.0006   -0.0005   -0.0012   -0.0004    0.0014    0.0018
 AT.  40 CA X    -0.0015    0.0019   -0.0015    0.0007    0.0017   -0.0013
            Y     0.0000   -0.0003    0.0003    0.0001   -0.0001    0.0002
            Z     0.0006   -0.0005    0.0012   -0.0004   -0.0014    0.0018
 AT.  41 CA X     0.0011   -0.0016   -0.0009    0.0014    0.0012    0.0009
            Y     0.0002    0.0002   -0.0004    0.0028   -0.0005    0.0003
            Z     0.0015   -0.0009   -0.0022    0.0010    0.0000    0.0013
 AT.  42 CA X     0.0011    0.0016   -0.0009   -0.0014    0.0012   -0.0009
            Y     0.0002   -0.0002   -0.0004   -0.0028   -0.0005   -0.0003
            Z    -0.0015   -0.0009    0.0022    0.0010    0.0000    0.0013
 AT.  43 CA X     0.0011    0.0016    0.0009    0.0014    0.0012    0.0009
            Y    -0.0002    0.0002   -0.0004   -0.0028    0.0005   -0.0003
            Z    -0.0015   -0.0009   -0.0022   -0.0010    0.0000   -0.0013
 AT.  44 CA X     0.0011   -0.0016    0.0009   -0.0014    0.0012   -0.0009
            Y    -0.0002   -0.0002   -0.0004    0.0028    0.0005    0.0003
            Z     0.0015   -0.0009    0.0022   -0.0010    0.0000   -0.0013
 AT.  45 CA X     0.0011   -0.0016   -0.0009    0.0014   -0.0012   -0.0009
            Y     0.0002    0.0002   -0.0004    0.0028    0.0005   -0.0003
            Z     0.0015   -0.0009   -0.0022    0.0010    0.0000   -0.0013
 AT.  46 CA X     0.0011    0.0016   -0.0009   -0.0014   -0.0012    0.0009
            Y     0.0002   -0.0002   -0.0004   -0.0028    0.0005    0.0003
            Z    -0.0015   -0.0009    0.0022    0.0010    0.0000   -0.0013
 AT.  47 CA X     0.0011    0.0016    0.0009    0.0014   -0.0012   -0.0009
            Y    -0.0002    0.0002   -0.0004   -0.0028   -0.0005    0.0003
            Z    -0.0015   -0.0009   -0.0022   -0.0010    0.0000    0.0013
 AT.  48 CA X     0.0011   -0.0016    0.0009   -0.0014   -0.0012    0.0009
            Y    -0.0002   -0.0002   -0.0004    0.0028   -0.0005   -0.0003
            Z     0.0015   -0.0009    0.0022   -0.0010    0.0000    0.0013
 AT.  49 CA X     0.0001    0.0004    0.0000    0.0000   -0.0004    0.0000
            Y     0.0000    0.0000   -0.0002    0.0003    0.0000    0.0001
            Z    -0.0002   -0.0003    0.0000    0.0000    0.0003    0.0000
 AT.  50 CA X     0.0001   -0.0004    0.0000    0.0000   -0.0004    0.0000
            Y     0.0000    0.0000   -0.0002   -0.0003    0.0000   -0.0001
            Z     0.0002   -0.0003    0.0000    0.0000   -0.0003    0.0000
 AT.  51 CA X     0.0001    0.0004    0.0000    0.0000    0.0004    0.0000
            Y     0.0000    0.0000   -0.0002    0.0003    0.0000   -0.0001
            Z    -0.0002   -0.0003    0.0000    0.0000   -0.0003    0.0000
 AT.  52 CA X     0.0001   -0.0004    0.0000    0.0000    0.0004    0.0000
            Y     0.0000    0.0000   -0.0002   -0.0003    0.0000    0.0001
            Z     0.0002   -0.0003    0.0000    0.0000    0.0003    0.0000
 AT.  53 O  X    -0.0149    0.0121    0.0124   -0.0110   -0.0115   -0.0142
            Y     0.0091   -0.0077   -0.0101    0.0116    0.0081    0.0112
            Z    -0.0020    0.0026   -0.0013    0.0070   -0.0128   -0.0087
 AT.  54 O  X    -0.0149   -0.0121    0.0124    0.0110   -0.0115    0.0142
            Y     0.0091    0.0077   -0.0101   -0.0116    0.0081   -0.0112
            Z     0.0020    0.0026    0.0013    0.0070    0.0128   -0.0087
 AT.  55 O  X    -0.0149   -0.0121   -0.0124   -0.0110   -0.0115   -0.0142
            Y    -0.0091   -0.0077   -0.0101   -0.0116   -0.0081   -0.0112
            Z     0.0020    0.0026   -0.0013   -0.0070    0.0128    0.0087
 AT.  56 O  X    -0.0149    0.0121   -0.0124    0.0110   -0.0115    0.0142
            Y    -0.0091    0.0077   -0.0101    0.0116   -0.0081    0.0112
            Z    -0.0020    0.0026    0.0013   -0.0070   -0.0128    0.0087
 AT.  57 O  X    -0.0149    0.0121    0.0124   -0.0110    0.0115    0.0142
            Y     0.0091   -0.0077   -0.0101    0.0116   -0.0081   -0.0112
            Z    -0.0020    0.0026   -0.0013    0.0070    0.0128    0.0087
 AT.  58 O  X    -0.0149   -0.0121    0.0124    0.0110    0.0115   -0.0142
            Y     0.0091    0.0077   -0.0101   -0.0116   -0.0081    0.0112
            Z     0.0020    0.0026    0.0013    0.0070   -0.0128    0.0087
 AT.  59 O  X    -0.0149   -0.0121   -0.0124   -0.0110    0.0115    0.0142
            Y    -0.0091   -0.0077   -0.0101   -0.0116    0.0081    0.0112
            Z     0.0020    0.0026   -0.0013   -0.0070   -0.0128   -0.0087
 AT.  60 O  X    -0.0149    0.0121   -0.0124    0.0110    0.0115   -0.0142
            Y    -0.0091    0.0077   -0.0101    0.0116    0.0081   -0.0112
            Z    -0.0020    0.0026    0.0013   -0.0070    0.0128   -0.0087
 AT.  61 O  X    -0.0164    0.0142    0.0156   -0.0137   -0.0139   -0.0166
            Y    -0.0024    0.0012    0.0052   -0.0112    0.0041   -0.0002
            Z    -0.0099    0.0104    0.0099   -0.0052   -0.0040   -0.0053
 AT.  62 O  X    -0.0164   -0.0142    0.0156    0.0137   -0.0139    0.0166
            Y    -0.0024   -0.0012    0.0052    0.0112    0.0041    0.0002
            Z     0.0099    0.0104   -0.0099   -0.0052    0.0040   -0.0053
 AT.  63 O  X    -0.0164   -0.0142   -0.0156   -0.0137   -0.0139   -0.0166
            Y     0.0024    0.0012    0.0052    0.0112   -0.0041    0.0002
            Z     0.0099    0.0104    0.0099    0.0052    0.0040    0.0053
 AT.  64 O  X    -0.0164    0.0142   -0.0156    0.0137   -0.0139    0.0166
            Y     0.0024   -0.0012    0.0052   -0.0112   -0.0041   -0.0002
            Z    -0.0099    0.0104   -0.0099    0.0052   -0.0040    0.0053
 AT.  65 O  X    -0.0164    0.0142    0.0156   -0.0137    0.0139    0.0166
            Y    -0.0024    0.0012    0.0052   -0.0112   -0.0041    0.0002
            Z    -0.0099    0.0104    0.0099   -0.0052    0.0040    0.0053
 AT.  66 O  X    -0.0164   -0.0142    0.0156    0.0137    0.0139   -0.0166
            Y    -0.0024   -0.0012    0.0052    0.0112   -0.0041   -0.0002
            Z     0.0099    0.0104   -0.0099   -0.0052   -0.0040    0.0053
 AT.  67 O  X    -0.0164   -0.0142   -0.0156   -0.0137    0.0139    0.0166
            Y     0.0024    0.0012    0.0052    0.0112    0.0041   -0.0002
            Z     0.0099    0.0104    0.0099    0.0052   -0.0040   -0.0053
 AT.  68 O  X    -0.0164    0.0142   -0.0156    0.0137    0.0139   -0.0166
            Y     0.0024   -0.0012    0.0052   -0.0112    0.0041    0.0002
            Z    -0.0099    0.0104   -0.0099    0.0052    0.0040   -0.0053
 AT.  69 O  X    -0.0101    0.0117    0.0139   -0.0112   -0.0072   -0.0108
            Y    -0.0048    0.0039    0.0031   -0.0018   -0.0108   -0.0101
            Z     0.0094   -0.0103   -0.0083    0.0020    0.0091    0.0083
 AT.  70 O  X    -0.0101   -0.0117    0.0139    0.0112   -0.0072    0.0108
            Y    -0.0048   -0.0039    0.0031    0.0018   -0.0108    0.0101
            Z    -0.0094   -0.0103    0.0083    0.0020   -0.0091    0.0083
 AT.  71 O  X    -0.0101   -0.0117   -0.0139   -0.0112   -0.0072   -0.0108
            Y     0.0048    0.0039    0.0031    0.0018    0.0108    0.0101
            Z    -0.0094   -0.0103   -0.0083   -0.0020   -0.0091   -0.0083
 AT.  72 O  X    -0.0101    0.0117   -0.0139    0.0112   -0.0072    0.0108
            Y     0.0048   -0.0039    0.0031   -0.0018    0.0108   -0.0101
            Z     0.0094   -0.0103    0.0083   -0.0020    0.0091   -0.0083
 AT.  73 O  X    -0.0101    0.0117    0.0139   -0.0112    0.0072    0.0108
            Y    -0.0048    0.0039    0.0031   -0.0018    0.0108    0.0101
            Z     0.0094   -0.0103   -0.0083    0.0020   -0.0091   -0.0083
 AT.  74 O  X    -0.0101   -0.0117    0.0139    0.0112    0.0072   -0.0108
            Y    -0.0048   -0.0039    0.0031    0.0018    0.0108   -0.0101
            Z    -0.0094   -0.0103    0.0083    0.0020    0.0091   -0.0083
 AT.  75 O  X    -0.0101   -0.0117   -0.0139   -0.0112    0.0072    0.0108
            Y     0.0048    0.0039    0.0031    0.0018   -0.0108   -0.0101
            Z    -0.0094   -0.0103   -0.0083   -0.0020    0.0091    0.0083
 AT.  76 O  X    -0.0101    0.0117   -0.0139    0.0112    0.0072   -0.0108
            Y     0.0048   -0.0039    0.0031   -0.0018   -0.0108    0.0101
            Z     0.0094   -0.0103    0.0083   -0.0020   -0.0091    0.0083
 AT.  77 O  X     0.0164   -0.0156   -0.0170    0.0142    0.0120    0.0151
            Y     0.0006   -0.0010    0.0010   -0.0033   -0.0017   -0.0031
            Z    -0.0015    0.0012   -0.0014    0.0043   -0.0091   -0.0065
 AT.  78 O  X     0.0164    0.0156   -0.0170   -0.0142    0.0120   -0.0151
            Y     0.0006    0.0010    0.0010    0.0033   -0.0017    0.0031
            Z     0.0015    0.0012    0.0014    0.0043    0.0091   -0.0065
 AT.  79 O  X     0.0164    0.0156    0.0170    0.0142    0.0120    0.0151
            Y    -0.0006   -0.0010    0.0010    0.0033    0.0017    0.0031
            Z     0.0015    0.0012   -0.0014   -0.0043    0.0091    0.0065
 AT.  80 O  X     0.0164   -0.0156    0.0170   -0.0142    0.0120   -0.0151
            Y    -0.0006    0.0010    0.0010   -0.0033    0.0017   -0.0031
            Z    -0.0015    0.0012    0.0014   -0.0043   -0.0091    0.0065
 AT.  81 O  X     0.0164   -0.0156   -0.0170    0.0142   -0.0120   -0.0151
            Y     0.0006   -0.0010    0.0010   -0.0033    0.0017    0.0031
            Z    -0.0015    0.0012   -0.0014    0.0043    0.0091    0.0065
 AT.  82 O  X     0.0164    0.0156   -0.0170   -0.0142   -0.0120    0.0151
            Y     0.0006    0.0010    0.0010    0.0033    0.0017   -0.0031
            Z     0.0015    0.0012    0.0014    0.0043   -0.0091    0.0065
 AT.  83 O  X     0.0164    0.0156    0.0170    0.0142   -0.0120   -0.0151
            Y    -0.0006   -0.0010    0.0010    0.0033   -0.0017   -0.0031
            Z     0.0015    0.0012   -0.0014   -0.0043   -0.0091   -0.0065
 AT.  84 O  X     0.0164   -0.0156    0.0170   -0.0142   -0.0120    0.0151
            Y    -0.0006    0.0010    0.0010   -0.0033   -0.0017    0.0031
            Z    -0.0015    0.0012    0.0014   -0.0043    0.0091   -0.0065
 AT.  85 O  X     0.0025    0.0022    0.0007    0.0035   -0.0022   -0.0006
            Y    -0.0029    0.0062   -0.0020    0.0076   -0.0061    0.0010
            Z     0.0029    0.0004   -0.0008    0.0006   -0.0006    0.0004
 AT.  86 O  X     0.0025   -0.0022    0.0007   -0.0035   -0.0022    0.0006
            Y    -0.0029   -0.0062   -0.0020   -0.0076   -0.0061   -0.0010
            Z    -0.0029    0.0004    0.0008    0.0006    0.0006    0.0004
 AT.  87 O  X     0.0025   -0.0022   -0.0007    0.0035   -0.0022   -0.0006
            Y     0.0029    0.0062   -0.0020   -0.0076    0.0061   -0.0010
            Z    -0.0029    0.0004   -0.0008   -0.0006    0.0006   -0.0004
 AT.  88 O  X     0.0025    0.0022   -0.0007   -0.0035   -0.0022    0.0006
            Y     0.0029   -0.0062   -0.0020    0.0076    0.0061    0.0010
            Z     0.0029    0.0004    0.0008   -0.0006   -0.0006   -0.0004
 AT.  89 O  X     0.0025    0.0022    0.0007    0.0035    0.0022    0.0006
            Y    -0.0029    0.0062   -0.0020    0.0076    0.0061   -0.0010
            Z     0.0029    0.0004   -0.0008    0.0006    0.0006   -0.0004
 AT.  90 O  X     0.0025   -0.0022    0.0007   -0.0035    0.0022   -0.0006
            Y    -0.0029   -0.0062   -0.0020   -0.0076    0.0061    0.0010
            Z    -0.0029    0.0004    0.0008    0.0006   -0.0006   -0.0004
 AT.  91 O  X     0.0025   -0.0022   -0.0007    0.0035    0.0022    0.0006
            Y     0.0029    0.0062   -0.0020   -0.0076   -0.0061    0.0010
            Z    -0.0029    0.0004   -0.0008   -0.0006   -0.0006    0.0004
 AT.  92 O  X     0.0025    0.0022   -0.0007   -0.0035    0.0022   -0.0006
            Y     0.0029   -0.0062   -0.0020    0.0076   -0.0061   -0.0010
            Z     0.0029    0.0004    0.0008   -0.0006    0.0006    0.0004
 AT.  93 O  X     0.0030   -0.0003   -0.0029    0.0040    0.0000    0.0021
            Y     0.0015   -0.0052    0.0009   -0.0049    0.0053   -0.0006
            Z     0.0008   -0.0033    0.0031   -0.0062    0.0037   -0.0013
 AT.  94 O  X     0.0030    0.0003   -0.0029   -0.0040    0.0000   -0.0021
            Y     0.0015    0.0052    0.0009    0.0049    0.0053    0.0006
            Z    -0.0008   -0.0033   -0.0031   -0.0062   -0.0037   -0.0013
 AT.  95 O  X     0.0030    0.0003    0.0029    0.0040    0.0000    0.0021
            Y    -0.0015   -0.0052    0.0009    0.0049   -0.0053    0.0006
            Z    -0.0008   -0.0033    0.0031    0.0062   -0.0037    0.0013
 AT.  96 O  X     0.0030   -0.0003    0.0029   -0.0040    0.0000   -0.0021
            Y    -0.0015    0.0052    0.0009   -0.0049   -0.0053   -0.0006
            Z     0.0008   -0.0033   -0.0031    0.0062    0.0037    0.0013
 AT.  97 O  X     0.0030   -0.0003   -0.0029    0.0040    0.0000   -0.0021
            Y     0.0015   -0.0052    0.0009   -0.0049   -0.0053    0.0006
            Z     0.0008   -0.0033    0.0031   -0.0062   -0.0037    0.0013
 AT.  98 O  X     0.0030    0.0003   -0.0029   -0.0040    0.0000    0.0021
            Y     0.0015    0.0052    0.0009    0.0049   -0.0053   -0.0006
            Z    -0.0008   -0.0033   -0.0031   -0.0062    0.0037    0.0013
 AT.  99 O  X     0.0030    0.0003    0.0029    0.0040    0.0000   -0.0021
            Y    -0.0015   -0.0052    0.0009    0.0049    0.0053   -0.0006
            Z    -0.0008   -0.0033    0.0031    0.0062    0.0037   -0.0013
 AT. 100 O  X     0.0030   -0.0003    0.0029   -0.0040    0.0000    0.0021
            Y    -0.0015    0.0052    0.0009   -0.0049    0.0053    0.0006
            Z     0.0008   -0.0033   -0.0031    0.0062   -0.0037   -0.0013
 AT. 101 O  X    -0.0042    0.0057   -0.0023    0.0004   -0.0062    0.0007
            Y    -0.0023    0.0028    0.0015   -0.0015   -0.0027   -0.0006
            Z    -0.0034    0.0037   -0.0011    0.0040   -0.0041    0.0002
 AT. 102 O  X    -0.0042   -0.0057   -0.0023   -0.0004   -0.0062   -0.0007
            Y    -0.0023   -0.0028    0.0015    0.0015   -0.0027    0.0006
            Z     0.0034    0.0037    0.0011    0.0040    0.0041    0.0002
 AT. 103 O  X    -0.0042   -0.0057    0.0023    0.0004   -0.0062    0.0007
            Y     0.0023    0.0028    0.0015    0.0015    0.0027    0.0006
            Z     0.0034    0.0037   -0.0011   -0.0040    0.0041   -0.0002
 AT. 104 O  X    -0.0042    0.0057    0.0023   -0.0004   -0.0062   -0.0007
            Y     0.0023   -0.0028    0.0015   -0.0015    0.0027   -0.0006
            Z    -0.0034    0.0037    0.0011   -0.0040   -0.0041   -0.0002
 AT. 105 O  X    -0.0042    0.0057   -0.0023    0.0004    0.0062   -0.0007
            Y    -0.0023    0.0028    0.0015   -0.0015    0.0027    0.0006
            Z    -0.0034    0.0037   -0.0011    0.0040    0.0041   -0.0002
 AT. 106 O  X    -0.0042   -0.0057   -0.0023   -0.0004    0.0062    0.0007
            Y    -0.0023   -0.0028    0.0015    0.0015    0.0027   -0.0006
            Z     0.0034    0.0037    0.0011    0.0040   -0.0041   -0.0002
 AT. 107 O  X    -0.0042   -0.0057    0.0023    0.0004    0.0062   -0.0007
            Y     0.0023    0.0028    0.0015    0.0015   -0.0027   -0.0006
            Z     0.0034    0.0037   -0.0011   -0.0040   -0.0041    0.0002
 AT. 108 O  X    -0.0042    0.0057    0.0023   -0.0004    0.0062    0.0007
            Y     0.0023   -0.0028    0.0015   -0.0015   -0.0027    0.0006
            Z    -0.0034    0.0037    0.0011   -0.0040    0.0041    0.0002
 AT. 109 O  X     0.0005   -0.0038    0.0008   -0.0027    0.0041    0.0000
            Y    -0.0030    0.0043   -0.0006    0.0038   -0.0047    0.0003
            Z     0.0016   -0.0029    0.0028   -0.0037    0.0034   -0.0016
 AT. 110 O  X     0.0005    0.0038    0.0008    0.0027    0.0041    0.0000
            Y    -0.0030   -0.0043   -0.0006   -0.0038   -0.0047   -0.0003
            Z    -0.0016   -0.0029   -0.0028   -0.0037   -0.0034   -0.0016
 AT. 111 O  X     0.0005    0.0038   -0.0008   -0.0027    0.0041    0.0000
            Y     0.0030    0.0043   -0.0006   -0.0038    0.0047   -0.0003
            Z    -0.0016   -0.0029    0.0028    0.0037   -0.0034    0.0016
 AT. 112 O  X     0.0005   -0.0038   -0.0008    0.0027    0.0041    0.0000
            Y     0.0030   -0.0043   -0.0006    0.0038    0.0047    0.0003
            Z     0.0016   -0.0029   -0.0028    0.0037    0.0034    0.0016
 AT. 113 O  X     0.0005   -0.0038    0.0008   -0.0027   -0.0041    0.0000
            Y    -0.0030    0.0043   -0.0006    0.0038    0.0047   -0.0003
            Z     0.0016   -0.0029    0.0028   -0.0037   -0.0034    0.0016
 AT. 114 O  X     0.0005    0.0038    0.0008    0.0027   -0.0041    0.0000
            Y    -0.0030   -0.0043   -0.0006   -0.0038    0.0047    0.0003
            Z    -0.0016   -0.0029   -0.0028   -0.0037    0.0034    0.0016
 AT. 115 O  X     0.0005    0.0038   -0.0008   -0.0027   -0.0041    0.0000
            Y     0.0030    0.0043   -0.0006   -0.0038   -0.0047    0.0003
            Z    -0.0016   -0.0029    0.0028    0.0037    0.0034   -0.0016
 AT. 116 O  X     0.0005   -0.0038   -0.0008    0.0027   -0.0041    0.0000
            Y     0.0030   -0.0043   -0.0006    0.0038   -0.0047   -0.0003
            Z     0.0016   -0.0029   -0.0028    0.0037   -0.0034   -0.0016
 AT. 117 O  X     0.0008   -0.0029    0.0008   -0.0034    0.0029    0.0000
            Y     0.0038   -0.0048   -0.0010    0.0044    0.0052    0.0002
            Z    -0.0003    0.0007    0.0011   -0.0011   -0.0007   -0.0005
 AT. 118 O  X     0.0008    0.0029    0.0008    0.0034    0.0029    0.0000
            Y     0.0038    0.0048   -0.0010   -0.0044    0.0052   -0.0002
            Z     0.0003    0.0007   -0.0011   -0.0011    0.0007   -0.0005
 AT. 119 O  X     0.0008    0.0029   -0.0008   -0.0034    0.0029    0.0000
            Y    -0.0038   -0.0048   -0.0010   -0.0044   -0.0052   -0.0002
            Z     0.0003    0.0007    0.0011    0.0011    0.0007    0.0005
 AT. 120 O  X     0.0008   -0.0029   -0.0008    0.0034    0.0029    0.0000
            Y    -0.0038    0.0048   -0.0010    0.0044   -0.0052    0.0002
            Z    -0.0003    0.0007   -0.0011    0.0011   -0.0007    0.0005
 AT. 121 O  X     0.0008   -0.0029    0.0008   -0.0034   -0.0029    0.0000
            Y     0.0038   -0.0048   -0.0010    0.0044   -0.0052   -0.0002
            Z    -0.0003    0.0007    0.0011   -0.0011    0.0007    0.0005
 AT. 122 O  X     0.0008    0.0029    0.0008    0.0034   -0.0029    0.0000
            Y     0.0038    0.0048   -0.0010   -0.0044   -0.0052    0.0002
            Z     0.0003    0.0007   -0.0011   -0.0011   -0.0007    0.0005
 AT. 123 O  X     0.0008    0.0029   -0.0008   -0.0034   -0.0029    0.0000
            Y    -0.0038   -0.0048   -0.0010   -0.0044    0.0052    0.0002
            Z     0.0003    0.0007    0.0011    0.0011   -0.0007   -0.0005
 AT. 124 O  X     0.0008   -0.0029   -0.0008    0.0034   -0.0029    0.0000
            Y    -0.0038    0.0048   -0.0010    0.0044    0.0052   -0.0002
            Z    -0.0003    0.0007   -0.0011    0.0011    0.0007   -0.0005

 FREQ(CM**-1)    567.38    567.45    570.86    572.37    575.89    576.97

 AT.   1 SI X     0.0066   -0.0088   -0.0080   -0.0034   -0.0136    0.0002
            Y     0.0009   -0.0008    0.0021   -0.0020   -0.0024   -0.0009
            Z    -0.0030    0.0025   -0.0027    0.0026   -0.0002    0.0003
 AT.   2 SI X    -0.0066   -0.0088    0.0080   -0.0034   -0.0136    0.0002
            Y    -0.0009   -0.0008   -0.0021   -0.0020   -0.0024   -0.0009
            Z    -0.0030   -0.0025   -0.0027   -0.0026    0.0002   -0.0003
 AT.   3 SI X    -0.0066   -0.0088    0.0080   -0.0034    0.0136   -0.0002
            Y     0.0009    0.0008    0.0021    0.0020   -0.0024   -0.0009
            Z    -0.0030   -0.0025   -0.0027   -0.0026   -0.0002    0.0003
 AT.   4 SI X     0.0066   -0.0088   -0.0080   -0.0034    0.0136   -0.0002
            Y    -0.0009    0.0008   -0.0021    0.0020   -0.0024   -0.0009
            Z    -0.0030    0.0025   -0.0027    0.0026    0.0002   -0.0003
 AT.   5 SI X     0.0066    0.0088    0.0080   -0.0034    0.0136    0.0002
            Y     0.0009    0.0008   -0.0021   -0.0020    0.0024   -0.0009
            Z    -0.0030   -0.0025    0.0027    0.0026    0.0002    0.0003
 AT.   6 SI X    -0.0066    0.0088   -0.0080   -0.0034    0.0136    0.0002
            Y    -0.0009    0.0008    0.0021   -0.0020    0.0024   -0.0009
            Z    -0.0030    0.0025    0.0027   -0.0026   -0.0002   -0.0003
 AT.   7 SI X    -0.0066    0.0088   -0.0080   -0.0034   -0.0136   -0.0002
            Y     0.0009   -0.0008   -0.0021    0.0020    0.0024   -0.0009
            Z    -0.0030    0.0025    0.0027   -0.0026    0.0002    0.0003
 AT.   8 SI X     0.0066    0.0088    0.0080   -0.0034   -0.0136   -0.0002
            Y    -0.0009   -0.0008    0.0021    0.0020    0.0024   -0.0009
            Z    -0.0030   -0.0025    0.0027    0.0026   -0.0002   -0.0003
 AT.   9 SI X    -0.0049    0.0044   -0.0032    0.0050    0.0003    0.0081
            Y    -0.0071    0.0065   -0.0056    0.0064    0.0018   -0.0006
            Z     0.0065   -0.0060    0.0053   -0.0067   -0.0018    0.0006
 AT.  10 SI X     0.0049    0.0044    0.0032    0.0050    0.0003    0.0081
            Y     0.0071    0.0065    0.0056    0.0064    0.0018   -0.0006
            Z     0.0065    0.0060    0.0053    0.0067    0.0018   -0.0006
 AT.  11 SI X     0.0049    0.0044    0.0032    0.0050   -0.0003   -0.0081
            Y    -0.0071   -0.0065   -0.0056   -0.0064    0.0018   -0.0006
            Z     0.0065    0.0060    0.0053    0.0067   -0.0018    0.0006
 AT.  12 SI X    -0.0049    0.0044   -0.0032    0.0050   -0.0003   -0.0081
            Y     0.0071   -0.0065    0.0056   -0.0064    0.0018   -0.0006
            Z     0.0065   -0.0060    0.0053   -0.0067    0.0018   -0.0006
 AT.  13 SI X    -0.0049   -0.0044    0.0032    0.0050   -0.0003    0.0081
            Y    -0.0071   -0.0065    0.0056    0.0064   -0.0018   -0.0006
            Z     0.0065    0.0060   -0.0053   -0.0067    0.0018    0.0006
 AT.  14 SI X     0.0049   -0.0044   -0.0032    0.0050   -0.0003    0.0081
            Y     0.0071   -0.0065   -0.0056    0.0064   -0.0018   -0.0006
            Z     0.0065   -0.0060   -0.0053    0.0067   -0.0018   -0.0006
 AT.  15 SI X     0.0049   -0.0044   -0.0032    0.0050    0.0003   -0.0081
            Y    -0.0071    0.0065    0.0056   -0.0064   -0.0018   -0.0006
            Z     0.0065   -0.0060   -0.0053    0.0067    0.0018    0.0006
 AT.  16 SI X    -0.0049   -0.0044    0.0032    0.0050    0.0003   -0.0081
            Y     0.0071    0.0065   -0.0056   -0.0064   -0.0018   -0.0006
            Z     0.0065    0.0060   -0.0053   -0.0067   -0.0018   -0.0006
 AT.  17 SI X    -0.0003    0.0006   -0.0009   -0.0001    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000    0.0009   -0.0148
            Z    -0.0087    0.0078   -0.0059    0.0078    0.0000    0.0000
 AT.  18 SI X     0.0003    0.0006    0.0009   -0.0001    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000    0.0009   -0.0148
            Z    -0.0087   -0.0078   -0.0059   -0.0078    0.0000    0.0000
 AT.  19 SI X    -0.0003   -0.0006    0.0009   -0.0001    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0009   -0.0148
            Z    -0.0087   -0.0078    0.0059    0.0078    0.0000    0.0000
 AT.  20 SI X     0.0003   -0.0006   -0.0009   -0.0001    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0009   -0.0148
            Z    -0.0087    0.0078    0.0059   -0.0078    0.0000    0.0000
 AT.  21 CA X     0.0009   -0.0006    0.0004    0.0002    0.0008    0.0003
            Y    -0.0006    0.0008   -0.0004    0.0024    0.0036    0.0003
            Z    -0.0011    0.0004   -0.0009    0.0002   -0.0006    0.0006
 AT.  22 CA X    -0.0009   -0.0006   -0.0004    0.0002    0.0008    0.0003
            Y     0.0006    0.0008    0.0004    0.0024    0.0036    0.0003
            Z    -0.0011   -0.0004   -0.0009   -0.0002    0.0006   -0.0006
 AT.  23 CA X    -0.0009   -0.0006   -0.0004    0.0002   -0.0008   -0.0003
            Y    -0.0006   -0.0008   -0.0004   -0.0024    0.0036    0.0003
            Z    -0.0011   -0.0004   -0.0009   -0.0002   -0.0006    0.0006
 AT.  24 CA X     0.0009   -0.0006    0.0004    0.0002   -0.0008   -0.0003
            Y     0.0006   -0.0008    0.0004   -0.0024    0.0036    0.0003
            Z    -0.0011    0.0004   -0.0009    0.0002    0.0006   -0.0006
 AT.  25 CA X     0.0009    0.0006   -0.0004    0.0002   -0.0008    0.0003
            Y    -0.0006   -0.0008    0.0004    0.0024   -0.0036    0.0003
            Z    -0.0011   -0.0004    0.0009    0.0002    0.0006    0.0006
 AT.  26 CA X    -0.0009    0.0006    0.0004    0.0002   -0.0008    0.0003
            Y     0.0006   -0.0008   -0.0004    0.0024   -0.0036    0.0003
            Z    -0.0011    0.0004    0.0009   -0.0002   -0.0006   -0.0006
 AT.  27 CA X    -0.0009    0.0006    0.0004    0.0002    0.0008   -0.0003
            Y    -0.0006    0.0008    0.0004   -0.0024   -0.0036    0.0003
            Z    -0.0011    0.0004    0.0009   -0.0002    0.0006    0.0006
 AT.  28 CA X     0.0009    0.0006   -0.0004    0.0002    0.0008   -0.0003
            Y     0.0006    0.0008   -0.0004   -0.0024   -0.0036    0.0003
            Z    -0.0011   -0.0004    0.0009    0.0002   -0.0006   -0.0006
 AT.  29 CA X    -0.0017    0.0000    0.0000    0.0012    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0002    0.0000   -0.0001
            Z    -0.0023    0.0000    0.0000    0.0029    0.0000    0.0007
 AT.  30 CA X     0.0017    0.0000    0.0000    0.0012    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0002    0.0000   -0.0001
            Z    -0.0023    0.0000    0.0000   -0.0029    0.0000   -0.0007
 AT.  31 CA X     0.0017    0.0000    0.0000    0.0012    0.0000    0.0000
            Y     0.0000    0.0000    0.0000   -0.0002    0.0000   -0.0001
            Z    -0.0023    0.0000    0.0000   -0.0029    0.0000    0.0007
 AT.  32 CA X    -0.0017    0.0000    0.0000    0.0012    0.0000    0.0000
            Y     0.0000    0.0000    0.0000   -0.0002    0.0000   -0.0001
            Z    -0.0023    0.0000    0.0000    0.0029    0.0000   -0.0007
 AT.  33 CA X     0.0004   -0.0002    0.0015   -0.0009    0.0010   -0.0013
            Y    -0.0001    0.0002    0.0000    0.0004    0.0000    0.0001
            Z     0.0009   -0.0013   -0.0002   -0.0005   -0.0009    0.0009
 AT.  34 CA X    -0.0004   -0.0002   -0.0015   -0.0009    0.0010   -0.0013
            Y     0.0001    0.0002    0.0000    0.0004    0.0000    0.0001
            Z     0.0009    0.0013   -0.0002    0.0005    0.0009   -0.0009
 AT.  35 CA X    -0.0004   -0.0002   -0.0015   -0.0009   -0.0010    0.0013
            Y    -0.0001   -0.0002    0.0000   -0.0004    0.0000    0.0001
            Z     0.0009    0.0013   -0.0002    0.0005   -0.0009    0.0009
 AT.  36 CA X     0.0004   -0.0002    0.0015   -0.0009   -0.0010    0.0013
            Y     0.0001   -0.0002    0.0000   -0.0004    0.0000    0.0001
            Z     0.0009   -0.0013   -0.0002   -0.0005    0.0009   -0.0009
 AT.  37 CA X     0.0004    0.0002   -0.0015   -0.0009   -0.0010   -0.0013
            Y    -0.0001   -0.0002    0.0000    0.0004    0.0000    0.0001
            Z     0.0009    0.0013    0.0002   -0.0005    0.0009    0.0009
 AT.  38 CA X    -0.0004    0.0002    0.0015   -0.0009   -0.0010   -0.0013
            Y     0.0001   -0.0002    0.0000    0.0004    0.0000    0.0001
            Z     0.0009   -0.0013    0.0002    0.0005   -0.0009   -0.0009
 AT.  39 CA X    -0.0004    0.0002    0.0015   -0.0009    0.0010    0.0013
            Y    -0.0001    0.0002    0.0000   -0.0004    0.0000    0.0001
            Z     0.0009   -0.0013    0.0002    0.0005    0.0009    0.0009
 AT.  40 CA X     0.0004    0.0002   -0.0015   -0.0009    0.0010    0.0013
            Y     0.0001    0.0002    0.0000   -0.0004    0.0000    0.0001
            Z     0.0009    0.0013    0.0002   -0.0005   -0.0009   -0.0009
 AT.  41 CA X    -0.0004    0.0002   -0.0003   -0.0005   -0.0012   -0.0012
            Y     0.0014   -0.0013    0.0018   -0.0026   -0.0018   -0.0021
            Z     0.0022   -0.0024   -0.0013    0.0002   -0.0007    0.0029
 AT.  42 CA X     0.0004    0.0002    0.0003   -0.0005   -0.0012   -0.0012
            Y    -0.0014   -0.0013   -0.0018   -0.0026   -0.0018   -0.0021
            Z     0.0022    0.0024   -0.0013   -0.0002    0.0007   -0.0029
 AT.  43 CA X     0.0004    0.0002    0.0003   -0.0005    0.0012    0.0012
            Y     0.0014    0.0013    0.0018    0.0026   -0.0018   -0.0021
            Z     0.0022    0.0024   -0.0013   -0.0002   -0.0007    0.0029
 AT.  44 CA X    -0.0004    0.0002   -0.0003   -0.0005    0.0012    0.0012
            Y    -0.0014    0.0013   -0.0018    0.0026   -0.0018   -0.0021
            Z     0.0022   -0.0024   -0.0013    0.0002    0.0007   -0.0029
 AT.  45 CA X    -0.0004   -0.0002    0.0003   -0.0005    0.0012   -0.0012
            Y     0.0014    0.0013   -0.0018   -0.0026    0.0018   -0.0021
            Z     0.0022    0.0024    0.0013    0.0002    0.0007    0.0029
 AT.  46 CA X     0.0004   -0.0002   -0.0003   -0.0005    0.0012   -0.0012
            Y    -0.0014    0.0013    0.0018   -0.0026    0.0018   -0.0021
            Z     0.0022   -0.0024    0.0013   -0.0002   -0.0007   -0.0029
 AT.  47 CA X     0.0004   -0.0002   -0.0003   -0.0005   -0.0012    0.0012
            Y     0.0014   -0.0013   -0.0018    0.0026    0.0018   -0.0021
            Z     0.0022   -0.0024    0.0013   -0.0002    0.0007    0.0029
 AT.  48 CA X    -0.0004   -0.0002    0.0003   -0.0005   -0.0012    0.0012
            Y    -0.0014   -0.0013    0.0018    0.0026    0.0018   -0.0021
            Z     0.0022    0.0024    0.0013    0.0002   -0.0007   -0.0029
 AT.  49 CA X     0.0008   -0.0007    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0001    0.0016
            Z    -0.0001    0.0000    0.0013   -0.0016    0.0000    0.0000
 AT.  50 CA X    -0.0008   -0.0007    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000   -0.0001    0.0016
            Z    -0.0001    0.0000    0.0013    0.0016    0.0000    0.0000
 AT.  51 CA X     0.0008    0.0007    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000    0.0001    0.0016
            Z    -0.0001    0.0000   -0.0013   -0.0016    0.0000    0.0000
 AT.  52 CA X    -0.0008    0.0007    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0000    0.0000    0.0000    0.0001    0.0016
            Z    -0.0001    0.0000   -0.0013    0.0016    0.0000    0.0000
 AT.  53 O  X    -0.0042    0.0083    0.0105    0.0019    0.0139    0.0002
            Y     0.0067   -0.0081   -0.0018   -0.0049   -0.0127   -0.0010
            Z     0.0071   -0.0043    0.0075   -0.0086    0.0018   -0.0023
 AT.  54 O  X     0.0042    0.0083   -0.0105    0.0019    0.0139    0.0002
            Y    -0.0067   -0.0081    0.0018   -0.0049   -0.0127   -0.0010
            Z     0.0071    0.0043    0.0075    0.0086   -0.0018    0.0023
 AT.  55 O  X     0.0042    0.0083   -0.0105    0.0019   -0.0139   -0.0002
            Y     0.0067    0.0081   -0.0018    0.0049   -0.0127   -0.0010
            Z     0.0071    0.0043    0.0075    0.0086    0.0018   -0.0023
 AT.  56 O  X    -0.0042    0.0083    0.0105    0.0019   -0.0139   -0.0002
            Y    -0.0067    0.0081    0.0018    0.0049   -0.0127   -0.0010
            Z     0.0071   -0.0043    0.0075   -0.0086   -0.0018    0.0023
 AT.  57 O  X    -0.0042   -0.0083   -0.0105    0.0019   -0.0139    0.0002
            Y     0.0067    0.0081    0.0018   -0.0049    0.0127   -0.0010
            Z     0.0071    0.0043   -0.0075   -0.0086   -0.0018   -0.0023
 AT.  58 O  X     0.0042   -0.0083    0.0105    0.0019   -0.0139    0.0002
            Y    -0.0067    0.0081   -0.0018   -0.0049    0.0127   -0.0010
            Z     0.0071   -0.0043   -0.0075    0.0086    0.0018    0.0023
 AT.  59 O  X     0.0042   -0.0083    0.0105    0.0019    0.0139   -0.0002
            Y     0.0067   -0.0081    0.0018    0.0049    0.0127   -0.0010
            Z     0.0071   -0.0043   -0.0075    0.0086   -0.0018   -0.0023
 AT.  60 O  X    -0.0042   -0.0083   -0.0105    0.0019    0.0139   -0.0002
            Y    -0.0067   -0.0081   -0.0018    0.0049    0.0127   -0.0010
            Z     0.0071    0.0043   -0.0075   -0.0086    0.0018    0.0023
 AT.  61 O  X    -0.0064    0.0091    0.0086    0.0028    0.0144   -0.0010
            Y    -0.0081    0.0069   -0.0059    0.0093    0.0065    0.0027
            Z    -0.0025    0.0038    0.0084   -0.0007    0.0039   -0.0013
 AT.  62 O  X     0.0064    0.0091   -0.0086    0.0028    0.0144   -0.0010
            Y     0.0081    0.0069    0.0059    0.0093    0.0065    0.0027
            Z    -0.0025   -0.0038    0.0084    0.0007   -0.0039    0.0013
 AT.  63 O  X     0.0064    0.0091   -0.0086    0.0028   -0.0144    0.0010
            Y    -0.0081   -0.0069   -0.0059   -0.0093    0.0065    0.0027
            Z    -0.0025   -0.0038    0.0084    0.0007    0.0039   -0.0013
 AT.  64 O  X    -0.0064    0.0091    0.0086    0.0028   -0.0144    0.0010
            Y     0.0081   -0.0069    0.0059   -0.0093    0.0065    0.0027
            Z    -0.0025    0.0038    0.0084   -0.0007   -0.0039    0.0013
 AT.  65 O  X    -0.0064   -0.0091   -0.0086    0.0028   -0.0144   -0.0010
            Y    -0.0081   -0.0069    0.0059    0.0093   -0.0065    0.0027
            Z    -0.0025   -0.0038   -0.0084   -0.0007   -0.0039   -0.0013
 AT.  66 O  X     0.0064   -0.0091    0.0086    0.0028   -0.0144   -0.0010
            Y     0.0081   -0.0069   -0.0059    0.0093   -0.0065    0.0027
            Z    -0.0025    0.0038   -0.0084    0.0007    0.0039    0.0013
 AT.  67 O  X     0.0064   -0.0091    0.0086    0.0028    0.0144    0.0010
            Y    -0.0081    0.0069    0.0059   -0.0093   -0.0065    0.0027
            Z    -0.0025    0.0038   -0.0084    0.0007   -0.0039   -0.0013
 AT.  68 O  X    -0.0064   -0.0091   -0.0086    0.0028    0.0144    0.0010
            Y     0.0081    0.0069   -0.0059   -0.0093   -0.0065    0.0027
            Z    -0.0025   -0.0038   -0.0084   -0.0007    0.0039    0.0013
 AT.  69 O  X    -0.0081    0.0089    0.0062    0.0045    0.0146    0.0004
            Y     0.0009    0.0015    0.0029   -0.0021    0.0081   -0.0006
            Z    -0.0006   -0.0013   -0.0104    0.0038   -0.0046    0.0016
 AT.  70 O  X     0.0081    0.0089   -0.0062    0.0045    0.0146    0.0004
            Y    -0.0009    0.0015   -0.0029   -0.0021    0.0081   -0.0006
            Z    -0.0006    0.0013   -0.0104   -0.0038    0.0046   -0.0016
 AT.  71 O  X     0.0081    0.0089   -0.0062    0.0045   -0.0146   -0.0004
            Y     0.0009   -0.0015    0.0029    0.0021    0.0081   -0.0006
            Z    -0.0006    0.0013   -0.0104   -0.0038   -0.0046    0.0016
 AT.  72 O  X    -0.0081    0.0089    0.0062    0.0045   -0.0146   -0.0004
            Y    -0.0009   -0.0015   -0.0029    0.0021    0.0081   -0.0006
            Z    -0.0006   -0.0013   -0.0104    0.0038    0.0046   -0.0016
 AT.  73 O  X    -0.0081   -0.0089   -0.0062    0.0045   -0.0146    0.0004
            Y     0.0009   -0.0015   -0.0029   -0.0021   -0.0081   -0.0006
            Z    -0.0006    0.0013    0.0104    0.0038    0.0046    0.0016
 AT.  74 O  X     0.0081   -0.0089    0.0062    0.0045   -0.0146    0.0004
            Y    -0.0009   -0.0015    0.0029   -0.0021   -0.0081   -0.0006
            Z    -0.0006   -0.0013    0.0104   -0.0038   -0.0046   -0.0016
 AT.  75 O  X     0.0081   -0.0089    0.0062    0.0045    0.0146   -0.0004
            Y     0.0009    0.0015   -0.0029    0.0021   -0.0081   -0.0006
            Z    -0.0006   -0.0013    0.0104   -0.0038    0.0046    0.0016
 AT.  76 O  X    -0.0081   -0.0089   -0.0062    0.0045    0.0146   -0.0004
            Y    -0.0009    0.0015    0.0029    0.0021   -0.0081   -0.0006
            Z    -0.0006    0.0013    0.0104    0.0038   -0.0046   -0.0016
 AT.  77 O  X     0.0074   -0.0092   -0.0089   -0.0034   -0.0144    0.0006
            Y    -0.0031    0.0031   -0.0035    0.0030    0.0046    0.0010
            Z     0.0050   -0.0023    0.0052   -0.0056    0.0013   -0.0019
 AT.  78 O  X    -0.0074   -0.0092    0.0089   -0.0034   -0.0144    0.0006
            Y     0.0031    0.0031    0.0035    0.0030    0.0046    0.0010
            Z     0.0050    0.0023    0.0052    0.0056   -0.0013    0.0019
 AT.  79 O  X    -0.0074   -0.0092    0.0089   -0.0034    0.0144   -0.0006
            Y    -0.0031   -0.0031   -0.0035   -0.0030    0.0046    0.0010
            Z     0.0050    0.0023    0.0052    0.0056    0.0013   -0.0019
 AT.  80 O  X     0.0074   -0.0092   -0.0089   -0.0034    0.0144   -0.0006
            Y     0.0031   -0.0031    0.0035   -0.0030    0.0046    0.0010
            Z     0.0050   -0.0023    0.0052   -0.0056   -0.0013    0.0019
 AT.  81 O  X     0.0074    0.0092    0.0089   -0.0034    0.0144    0.0006
            Y    -0.0031   -0.0031    0.0035    0.0030   -0.0046    0.0010
            Z     0.0050    0.0023   -0.0052   -0.0056   -0.0013   -0.0019
 AT.  82 O  X    -0.0074    0.0092   -0.0089   -0.0034    0.0144    0.0006
            Y     0.0031   -0.0031   -0.0035    0.0030   -0.0046    0.0010
            Z     0.0050   -0.0023   -0.0052    0.0056    0.0013    0.0019
 AT.  83 O  X    -0.0074    0.0092   -0.0089   -0.0034   -0.0144   -0.0006
            Y    -0.0031    0.0031    0.0035   -0.0030   -0.0046    0.0010
            Z     0.0050   -0.0023   -0.0052    0.0056   -0.0013   -0.0019
 AT.  84 O  X     0.0074    0.0092    0.0089   -0.0034   -0.0144   -0.0006
            Y     0.0031    0.0031   -0.0035   -0.0030   -0.0046    0.0010
            Z     0.0050    0.0023   -0.0052   -0.0056    0.0013    0.0019
 AT.  85 O  X     0.0022   -0.0018    0.0004   -0.0037   -0.0026   -0.0069
            Y     0.0126   -0.0121    0.0120   -0.0144   -0.0037   -0.0035
            Z     0.0014   -0.0014   -0.0013   -0.0004    0.0003   -0.0039
 AT.  86 O  X    -0.0022   -0.0018   -0.0004   -0.0037   -0.0026   -0.0069
            Y    -0.0126   -0.0121   -0.0120   -0.0144   -0.0037   -0.0035
            Z     0.0014    0.0014   -0.0013    0.0004   -0.0003    0.0039
 AT.  87 O  X    -0.0022   -0.0018   -0.0004   -0.0037    0.0026    0.0069
            Y     0.0126    0.0121    0.0120    0.0144   -0.0037   -0.0035
            Z     0.0014    0.0014   -0.0013    0.0004    0.0003   -0.0039
 AT.  88 O  X     0.0022   -0.0018    0.0004   -0.0037    0.0026    0.0069
            Y    -0.0126    0.0121   -0.0120    0.0144   -0.0037   -0.0035
            Z     0.0014   -0.0014   -0.0013   -0.0004   -0.0003    0.0039
 AT.  89 O  X     0.0022    0.0018   -0.0004   -0.0037    0.0026   -0.0069
            Y     0.0126    0.0121   -0.0120   -0.0144    0.0037   -0.0035
            Z     0.0014    0.0014    0.0013   -0.0004   -0.0003   -0.0039
 AT.  90 O  X    -0.0022    0.0018    0.0004   -0.0037    0.0026   -0.0069
            Y    -0.0126    0.0121    0.0120   -0.0144    0.0037   -0.0035
            Z     0.0014   -0.0014    0.0013    0.0004    0.0003    0.0039
 AT.  91 O  X    -0.0022    0.0018    0.0004   -0.0037   -0.0026    0.0069
            Y     0.0126   -0.0121   -0.0120    0.0144    0.0037   -0.0035
            Z     0.0014   -0.0014    0.0013    0.0004   -0.0003   -0.0039
 AT.  92 O  X     0.0022    0.0018   -0.0004   -0.0037   -0.0026    0.0069
            Y    -0.0126   -0.0121    0.0120    0.0144    0.0037   -0.0035
            Z     0.0014    0.0014    0.0013   -0.0004    0.0003    0.0039
 AT.  93 O  X     0.0036   -0.0038    0.0007   -0.0031   -0.0015   -0.0053
            Y    -0.0102    0.0094   -0.0083    0.0110    0.0024    0.0090
            Z    -0.0091    0.0092   -0.0076    0.0098    0.0025   -0.0015
 AT.  94 O  X    -0.0036   -0.0038   -0.0007   -0.0031   -0.0015   -0.0053
            Y     0.0102    0.0094    0.0083    0.0110    0.0024    0.0090
            Z    -0.0091   -0.0092   -0.0076   -0.0098   -0.0025    0.0015
 AT.  95 O  X    -0.0036   -0.0038   -0.0007   -0.0031    0.0015    0.0053
            Y    -0.0102   -0.0094   -0.0083   -0.0110    0.0024    0.0090
            Z    -0.0091   -0.0092   -0.0076   -0.0098    0.0025   -0.0015
 AT.  96 O  X     0.0036   -0.0038    0.0007   -0.0031    0.0015    0.0053
            Y     0.0102   -0.0094    0.0083   -0.0110    0.0024    0.0090
            Z    -0.0091    0.0092   -0.0076    0.0098   -0.0025    0.0015
 AT.  97 O  X     0.0036    0.0038   -0.0007   -0.0031    0.0015   -0.0053
            Y    -0.0102   -0.0094    0.0083    0.0110   -0.0024    0.0090
            Z    -0.0091   -0.0092    0.0076    0.0098   -0.0025   -0.0015
 AT.  98 O  X    -0.0036    0.0038    0.0007   -0.0031    0.0015   -0.0053
            Y     0.0102   -0.0094   -0.0083    0.0110   -0.0024    0.0090
            Z    -0.0091    0.0092    0.0076   -0.0098    0.0025    0.0015
 AT.  99 O  X    -0.0036    0.0038    0.0007   -0.0031   -0.0015    0.0053
            Y    -0.0102    0.0094    0.0083   -0.0110   -0.0024    0.0090
            Z    -0.0091    0.0092    0.0076   -0.0098   -0.0025   -0.0015
 AT. 100 O  X     0.0036    0.0038   -0.0007   -0.0031   -0.0015    0.0053
            Y     0.0102    0.0094   -0.0083   -0.0110   -0.0024    0.0090
            Z    -0.0091   -0.0092    0.0076    0.0098    0.0025    0.0015
 AT. 101 O  X     0.0117   -0.0109    0.0111   -0.0120    0.0032   -0.0193
            Y     0.0034   -0.0025    0.0030   -0.0032   -0.0001    0.0004
            Z     0.0075   -0.0070    0.0082   -0.0087   -0.0026    0.0022
 AT. 102 O  X    -0.0117   -0.0109   -0.0111   -0.0120    0.0032   -0.0193
            Y    -0.0034   -0.0025   -0.0030   -0.0032   -0.0001    0.0004
            Z     0.0075    0.0070    0.0082    0.0087    0.0026   -0.0022
 AT. 103 O  X    -0.0117   -0.0109   -0.0111   -0.0120   -0.0032    0.0193
            Y     0.0034    0.0025    0.0030    0.0032   -0.0001    0.0004
            Z     0.0075    0.0070    0.0082    0.0087   -0.0026    0.0022
 AT. 104 O  X     0.0117   -0.0109    0.0111   -0.0120   -0.0032    0.0193
            Y    -0.0034    0.0025   -0.0030    0.0032   -0.0001    0.0004
            Z     0.0075   -0.0070    0.0082   -0.0087    0.0026   -0.0022
 AT. 105 O  X     0.0117    0.0109   -0.0111   -0.0120   -0.0032   -0.0193
            Y     0.0034    0.0025   -0.0030   -0.0032    0.0001    0.0004
            Z     0.0075    0.0070   -0.0082   -0.0087    0.0026    0.0022
 AT. 106 O  X    -0.0117    0.0109    0.0111   -0.0120   -0.0032   -0.0193
            Y    -0.0034    0.0025    0.0030   -0.0032    0.0001    0.0004
            Z     0.0075   -0.0070   -0.0082    0.0087   -0.0026   -0.0022
 AT. 107 O  X    -0.0117    0.0109    0.0111   -0.0120    0.0032    0.0193
            Y     0.0034   -0.0025   -0.0030    0.0032    0.0001    0.0004
            Z     0.0075   -0.0070   -0.0082    0.0087    0.0026    0.0022
 AT. 108 O  X     0.0117    0.0109   -0.0111   -0.0120    0.0032    0.0193
            Y    -0.0034   -0.0025    0.0030    0.0032    0.0001    0.0004
            Z     0.0075    0.0070   -0.0082   -0.0087   -0.0026   -0.0022
 AT. 109 O  X    -0.0067    0.0061   -0.0054    0.0071    0.0001    0.0090
            Y     0.0089   -0.0082    0.0083   -0.0097   -0.0024   -0.0054
            Z    -0.0092    0.0091   -0.0078    0.0093    0.0011    0.0016
 AT. 110 O  X     0.0067    0.0061    0.0054    0.0071    0.0001    0.0090
            Y    -0.0089   -0.0082   -0.0083   -0.0097   -0.0024   -0.0054
            Z    -0.0092   -0.0091   -0.0078   -0.0093   -0.0011   -0.0016
 AT. 111 O  X     0.0067    0.0061    0.0054    0.0071   -0.0001   -0.0090
            Y     0.0089    0.0082    0.0083    0.0097   -0.0024   -0.0054
            Z    -0.0092   -0.0091   -0.0078   -0.0093    0.0011    0.0016
 AT. 112 O  X    -0.0067    0.0061   -0.0054    0.0071   -0.0001   -0.0090
            Y    -0.0089    0.0082   -0.0083    0.0097   -0.0024   -0.0054
            Z    -0.0092    0.0091   -0.0078    0.0093   -0.0011   -0.0016
 AT. 113 O  X    -0.0067   -0.0061    0.0054    0.0071   -0.0001    0.0090
            Y     0.0089    0.0082   -0.0083   -0.0097    0.0024   -0.0054
            Z    -0.0092   -0.0091    0.0078    0.0093   -0.0011    0.0016
 AT. 114 O  X     0.0067   -0.0061   -0.0054    0.0071   -0.0001    0.0090
            Y    -0.0089    0.0082    0.0083   -0.0097    0.0024   -0.0054
            Z    -0.0092    0.0091    0.0078   -0.0093    0.0011   -0.0016
 AT. 115 O  X     0.0067   -0.0061   -0.0054    0.0071    0.0001   -0.0090
            Y     0.0089   -0.0082   -0.0083    0.0097    0.0024   -0.0054
            Z    -0.0092    0.0091    0.0078   -0.0093   -0.0011    0.0016
 AT. 116 O  X    -0.0067   -0.0061    0.0054    0.0071    0.0001   -0.0090
            Y    -0.0089   -0.0082    0.0083    0.0097    0.0024   -0.0054
            Z    -0.0092   -0.0091    0.0078    0.0093    0.0011   -0.0016
 AT. 117 O  X    -0.0039    0.0032   -0.0035    0.0045    0.0026   -0.0115
            Y    -0.0093    0.0084   -0.0086    0.0094   -0.0035    0.0153
            Z     0.0003    0.0001    0.0004   -0.0006    0.0018   -0.0143
 AT. 118 O  X     0.0039    0.0032    0.0035    0.0045    0.0026   -0.0115
            Y     0.0093    0.0084    0.0086    0.0094   -0.0035    0.0153
            Z     0.0003   -0.0001    0.0004    0.0006   -0.0018    0.0143
 AT. 119 O  X     0.0039    0.0032    0.0035    0.0045   -0.0026    0.0115
            Y    -0.0093   -0.0084   -0.0086   -0.0094   -0.0035    0.0153
            Z     0.0003   -0.0001    0.0004    0.0006    0.0018   -0.0143
 AT. 120 O  X    -0.0039    0.0032   -0.0035    0.0045   -0.0026    0.0115
            Y     0.0093   -0.0084    0.0086   -0.0094   -0.0035    0.0153
            Z     0.0003    0.0001    0.0004   -0.0006   -0.0018    0.0143
 AT. 121 O  X    -0.0039   -0.0032    0.0035    0.0045   -0.0026   -0.0115
            Y    -0.0093   -0.0084    0.0086    0.0094    0.0035    0.0153
            Z     0.0003   -0.0001   -0.0004   -0.0006   -0.0018   -0.0143
 AT. 122 O  X     0.0039   -0.0032   -0.0035    0.0045   -0.0026   -0.0115
            Y     0.0093   -0.0084   -0.0086    0.0094    0.0035    0.0153
            Z     0.0003    0.0001   -0.0004    0.0006    0.0018    0.0143
 AT. 123 O  X     0.0039   -0.0032   -0.0035    0.0045    0.0026    0.0115
            Y    -0.0093    0.0084    0.0086   -0.0094    0.0035    0.0153
            Z     0.0003    0.0001   -0.0004    0.0006   -0.0018   -0.0143
 AT. 124 O  X    -0.0039   -0.0032    0.0035    0.0045    0.0026    0.0115
            Y     0.0093    0.0084   -0.0086   -0.0094    0.0035    0.0153
            Z     0.0003   -0.0001   -0.0004   -0.0006    0.0018    0.0143

 FREQ(CM**-1)    577.03    577.78    588.53    589.11    666.96    667.56

 AT.   1 SI X     0.0003   -0.0117    0.0010   -0.0022   -0.0003    0.0003
            Y     0.0009   -0.0028   -0.0004    0.0010    0.0004   -0.0005
            Z    -0.0004    0.0001    0.0004   -0.0010    0.0008   -0.0007
 AT.   2 SI X    -0.0003    0.0117   -0.0010   -0.0022   -0.0003   -0.0003
            Y    -0.0009    0.0028    0.0004    0.0010    0.0004    0.0005
            Z    -0.0004    0.0001    0.0004    0.0010   -0.0008   -0.0007
 AT.   3 SI X     0.0003    0.0117    0.0010    0.0022    0.0003    0.0003
            Y    -0.0009   -0.0028    0.0004    0.0010    0.0004    0.0005
            Z     0.0004    0.0001   -0.0004   -0.0010    0.0008    0.0007
 AT.   4 SI X    -0.0003   -0.0117   -0.0010    0.0022    0.0003   -0.0003
            Y     0.0009    0.0028   -0.0004    0.0010    0.0004   -0.0005
            Z     0.0004    0.0001   -0.0004    0.0010   -0.0008    0.0007
 AT.   5 SI X    -0.0003    0.0117    0.0010    0.0022   -0.0003   -0.0003
            Y    -0.0009    0.0028   -0.0004   -0.0010    0.0004    0.0005
            Z     0.0004   -0.0001    0.0004    0.0010    0.0008    0.0007
 AT.   6 SI X     0.0003   -0.0117   -0.0010    0.0022   -0.0003    0.0003
            Y     0.0009   -0.0028    0.0004   -0.0010    0.0004   -0.0005
            Z     0.0004   -0.0001    0.0004   -0.0010   -0.0008    0.0007
 AT.   7 SI X    -0.0003   -0.0117    0.0010   -0.0022    0.0003   -0.0003
            Y     0.0009    0.0028    0.0004   -0.0010    0.0004   -0.0005
            Z    -0.0004   -0.0001   -0.0004    0.0010    0.0008   -0.0007
 AT.   8 SI X     0.0003    0.0117   -0.0010   -0.0022    0.0003    0.0003
            Y    -0.0009   -0.0028   -0.0004   -0.0010    0.0004    0.0005
            Z    -0.0004   -0.0001   -0.0004   -0.0010   -0.0008   -0.0007
 AT.   9 SI X    -0.0082    0.0034   -0.0081    0.0079   -0.0061    0.0064
            Y     0.0005    0.0036    0.0030   -0.0030    0.0070   -0.0070
            Z    -0.0003   -0.0037   -0.0018    0.0018   -0.0109    0.0109
 AT.  10 SI X     0.0082   -0.0034    0.0081    0.0079   -0.0061   -0.0064
            Y    -0.0005   -0.0036   -0.0030   -0.0030    0.0070    0.0070
            Z    -0.0003   -0.0037   -0.0018   -0.0018    0.0109    0.0109
 AT.  11 SI X    -0.0082   -0.0034   -0.0081   -0.0079    0.0061    0.0064
            Y    -0.0005    0.0036   -0.0030   -0.0030    0.0070    0.0070
            Z     0.0003   -0.0037    0.0018    0.0018   -0.0109   -0.0109
 AT.  12 SI X     0.0082    0.0034    0.0081   -0.0079    0.0061   -0.0064
            Y     0.0005   -0.0036    0.0030   -0.0030    0.0070   -0.0070
            Z     0.0003   -0.0037    0.0018   -0.0018    0.0109   -0.0109
 AT.  13 SI X     0.0082   -0.0034   -0.0081   -0.0079   -0.0061   -0.0064
            Y    -0.0005   -0.0036    0.0030    0.0030    0.0070    0.0070
            Z     0.0003    0.0037   -0.0018   -0.0018   -0.0109   -0.0109
 AT.  14 SI X    -0.0082    0.0034    0.0081   -0.0079   -0.0061    0.0064
            Y     0.0005    0.0036   -0.0030    0.0030    0.0070   -0.0070
            Z     0.0003    0.0037   -0.0018    0.0018    0.0109   -0.0109
 AT.  15 SI X     0.0082    0.0034   -0.0081    0.0079    0.0061   -0.0064
            Y     0.0005   -0.0036   -0.0030    0.0030    0.0070   -0.0070
            Z    -0.0003    0.0037    0.0018   -0.0018   -0.0109    0.0109
 AT.  16 SI X    -0.0082   -0.0034    0.0081    0.0079    0.0061    0.0064
            Y    -0.0005    0.0036    0.0030    0.0030    0.0070    0.0070
            Z    -0.0003    0.0037    0.0018    0.0018    0.0109    0.0109
 AT.  17 SI X     0.0000   -0.0006    0.0000    0.0000    0.0000    0.0000
            Y     0.0149    0.0000    0.0097   -0.0097   -0.0134    0.0133
            Z     0.0000    0.0044    0.0000    0.0000    0.0000    0.0000
 AT.  18 SI X     0.0000    0.0006    0.0000    0.0000    0.0000    0.0000
            Y    -0.0149    0.0000   -0.0097   -0.0097   -0.0134   -0.0133
            Z     0.0000    0.0044    0.0000    0.0000    0.0000    0.0000
 AT.  19 SI X     0.0000    0.0006    0.0000    0.0000    0.0000    0.0000
            Y    -0.0149    0.0000    0.0097    0.0097   -0.0134   -0.0133
            Z     0.0000   -0.0044    0.0000    0.0000    0.0000    0.0000
 AT.  20 SI X     0.0000   -0.0006    0.0000    0.0000    0.0000    0.0000
            Y     0.0149    0.0000   -0.0097    0.0097   -0.0134    0.0133
            Z     0.0000   -0.0044    0.0000    0.0000    0.0000    0.0000
 AT.  21 CA X    -0.0002    0.0007   -0.0001    0.0003    0.0000    0.0001
            Y    -0.0003    0.0037    0.0004   -0.0004    0.0002   -0.0002
            Z    -0.0008   -0.0003   -0.0004   -0.0002    0.0002   -0.0003
 AT.  22 CA X     0.0002   -0.0007    0.0001    0.0003    0.0000   -0.0001
            Y     0.0003   -0.0037   -0.0004   -0.0004    0.0002    0.0002
            Z    -0.0008   -0.0003   -0.0004    0.0002   -0.0002   -0.0003
 AT.  23 CA X    -0.0002   -0.0007   -0.0001   -0.0003    0.0000    0.0001
            Y     0.0003    0.0037   -0.0004   -0.0004    0.0002    0.0002
            Z     0.0008   -0.0003    0.0004   -0.0002    0.0002    0.0003
 AT.  24 CA X     0.0002    0.0007    0.0001   -0.0003    0.0000   -0.0001
            Y    -0.0003   -0.0037    0.0004   -0.0004    0.0002   -0.0002
            Z     0.0008   -0.0003    0.0004    0.0002   -0.0002    0.0003
 AT.  25 CA X     0.0002   -0.0007   -0.0001   -0.0003    0.0000   -0.0001
            Y     0.0003   -0.0037    0.0004    0.0004    0.0002    0.0002
            Z     0.0008    0.0003   -0.0004    0.0002    0.0002    0.0003
 AT.  26 CA X    -0.0002    0.0007    0.0001   -0.0003    0.0000    0.0001
            Y    -0.0003    0.0037   -0.0004    0.0004    0.0002   -0.0002
            Z     0.0008    0.0003   -0.0004   -0.0002   -0.0002    0.0003
 AT.  27 CA X     0.0002    0.0007   -0.0001    0.0003    0.0000   -0.0001
            Y    -0.0003   -0.0037   -0.0004    0.0004    0.0002   -0.0002
            Z    -0.0008    0.0003    0.0004    0.0002    0.0002   -0.0003
 AT.  28 CA X    -0.0002   -0.0007    0.0001    0.0003    0.0000    0.0001
            Y     0.0003    0.0037    0.0004    0.0004    0.0002    0.0002
            Z    -0.0008    0.0003    0.0004   -0.0002   -0.0002   -0.0003
 AT.  29 CA X     0.0000    0.0000    0.0001    0.0000    0.0001    0.0000
            Y     0.0000    0.0000   -0.0005    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0006    0.0000    0.0001    0.0000
 AT.  30 CA X     0.0000    0.0000   -0.0001    0.0000    0.0001    0.0000
            Y     0.0000    0.0000    0.0005    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0006    0.0000   -0.0001    0.0000
 AT.  31 CA X     0.0000    0.0000    0.0001    0.0000   -0.0001    0.0000
            Y     0.0000    0.0000    0.0005    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0006    0.0000    0.0001    0.0000
 AT.  32 CA X     0.0000    0.0000   -0.0001    0.0000   -0.0001    0.0000
            Y     0.0000    0.0000   -0.0005    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0006    0.0000   -0.0001    0.0000
 AT.  33 CA X     0.0012    0.0003    0.0004   -0.0003    0.0001   -0.0001
            Y    -0.0001    0.0003   -0.0006    0.0006   -0.0002    0.0002
            Z    -0.0008   -0.0012    0.0017   -0.0016   -0.0001    0.0001
 AT.  34 CA X    -0.0012   -0.0003   -0.0004   -0.0003    0.0001    0.0001
            Y     0.0001   -0.0003    0.0006    0.0006   -0.0002   -0.0002
            Z    -0.0008   -0.0012    0.0017    0.0016    0.0001    0.0001
 AT.  35 CA X     0.0012   -0.0003    0.0004    0.0003   -0.0001   -0.0001
            Y     0.0001    0.0003    0.0006    0.0006   -0.0002   -0.0002
            Z     0.0008   -0.0012   -0.0017   -0.0016   -0.0001   -0.0001
 AT.  36 CA X    -0.0012    0.0003   -0.0004    0.0003   -0.0001    0.0001
            Y    -0.0001   -0.0003   -0.0006    0.0006   -0.0002    0.0002
            Z     0.0008   -0.0012   -0.0017    0.0016    0.0001   -0.0001
 AT.  37 CA X    -0.0012   -0.0003    0.0004    0.0003    0.0001    0.0001
            Y     0.0001   -0.0003   -0.0006   -0.0006   -0.0002   -0.0002
            Z     0.0008    0.0012    0.0017    0.0016   -0.0001   -0.0001
 AT.  38 CA X     0.0012    0.0003   -0.0004    0.0003    0.0001   -0.0001
            Y    -0.0001    0.0003    0.0006   -0.0006   -0.0002    0.0002
            Z     0.0008    0.0012    0.0017   -0.0016    0.0001   -0.0001
 AT.  39 CA X    -0.0012    0.0003    0.0004   -0.0003   -0.0001    0.0001
            Y    -0.0001   -0.0003    0.0006   -0.0006   -0.0002    0.0002
            Z    -0.0008    0.0012   -0.0017    0.0016   -0.0001    0.0001
 AT.  40 CA X     0.0012   -0.0003   -0.0004   -0.0003   -0.0001   -0.0001
            Y     0.0001    0.0003   -0.0006   -0.0006   -0.0002   -0.0002
            Z    -0.0008    0.0012   -0.0017   -0.0016    0.0001    0.0001
 AT.  41 CA X     0.0012   -0.0009   -0.0013    0.0013   -0.0014    0.0014
            Y     0.0021   -0.0019   -0.0028    0.0028   -0.0012    0.0012
            Z    -0.0027   -0.0005    0.0021   -0.0022   -0.0003    0.0003
 AT.  42 CA X    -0.0012    0.0009    0.0013    0.0013   -0.0014   -0.0014
            Y    -0.0021    0.0019    0.0028    0.0028   -0.0012   -0.0012
            Z    -0.0027   -0.0005    0.0021    0.0022    0.0003    0.0003
 AT.  43 CA X     0.0012    0.0009   -0.0013   -0.0013    0.0014    0.0014
            Y    -0.0021   -0.0019    0.0028    0.0028   -0.0012   -0.0012
            Z     0.0027   -0.0005   -0.0021   -0.0022   -0.0003   -0.0003
 AT.  44 CA X    -0.0012   -0.0009    0.0013   -0.0013    0.0014   -0.0014
            Y     0.0021    0.0019   -0.0028    0.0028   -0.0012    0.0012
            Z     0.0027   -0.0005   -0.0021    0.0022    0.0003   -0.0003
 AT.  45 CA X    -0.0012    0.0009   -0.0013   -0.0013   -0.0014   -0.0014
            Y    -0.0021    0.0019   -0.0028   -0.0028   -0.0012   -0.0012
            Z     0.0027    0.0005    0.0021    0.0022   -0.0003   -0.0003
 AT.  46 CA X     0.0012   -0.0009    0.0013   -0.0013   -0.0014    0.0014
            Y     0.0021   -0.0019    0.0028   -0.0028   -0.0012    0.0012
            Z     0.0027    0.0005    0.0021   -0.0022    0.0003   -0.0003
 AT.  47 CA X    -0.0012   -0.0009   -0.0013    0.0013    0.0014   -0.0014
            Y     0.0021    0.0019    0.0028   -0.0028   -0.0012    0.0012
            Z    -0.0027    0.0005   -0.0021    0.0022   -0.0003    0.0003
 AT.  48 CA X     0.0012    0.0009    0.0013    0.0013    0.0014    0.0014
            Y    -0.0021   -0.0019   -0.0028   -0.0028   -0.0012   -0.0012
            Z    -0.0027    0.0005   -0.0021   -0.0022    0.0003    0.0003
 AT.  49 CA X     0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
            Y    -0.0017    0.0000    0.0007   -0.0008    0.0026   -0.0026
            Z     0.0000   -0.0010    0.0000    0.0000    0.0000    0.0000
 AT.  50 CA X     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000
            Y     0.0017    0.0000   -0.0007   -0.0008    0.0026    0.0026
            Z     0.0000   -0.0010    0.0000    0.0000    0.0000    0.0000
 AT.  51 CA X     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000
            Y     0.0017    0.0000    0.0007    0.0008    0.0026    0.0026
            Z     0.0000    0.0010    0.0000    0.0000    0.0000    0.0000
 AT.  52 CA X     0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
            Y    -0.0017    0.0000   -0.0007    0.0008    0.0026   -0.0026
            Z     0.0000    0.0010    0.0000    0.0000    0.0000    0.0000
 AT.  53 O  X    -0.0007    0.0117   -0.0026    0.0039   -0.0005    0.0005
            Y     0.0014   -0.0118   -0.0017    0.0013   -0.0007    0.0007
            Z     0.0021    0.0003   -0.0029    0.0026   -0.0011    0.0014
 AT.  54 O  X     0.0007   -0.0117    0.0026    0.0039   -0.0005   -0.0005
            Y    -0.0014    0.0118    0.0017    0.0013   -0.0007   -0.0007
            Z     0.0021    0.0003   -0.0029   -0.0026    0.0011    0.0014
 AT.  55 O  X    -0.0007   -0.0117   -0.0026   -0.0039    0.0005    0.0005
            Y    -0.0014   -0.0118    0.0017    0.0013   -0.0007   -0.0007
            Z    -0.0021    0.0003    0.0029    0.0026   -0.0011   -0.0014
 AT.  56 O  X     0.0007    0.0117    0.0026   -0.0039    0.0005   -0.0005
            Y     0.0014    0.0118   -0.0017    0.0013   -0.0007    0.0007
            Z    -0.0021    0.0003    0.0029   -0.0026    0.0011   -0.0014
 AT.  57 O  X     0.0007   -0.0117   -0.0026   -0.0039   -0.0005   -0.0005
            Y    -0.0014    0.0118   -0.0017   -0.0013   -0.0007   -0.0007
            Z    -0.0021   -0.0003   -0.0029   -0.0026   -0.0011   -0.0014
 AT.  58 O  X    -0.0007    0.0117    0.0026   -0.0039   -0.0005    0.0005
            Y     0.0014   -0.0118    0.0017   -0.0013   -0.0007    0.0007
            Z    -0.0021   -0.0003   -0.0029    0.0026    0.0011   -0.0014
 AT.  59 O  X     0.0007    0.0117   -0.0026    0.0039    0.0005   -0.0005
            Y     0.0014    0.0118    0.0017   -0.0013   -0.0007    0.0007
            Z     0.0021   -0.0003    0.0029   -0.0026   -0.0011    0.0014
 AT.  60 O  X    -0.0007   -0.0117    0.0026    0.0039    0.0005    0.0005
            Y    -0.0014   -0.0118   -0.0017   -0.0013   -0.0007   -0.0007
            Z     0.0021   -0.0003    0.0029    0.0026    0.0011    0.0014
 AT.  61 O  X     0.0004    0.0123   -0.0017    0.0024    0.0013   -0.0011
            Y    -0.0028    0.0074    0.0037   -0.0036    0.0005   -0.0006
            Z     0.0010    0.0023   -0.0029    0.0042   -0.0005    0.0003
 AT.  62 O  X    -0.0004   -0.0123    0.0017    0.0024    0.0013    0.0011
            Y     0.0028   -0.0074   -0.0037   -0.0036    0.0005    0.0006
            Z     0.0010    0.0023   -0.0029   -0.0042    0.0005    0.0003
 AT.  63 O  X     0.0004   -0.0123   -0.0017   -0.0024   -0.0013   -0.0011
            Y     0.0028    0.0074   -0.0037   -0.0036    0.0005    0.0006
            Z    -0.0010    0.0023    0.0029    0.0042   -0.0005   -0.0003
 AT.  64 O  X    -0.0004    0.0123    0.0017   -0.0024   -0.0013    0.0011
            Y    -0.0028   -0.0074    0.0037   -0.0036    0.0005   -0.0006
            Z    -0.0010    0.0023    0.0029   -0.0042    0.0005   -0.0003
 AT.  65 O  X    -0.0004   -0.0123   -0.0017   -0.0024    0.0013    0.0011
            Y     0.0028   -0.0074    0.0037    0.0036    0.0005    0.0006
            Z    -0.0010   -0.0023   -0.0029   -0.0042   -0.0005   -0.0003
 AT.  66 O  X     0.0004    0.0123    0.0017   -0.0024    0.0013   -0.0011
            Y    -0.0028    0.0074   -0.0037    0.0036    0.0005   -0.0006
            Z    -0.0010   -0.0023   -0.0029    0.0042    0.0005   -0.0003
 AT.  67 O  X    -0.0004    0.0123   -0.0017    0.0024   -0.0013    0.0011
            Y    -0.0028   -0.0074   -0.0037    0.0036    0.0005   -0.0006
            Z     0.0010   -0.0023    0.0029   -0.0042   -0.0005    0.0003
 AT.  68 O  X     0.0004   -0.0123    0.0017    0.0024   -0.0013   -0.0011
            Y     0.0028    0.0074    0.0037    0.0036    0.0005    0.0006
            Z     0.0010   -0.0023    0.0029    0.0042    0.0005    0.0003
 AT.  69 O  X    -0.0009    0.0131    0.0005    0.0015    0.0006   -0.0005
            Y     0.0002    0.0072   -0.0003   -0.0005   -0.0004    0.0006
            Z    -0.0015   -0.0023    0.0031   -0.0040    0.0009   -0.0009
 AT.  70 O  X     0.0009   -0.0131   -0.0005    0.0015    0.0006    0.0005
            Y    -0.0002   -0.0072    0.0003   -0.0005   -0.0004   -0.0006
            Z    -0.0015   -0.0023    0.0031    0.0040   -0.0009   -0.0009
 AT.  71 O  X    -0.0009   -0.0131    0.0005   -0.0015   -0.0006   -0.0005
            Y    -0.0002    0.0072    0.0003   -0.0005   -0.0004   -0.0006
            Z     0.0015   -0.0023   -0.0031   -0.0040    0.0009    0.0009
 AT.  72 O  X     0.0009    0.0131   -0.0005   -0.0015   -0.0006    0.0005
            Y     0.0002   -0.0072   -0.0003   -0.0005   -0.0004    0.0006
            Z     0.0015   -0.0023   -0.0031    0.0040   -0.0009    0.0009
 AT.  73 O  X     0.0009   -0.0131    0.0005   -0.0015    0.0006    0.0005
            Y    -0.0002   -0.0072   -0.0003    0.0005   -0.0004   -0.0006
            Z     0.0015    0.0023    0.0031    0.0040    0.0009    0.0009
 AT.  74 O  X    -0.0009    0.0131   -0.0005   -0.0015    0.0006   -0.0005
            Y     0.0002    0.0072    0.0003    0.0005   -0.0004    0.0006
            Z     0.0015    0.0023    0.0031   -0.0040   -0.0009    0.0009
 AT.  75 O  X     0.0009    0.0131    0.0005    0.0015   -0.0006    0.0005
            Y     0.0002   -0.0072    0.0003    0.0005   -0.0004    0.0006
            Z    -0.0015    0.0023   -0.0031    0.0040    0.0009   -0.0009
 AT.  76 O  X    -0.0009   -0.0131   -0.0005    0.0015   -0.0006   -0.0005
            Y    -0.0002    0.0072   -0.0003    0.0005   -0.0004   -0.0006
            Z    -0.0015    0.0023   -0.0031   -0.0040   -0.0009   -0.0009
 AT.  77 O  X    -0.0001   -0.0122    0.0011   -0.0023   -0.0006    0.0005
            Y    -0.0011    0.0051    0.0021   -0.0026    0.0005   -0.0004
            Z     0.0018    0.0001   -0.0014    0.0012   -0.0003    0.0004
 AT.  78 O  X     0.0001    0.0122   -0.0011   -0.0023   -0.0006   -0.0005
            Y     0.0011   -0.0051   -0.0021   -0.0026    0.0005    0.0004
            Z     0.0018    0.0001   -0.0014   -0.0012    0.0003    0.0004
 AT.  79 O  X    -0.0001    0.0122    0.0011    0.0023    0.0006    0.0005
            Y     0.0011    0.0051   -0.0021   -0.0026    0.0005    0.0004
            Z    -0.0018    0.0001    0.0014    0.0012   -0.0003   -0.0004
 AT.  80 O  X     0.0001   -0.0122   -0.0011    0.0023    0.0006   -0.0005
            Y    -0.0011   -0.0051    0.0021   -0.0026    0.0005   -0.0004
            Z    -0.0018    0.0001    0.0014   -0.0012    0.0003   -0.0004
 AT.  81 O  X     0.0001    0.0122    0.0011    0.0023   -0.0006   -0.0005
            Y     0.0011   -0.0051    0.0021    0.0026    0.0005    0.0004
            Z    -0.0018   -0.0001   -0.0014   -0.0012   -0.0003   -0.0004
 AT.  82 O  X    -0.0001   -0.0122   -0.0011    0.0023   -0.0006    0.0005
            Y    -0.0011    0.0051   -0.0021    0.0026    0.0005   -0.0004
            Z    -0.0018   -0.0001   -0.0014    0.0012    0.0003   -0.0004
 AT.  83 O  X     0.0001   -0.0122    0.0011   -0.0023    0.0006   -0.0005
            Y    -0.0011   -0.0051   -0.0021    0.0026    0.0005   -0.0004
            Z     0.0018   -0.0001    0.0014   -0.0012   -0.0003    0.0004
 AT.  84 O  X    -0.0001    0.0122   -0.0011   -0.0023    0.0006    0.0005
            Y     0.0011    0.0051    0.0021    0.0026    0.0005    0.0004
            Z     0.0018   -0.0001    0.0014    0.0012    0.0003    0.0004
 AT.  85 O  X     0.0067   -0.0039    0.0040   -0.0041    0.0056   -0.0056
            Y     0.0040   -0.0087    0.0012   -0.0007   -0.0060    0.0057
            Z     0.0042   -0.0013    0.0092   -0.0093   -0.0029    0.0027
 AT.  86 O  X    -0.0067    0.0039   -0.0040   -0.0041    0.0056    0.0056
            Y    -0.0040    0.0087   -0.0012   -0.0007   -0.0060   -0.0057
            Z     0.0042   -0.0013    0.0092    0.0093    0.0029    0.0027
 AT.  87 O  X     0.0067    0.0039    0.0040    0.0041   -0.0056   -0.0056
            Y    -0.0040   -0.0087   -0.0012   -0.0007   -0.0060   -0.0057
            Z    -0.0042   -0.0013   -0.0092   -0.0093   -0.0029   -0.0027
 AT.  88 O  X    -0.0067   -0.0039   -0.0040    0.0041   -0.0056    0.0056
            Y     0.0040    0.0087    0.0012   -0.0007   -0.0060    0.0057
            Z    -0.0042   -0.0013   -0.0092    0.0093    0.0029   -0.0027
 AT.  89 O  X    -0.0067    0.0039    0.0040    0.0041    0.0056    0.0056
            Y    -0.0040    0.0087    0.0012    0.0007   -0.0060   -0.0057
            Z    -0.0042    0.0013    0.0092    0.0093   -0.0029   -0.0027
 AT.  90 O  X     0.0067   -0.0039   -0.0040    0.0041    0.0056   -0.0056
            Y     0.0040   -0.0087   -0.0012    0.0007   -0.0060    0.0057
            Z    -0.0042    0.0013    0.0092   -0.0093    0.0029   -0.0027
 AT.  91 O  X    -0.0067   -0.0039    0.0040   -0.0041   -0.0056    0.0056
            Y     0.0040    0.0087   -0.0012    0.0007   -0.0060    0.0057
            Z     0.0042    0.0013   -0.0092    0.0093   -0.0029    0.0027
 AT.  92 O  X     0.0067    0.0039   -0.0040   -0.0041   -0.0056   -0.0056
            Y    -0.0040   -0.0087    0.0012    0.0007   -0.0060   -0.0057
            Z     0.0042    0.0013   -0.0092   -0.0093    0.0029    0.0027
 AT.  93 O  X     0.0056   -0.0032    0.0072   -0.0071    0.0031   -0.0032
            Y    -0.0091    0.0068   -0.0023    0.0020    0.0035   -0.0032
            Z     0.0008    0.0062   -0.0046    0.0042    0.0054   -0.0051
 AT.  94 O  X    -0.0056    0.0032   -0.0072   -0.0071    0.0031    0.0032
            Y     0.0091   -0.0068    0.0023    0.0020    0.0035    0.0032
            Z     0.0008    0.0062   -0.0046   -0.0042   -0.0054   -0.0051
 AT.  95 O  X     0.0056    0.0032    0.0072    0.0071   -0.0031   -0.0032
            Y     0.0091    0.0068    0.0023    0.0020    0.0035    0.0032
            Z    -0.0008    0.0062    0.0046    0.0042    0.0054    0.0051
 AT.  96 O  X    -0.0056   -0.0032   -0.0072    0.0071   -0.0031    0.0032
            Y    -0.0091   -0.0068   -0.0023    0.0020    0.0035   -0.0032
            Z    -0.0008    0.0062    0.0046   -0.0042   -0.0054    0.0051
 AT.  97 O  X    -0.0056    0.0032    0.0072    0.0071    0.0031    0.0032
            Y     0.0091   -0.0068   -0.0023   -0.0020    0.0035    0.0032
            Z    -0.0008   -0.0062   -0.0046   -0.0042    0.0054    0.0051
 AT.  98 O  X     0.0056   -0.0032   -0.0072    0.0071    0.0031   -0.0032
            Y    -0.0091    0.0068    0.0023   -0.0020    0.0035   -0.0032
            Z    -0.0008   -0.0062   -0.0046    0.0042   -0.0054    0.0051
 AT.  99 O  X    -0.0056   -0.0032    0.0072   -0.0071   -0.0031    0.0032
            Y    -0.0091   -0.0068    0.0023   -0.0020    0.0035   -0.0032
            Z     0.0008   -0.0062    0.0046   -0.0042    0.0054   -0.0051
 AT. 100 O  X     0.0056    0.0032   -0.0072   -0.0071   -0.0031   -0.0032
            Y     0.0091    0.0068   -0.0023   -0.0020    0.0035    0.0032
            Z     0.0008   -0.0062    0.0046    0.0042   -0.0054   -0.0051
 AT. 101 O  X     0.0195   -0.0060    0.0217   -0.0210    0.0182   -0.0183
            Y    -0.0009   -0.0013   -0.0051    0.0050    0.0031   -0.0030
            Z    -0.0023   -0.0044   -0.0083    0.0087    0.0086   -0.0086
 AT. 102 O  X    -0.0195    0.0060   -0.0217   -0.0210    0.0182    0.0183
            Y     0.0009    0.0013    0.0051    0.0050    0.0031    0.0030
            Z    -0.0023   -0.0044   -0.0083   -0.0087   -0.0086   -0.0086
 AT. 103 O  X     0.0195    0.0060    0.0217    0.0210   -0.0182   -0.0183
            Y     0.0009   -0.0013    0.0051    0.0050    0.0031    0.0030
            Z     0.0023   -0.0044    0.0083    0.0087    0.0086    0.0086
 AT. 104 O  X    -0.0195   -0.0060   -0.0217    0.0210   -0.0182    0.0183
            Y    -0.0009    0.0013   -0.0051    0.0050    0.0031   -0.0030
            Z     0.0023   -0.0044    0.0083   -0.0087   -0.0086    0.0086
 AT. 105 O  X    -0.0195    0.0060    0.0217    0.0210    0.0182    0.0183
            Y     0.0009    0.0013   -0.0051   -0.0050    0.0031    0.0030
            Z     0.0023    0.0044   -0.0083   -0.0087    0.0086    0.0086
 AT. 106 O  X     0.0195   -0.0060   -0.0217    0.0210    0.0182   -0.0183
            Y    -0.0009   -0.0013    0.0051   -0.0050    0.0031   -0.0030
            Z     0.0023    0.0044   -0.0083    0.0087   -0.0086    0.0086
 AT. 107 O  X    -0.0195   -0.0060    0.0217   -0.0210   -0.0182    0.0183
            Y    -0.0009    0.0013    0.0051   -0.0050    0.0031   -0.0030
            Z    -0.0023    0.0044    0.0083   -0.0087    0.0086   -0.0086
 AT. 108 O  X     0.0195    0.0060   -0.0217   -0.0210   -0.0182   -0.0183
            Y     0.0009   -0.0013   -0.0051   -0.0050    0.0031    0.0030
            Z    -0.0023    0.0044    0.0083    0.0087   -0.0086   -0.0086
 AT. 109 O  X    -0.0091    0.0042   -0.0087    0.0085   -0.0072    0.0072
            Y     0.0054   -0.0055   -0.0019    0.0021   -0.0022    0.0023
            Z    -0.0021    0.0054   -0.0049    0.0046    0.0046   -0.0045
 AT. 110 O  X     0.0091   -0.0042    0.0087    0.0085   -0.0072   -0.0072
            Y    -0.0054    0.0055    0.0019    0.0021   -0.0022   -0.0023
            Z    -0.0021    0.0054   -0.0049   -0.0046   -0.0046   -0.0045
 AT. 111 O  X    -0.0091   -0.0042   -0.0087   -0.0085    0.0072    0.0072
            Y    -0.0054   -0.0055    0.0019    0.0021   -0.0022   -0.0023
            Z     0.0021    0.0054    0.0049    0.0046    0.0046    0.0045
 AT. 112 O  X     0.0091    0.0042    0.0087   -0.0085    0.0072   -0.0072
            Y     0.0054    0.0055   -0.0019    0.0021   -0.0022    0.0023
            Z     0.0021    0.0054    0.0049   -0.0046   -0.0046    0.0045
 AT. 113 O  X     0.0091   -0.0042   -0.0087   -0.0085   -0.0072   -0.0072
            Y    -0.0054    0.0055   -0.0019   -0.0021   -0.0022   -0.0023
            Z     0.0021   -0.0054   -0.0049   -0.0046    0.0046    0.0045
 AT. 114 O  X    -0.0091    0.0042    0.0087   -0.0085   -0.0072    0.0072
            Y     0.0054   -0.0055    0.0019   -0.0021   -0.0022    0.0023
            Z     0.0021   -0.0054   -0.0049    0.0046   -0.0046    0.0045
 AT. 115 O  X     0.0091    0.0042   -0.0087    0.0085    0.0072   -0.0072
            Y     0.0054    0.0055    0.0019   -0.0021   -0.0022    0.0023
            Z    -0.0021   -0.0054    0.0049   -0.0046    0.0046   -0.0045
 AT. 116 O  X    -0.0091   -0.0042    0.0087    0.0085    0.0072    0.0072
            Y    -0.0054   -0.0055   -0.0019   -0.0021   -0.0022   -0.0023
            Z    -0.0021   -0.0054    0.0049    0.0046   -0.0046   -0.0045
 AT. 117 O  X     0.0114    0.0027    0.0100   -0.0101   -0.0128    0.0128
            Y    -0.0149    0.0046   -0.0130    0.0129    0.0004   -0.0005
            Z     0.0141   -0.0003    0.0123   -0.0122   -0.0093    0.0092
 AT. 118 O  X    -0.0114   -0.0027   -0.0100   -0.0101   -0.0128   -0.0128
            Y     0.0149   -0.0046    0.0130    0.0129    0.0004    0.0005
            Z     0.0141   -0.0003    0.0123    0.0122    0.0093    0.0092
 AT. 119 O  X     0.0114   -0.0027    0.0100    0.0101    0.0128    0.0128
            Y     0.0149    0.0046    0.0130    0.0129    0.0004    0.0005
            Z    -0.0141   -0.0003   -0.0123   -0.0122   -0.0093   -0.0092
 AT. 120 O  X    -0.0114    0.0027   -0.0100    0.0101    0.0128   -0.0128
            Y    -0.0149   -0.0046   -0.0130    0.0129    0.0004   -0.0005
            Z    -0.0141   -0.0003   -0.0123    0.0122    0.0093   -0.0092
 AT. 121 O  X    -0.0114   -0.0027    0.0100    0.0101   -0.0128   -0.0128
            Y     0.0149   -0.0046   -0.0130   -0.0129    0.0004    0.0005
            Z    -0.0141    0.0003    0.0123    0.0122   -0.0093   -0.0092
 AT. 122 O  X     0.0114    0.0027   -0.0100    0.0101   -0.0128    0.0128
            Y    -0.0149    0.0046    0.0130   -0.0129    0.0004   -0.0005
            Z    -0.0141    0.0003    0.0123   -0.0122    0.0093   -0.0092
 AT. 123 O  X    -0.0114    0.0027    0.0100   -0.0101    0.0128   -0.0128
            Y    -0.0149   -0.0046    0.0130   -0.0129    0.0004   -0.0005
            Z     0.0141    0.0003   -0.0123    0.0122   -0.0093    0.0092
 AT. 124 O  X     0.0114   -0.0027   -0.0100   -0.0101    0.0128    0.0128
            Y     0.0149    0.0046   -0.0130   -0.0129    0.0004    0.0005
            Z     0.0141    0.0003   -0.0123   -0.0122    0.0093    0.0092

 FREQ(CM**-1)    678.38    678.42    707.52    708.63    708.83    708.88

 AT.   1 SI X     0.0002   -0.0002    0.0001   -0.0001    0.0002   -0.0001
            Y    -0.0003    0.0005   -0.0005   -0.0001   -0.0005   -0.0004
            Z    -0.0005    0.0004    0.0002    0.0002   -0.0004    0.0002
 AT.   2 SI X     0.0002    0.0002   -0.0001   -0.0001    0.0002    0.0001
            Y    -0.0003   -0.0005    0.0005   -0.0001   -0.0005    0.0004
            Z     0.0005    0.0004    0.0002   -0.0002    0.0004    0.0002
 AT.   3 SI X    -0.0002   -0.0002   -0.0001   -0.0001    0.0002    0.0001
            Y    -0.0003   -0.0005   -0.0005    0.0001    0.0005   -0.0004
            Z    -0.0005   -0.0004    0.0002   -0.0002    0.0004    0.0002
 AT.   4 SI X    -0.0002    0.0002    0.0001   -0.0001    0.0002   -0.0001
            Y    -0.0003    0.0005    0.0005    0.0001    0.0005    0.0004
            Z     0.0005   -0.0004    0.0002    0.0002   -0.0004    0.0002
 AT.   5 SI X    -0.0002   -0.0002    0.0001   -0.0001   -0.0002    0.0001
            Y     0.0003    0.0005   -0.0005   -0.0001    0.0005    0.0004
            Z     0.0005    0.0004    0.0002    0.0002    0.0004   -0.0002
 AT.   6 SI X    -0.0002    0.0002   -0.0001   -0.0001   -0.0002   -0.0001
            Y     0.0003   -0.0005    0.0005   -0.0001    0.0005   -0.0004
            Z    -0.0005    0.0004    0.0002   -0.0002   -0.0004   -0.0002
 AT.   7 SI X     0.0002   -0.0002   -0.0001   -0.0001   -0.0002   -0.0001
            Y     0.0003   -0.0005   -0.0005    0.0001   -0.0005    0.0004
            Z     0.0005   -0.0004    0.0002   -0.0002   -0.0004   -0.0002
 AT.   8 SI X     0.0002    0.0002    0.0001   -0.0001   -0.0002    0.0001
            Y     0.0003    0.0005    0.0005    0.0001   -0.0005   -0.0004
            Z    -0.0005   -0.0004    0.0002    0.0002    0.0004   -0.0002
 AT.   9 SI X    -0.0061    0.0061    0.0054    0.0056    0.0054    0.0057
            Y     0.0064   -0.0063   -0.0072   -0.0060   -0.0073   -0.0060
            Z    -0.0103    0.0104    0.0097    0.0100    0.0092    0.0099
 AT.  10 SI X    -0.0061   -0.0061   -0.0054    0.0056    0.0054   -0.0057
            Y     0.0064    0.0063    0.0072   -0.0060   -0.0073    0.0060
            Z     0.0103    0.0104    0.0097   -0.0100   -0.0092    0.0099
 AT.  11 SI X     0.0061    0.0061   -0.0054    0.0056    0.0054   -0.0057
            Y     0.0064    0.0063   -0.0072    0.0060    0.0073   -0.0060
            Z    -0.0103   -0.0104    0.0097   -0.0100   -0.0092    0.0099
 AT.  12 SI X     0.0061   -0.0061    0.0054    0.0056    0.0054    0.0057
            Y     0.0064   -0.0063    0.0072    0.0060    0.0073    0.0060
            Z     0.0103   -0.0104    0.0097    0.0100    0.0092    0.0099
 AT.  13 SI X     0.0061    0.0061    0.0054    0.0056   -0.0054   -0.0057
            Y    -0.0064   -0.0063   -0.0072   -0.0060    0.0073    0.0060
            Z     0.0103    0.0104    0.0097    0.0100   -0.0092   -0.0099
 AT.  14 SI X     0.0061   -0.0061   -0.0054    0.0056   -0.0054    0.0057
            Y    -0.0064    0.0063    0.0072   -0.0060    0.0073   -0.0060
            Z    -0.0103    0.0104    0.0097   -0.0100    0.0092   -0.0099
 AT.  15 SI X    -0.0061    0.0061   -0.0054    0.0056   -0.0054    0.0057
            Y    -0.0064    0.0063   -0.0072    0.0060   -0.0073    0.0060
            Z     0.0103   -0.0104    0.0097   -0.0100    0.0092   -0.0099
 AT.  16 SI X    -0.0061   -0.0061    0.0054    0.0056   -0.0054   -0.0057
            Y    -0.0064   -0.0063    0.0072    0.0060   -0.0073   -0.0060
            Z    -0.0103   -0.0104    0.0097    0.0100   -0.0092   -0.0099
 AT.  17 SI X     0.0000    0.0000    0.0151    0.0160    0.0150    0.0160
            Y    -0.0132    0.0131    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0111   -0.0106   -0.0114   -0.0105
 AT.  18 SI X     0.0000    0.0000   -0.0151    0.0160    0.0150   -0.0160
            Y    -0.0132   -0.0131    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0111    0.0106    0.0114   -0.0105
 AT.  19 SI X     0.0000    0.0000    0.0151    0.0160   -0.0150   -0.0160
            Y     0.0132    0.0131    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0111   -0.0106    0.0114    0.0105
 AT.  20 SI X     0.0000    0.0000   -0.0151    0.0160   -0.0150    0.0160
            Y     0.0132   -0.0131    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0111    0.0106   -0.0114    0.0105
 AT.  21 CA X     0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
            Y     0.0006   -0.0004   -0.0001   -0.0004   -0.0001   -0.0006
            Z     0.0002   -0.0002   -0.0004   -0.0004   -0.0003   -0.0003
 AT.  22 CA X     0.0000    0.0000    0.0000    0.0000    0.0001    0.0001
            Y     0.0006    0.0004    0.0001   -0.0004   -0.0001    0.0006
            Z    -0.0002   -0.0002   -0.0004    0.0004    0.0003   -0.0003
 AT.  23 CA X     0.0000    0.0000    0.0000    0.0000    0.0001    0.0001
            Y     0.0006    0.0004   -0.0001    0.0004    0.0001   -0.0006
            Z     0.0002    0.0002   -0.0004    0.0004    0.0003   -0.0003
 AT.  24 CA X     0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
            Y     0.0006   -0.0004    0.0001    0.0004    0.0001    0.0006
            Z    -0.0002    0.0002   -0.0004   -0.0004   -0.0003   -0.0003
 AT.  25 CA X     0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001
            Y    -0.0006   -0.0004   -0.0001   -0.0004    0.0001    0.0006
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            Y    -0.0025    0.0025   -0.0038    0.0035   -0.0028    0.0034
            Z     0.0096   -0.0097   -0.0101    0.0092   -0.0093    0.0091
 AT. 107 O  X     0.0160   -0.0160    0.0196   -0.0196    0.0196   -0.0196
            Y    -0.0025    0.0025    0.0038   -0.0035    0.0028   -0.0034
            Z    -0.0096    0.0097   -0.0101    0.0092   -0.0093    0.0091
 AT. 108 O  X     0.0160    0.0160   -0.0196   -0.0196    0.0196    0.0196
            Y    -0.0025   -0.0025   -0.0038   -0.0035    0.0028    0.0034
            Z     0.0096    0.0097   -0.0101   -0.0092    0.0093    0.0091
 AT. 109 O  X    -0.0066    0.0066    0.0095    0.0095    0.0100    0.0096
            Y    -0.0025    0.0025    0.0010    0.0013    0.0010    0.0013
            Z     0.0047   -0.0047   -0.0004   -0.0005   -0.0008   -0.0005
 AT. 110 O  X    -0.0066   -0.0066   -0.0095    0.0095    0.0100   -0.0096
            Y    -0.0025   -0.0025   -0.0010    0.0013    0.0010   -0.0013
            Z    -0.0047   -0.0047   -0.0004    0.0005    0.0008   -0.0005
 AT. 111 O  X     0.0066    0.0066   -0.0095    0.0095    0.0100   -0.0096
            Y    -0.0025   -0.0025    0.0010   -0.0013   -0.0010    0.0013
            Z     0.0047    0.0047   -0.0004    0.0005    0.0008   -0.0005
 AT. 112 O  X     0.0066   -0.0066    0.0095    0.0095    0.0100    0.0096
            Y    -0.0025    0.0025   -0.0010   -0.0013   -0.0010   -0.0013
            Z    -0.0047    0.0047   -0.0004   -0.0005   -0.0008   -0.0005
 AT. 113 O  X     0.0066    0.0066    0.0095    0.0095   -0.0100   -0.0096
            Y     0.0025    0.0025    0.0010    0.0013   -0.0010   -0.0013
            Z    -0.0047   -0.0047   -0.0004   -0.0005    0.0008    0.0005
 AT. 114 O  X     0.0066   -0.0066   -0.0095    0.0095   -0.0100    0.0096
            Y     0.0025   -0.0025   -0.0010    0.0013   -0.0010    0.0013
            Z     0.0047   -0.0047   -0.0004    0.0005   -0.0008    0.0005
 AT. 115 O  X    -0.0066    0.0066   -0.0095    0.0095   -0.0100    0.0096
            Y     0.0025   -0.0025    0.0010   -0.0013    0.0010   -0.0013
            Z    -0.0047    0.0047   -0.0004    0.0005   -0.0008    0.0005
 AT. 116 O  X    -0.0066   -0.0066    0.0095    0.0095   -0.0100   -0.0096
            Y     0.0025    0.0025   -0.0010   -0.0013    0.0010    0.0013
            Z     0.0047    0.0047   -0.0004   -0.0005    0.0008    0.0005
 AT. 117 O  X    -0.0141    0.0142   -0.0019   -0.0022   -0.0016   -0.0022
            Y     0.0039   -0.0039    0.0038    0.0034    0.0040    0.0033
            Z    -0.0112    0.0112    0.0038    0.0035    0.0036    0.0035
 AT. 118 O  X    -0.0141   -0.0142    0.0019   -0.0022   -0.0016    0.0022
            Y     0.0039    0.0039   -0.0038    0.0034    0.0040   -0.0033
            Z     0.0112    0.0112    0.0038   -0.0035   -0.0036    0.0035
 AT. 119 O  X     0.0141    0.0142    0.0019   -0.0022   -0.0016    0.0022
            Y     0.0039    0.0039    0.0038   -0.0034   -0.0040    0.0033
            Z    -0.0112   -0.0112    0.0038   -0.0035   -0.0036    0.0035
 AT. 120 O  X     0.0141   -0.0142   -0.0019   -0.0022   -0.0016   -0.0022
            Y     0.0039   -0.0039   -0.0038   -0.0034   -0.0040   -0.0033
            Z     0.0112   -0.0112    0.0038    0.0035    0.0036    0.0035
 AT. 121 O  X     0.0141    0.0142   -0.0019   -0.0022    0.0016    0.0022
            Y    -0.0039   -0.0039    0.0038    0.0034   -0.0040   -0.0033
            Z     0.0112    0.0112    0.0038    0.0035   -0.0036   -0.0035
 AT. 122 O  X     0.0141   -0.0142    0.0019   -0.0022    0.0016   -0.0022
            Y    -0.0039    0.0039   -0.0038    0.0034   -0.0040    0.0033
            Z    -0.0112    0.0112    0.0038   -0.0035    0.0036   -0.0035
 AT. 123 O  X    -0.0141    0.0142    0.0019   -0.0022    0.0016   -0.0022
            Y    -0.0039    0.0039    0.0038   -0.0034    0.0040   -0.0033
            Z     0.0112   -0.0112    0.0038   -0.0035    0.0036   -0.0035
 AT. 124 O  X    -0.0141   -0.0142   -0.0019   -0.0022    0.0016    0.0022
            Y    -0.0039   -0.0039   -0.0038   -0.0034    0.0040    0.0033
            Z    -0.0112   -0.0112    0.0038    0.0035   -0.0036   -0.0035

 FREQ(CM**-1)    814.29    814.42    816.00    816.76    818.12    818.44

 AT.   1 SI X    -0.0012   -0.0012   -0.0007    0.0007    0.0001   -0.0002
            Y    -0.0069   -0.0069   -0.0058    0.0065    0.0034   -0.0062
            Z    -0.0014   -0.0014   -0.0023    0.0005    0.0028    0.0003
 AT.   2 SI X    -0.0012    0.0012    0.0007    0.0007    0.0001    0.0002
            Y    -0.0069    0.0069    0.0058    0.0065    0.0034    0.0062
            Z     0.0014   -0.0014   -0.0023   -0.0005   -0.0028    0.0003
 AT.   3 SI X    -0.0012   -0.0012    0.0007   -0.0007    0.0001    0.0002
            Y     0.0069    0.0069   -0.0058    0.0065   -0.0034   -0.0062
            Z     0.0014    0.0014   -0.0023    0.0005   -0.0028    0.0003
 AT.   4 SI X    -0.0012    0.0012   -0.0007   -0.0007    0.0001   -0.0002
            Y     0.0069   -0.0069    0.0058    0.0065   -0.0034    0.0062
            Z    -0.0014    0.0014   -0.0023   -0.0005    0.0028    0.0003
 AT.   5 SI X     0.0012    0.0012   -0.0007    0.0007    0.0001    0.0002
            Y     0.0069    0.0069   -0.0058    0.0065    0.0034    0.0062
            Z     0.0014    0.0014   -0.0023    0.0005    0.0028   -0.0003
 AT.   6 SI X     0.0012   -0.0012    0.0007    0.0007    0.0001   -0.0002
            Y     0.0069   -0.0069    0.0058    0.0065    0.0034   -0.0062
            Z    -0.0014    0.0014   -0.0023   -0.0005   -0.0028   -0.0003
 AT.   7 SI X     0.0012    0.0012    0.0007   -0.0007    0.0001   -0.0002
            Y    -0.0069   -0.0069   -0.0058    0.0065   -0.0034    0.0062
            Z    -0.0014   -0.0014   -0.0023    0.0005   -0.0028   -0.0003
 AT.   8 SI X     0.0012   -0.0012   -0.0007   -0.0007    0.0001    0.0002
            Y    -0.0069    0.0069    0.0058    0.0065   -0.0034   -0.0062
            Z     0.0014   -0.0014   -0.0023   -0.0005    0.0028   -0.0003
 AT.   9 SI X     0.0000    0.0000   -0.0003    0.0000   -0.0008    0.0014
            Y     0.0003    0.0003    0.0008   -0.0002    0.0011   -0.0026
            Z     0.0000    0.0000   -0.0024    0.0002   -0.0053    0.0086
 AT.  10 SI X     0.0000    0.0000    0.0003    0.0000   -0.0008   -0.0014
            Y     0.0003   -0.0003   -0.0008   -0.0002    0.0011    0.0026
            Z     0.0000    0.0000   -0.0024   -0.0002    0.0053    0.0086
 AT.  11 SI X     0.0000    0.0000    0.0003    0.0000   -0.0008   -0.0014
            Y    -0.0003   -0.0003    0.0008   -0.0002   -0.0011   -0.0026
            Z     0.0000    0.0000   -0.0024    0.0002    0.0053    0.0086
 AT.  12 SI X     0.0000    0.0000   -0.0003    0.0000   -0.0008    0.0014
            Y    -0.0003    0.0003   -0.0008   -0.0002   -0.0011    0.0026
            Z     0.0000    0.0000   -0.0024   -0.0002   -0.0053    0.0086
 AT.  13 SI X     0.0000    0.0000   -0.0003    0.0000   -0.0008   -0.0014
            Y    -0.0003   -0.0003    0.0008   -0.0002    0.0011    0.0026
            Z     0.0000    0.0000   -0.0024    0.0002   -0.0053   -0.0086
 AT.  14 SI X     0.0000    0.0000    0.0003    0.0000   -0.0008    0.0014
            Y    -0.0003    0.0003   -0.0008   -0.0002    0.0011   -0.0026
            Z     0.0000    0.0000   -0.0024   -0.0002    0.0053   -0.0086
 AT.  15 SI X     0.0000    0.0000    0.0003    0.0000   -0.0008    0.0014
            Y     0.0003    0.0003    0.0008   -0.0002   -0.0011    0.0026
            Z     0.0000    0.0000   -0.0024    0.0002    0.0053   -0.0086
 AT.  16 SI X     0.0000    0.0000   -0.0003    0.0000   -0.0008   -0.0014
            Y     0.0003   -0.0003   -0.0008   -0.0002   -0.0011   -0.0026
            Z     0.0000    0.0000   -0.0024   -0.0002   -0.0053   -0.0086
 AT.  17 SI X     0.0001    0.0000    0.0011    0.0000    0.0009   -0.0024
            Y     0.0000    0.0001    0.0000   -0.0001    0.0000    0.0000
            Z    -0.0001    0.0000   -0.0011    0.0000   -0.0016    0.0034
 AT.  18 SI X     0.0001    0.0000   -0.0011    0.0000    0.0009    0.0024
            Y     0.0000   -0.0001    0.0000   -0.0001    0.0000    0.0000
            Z     0.0001    0.0000   -0.0011    0.0000    0.0016    0.0034
 AT.  19 SI X    -0.0001    0.0000    0.0011    0.0000    0.0009    0.0024
            Y     0.0000   -0.0001    0.0000   -0.0001    0.0000    0.0000
            Z     0.0001    0.0000   -0.0011    0.0000   -0.0016   -0.0034
 AT.  20 SI X    -0.0001    0.0000   -0.0011    0.0000    0.0009   -0.0024
            Y     0.0000    0.0001    0.0000   -0.0001    0.0000    0.0000
            Z    -0.0001    0.0000   -0.0011    0.0000    0.0016   -0.0034
 AT.  21 CA X     0.0002    0.0002    0.0005   -0.0005   -0.0002   -0.0002
            Y     0.0000    0.0000    0.0004   -0.0005    0.0010   -0.0008
            Z     0.0003    0.0003   -0.0006    0.0007    0.0004    0.0003
 AT.  22 CA X     0.0002   -0.0002   -0.0005   -0.0005   -0.0002    0.0002
            Y     0.0000    0.0000   -0.0004   -0.0005    0.0010    0.0008
            Z    -0.0003    0.0003   -0.0006   -0.0007   -0.0004    0.0003
 AT.  23 CA X     0.0002    0.0002   -0.0005    0.0005   -0.0002    0.0002
            Y     0.0000    0.0000    0.0004   -0.0005   -0.0010   -0.0008
            Z    -0.0003   -0.0003   -0.0006    0.0007   -0.0004    0.0003
 AT.  24 CA X     0.0002   -0.0002    0.0005    0.0005   -0.0002   -0.0002
            Y     0.0000    0.0000   -0.0004   -0.0005   -0.0010    0.0008
            Z     0.0003   -0.0003   -0.0006   -0.0007    0.0004    0.0003
 AT.  25 CA X    -0.0002   -0.0002    0.0005   -0.0005   -0.0002    0.0002
            Y     0.0000    0.0000    0.0004   -0.0005    0.0010    0.0008
            Z    -0.0003   -0.0003   -0.0006    0.0007    0.0004   -0.0003
 AT.  26 CA X    -0.0002    0.0002   -0.0005   -0.0005   -0.0002   -0.0002
            Y     0.0000    0.0000   -0.0004   -0.0005    0.0010   -0.0008
            Z     0.0003   -0.0003   -0.0006   -0.0007   -0.0004   -0.0003
 AT.  27 CA X    -0.0002   -0.0002   -0.0005    0.0005   -0.0002   -0.0002
            Y     0.0000    0.0000    0.0004   -0.0005   -0.0010    0.0008
            Z     0.0003    0.0003   -0.0006    0.0007   -0.0004   -0.0003
 AT.  28 CA X    -0.0002    0.0002    0.0005    0.0005   -0.0002    0.0002
            Y     0.0000    0.0000   -0.0004   -0.0005   -0.0010   -0.0008
            Z    -0.0003    0.0003   -0.0006   -0.0007    0.0004   -0.0003
 AT.  29 CA X     0.0000    0.0000    0.0001    0.0000    0.0000    0.0000
            Y     0.0000    0.0000   -0.0008    0.0010    0.0008    0.0000
            Z     0.0000    0.0000   -0.0007    0.0008    0.0010    0.0000
 AT.  30 CA X     0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000
            Y     0.0000    0.0000    0.0008    0.0010    0.0008    0.0000
            Z     0.0000    0.0000   -0.0007   -0.0008   -0.0010    0.0000
 AT.  31 CA X     0.0000    0.0000   -0.0001    0.0000    0.0000    0.0000
            Y     0.0000    0.0000   -0.0008    0.0010   -0.0008    0.0000
            Z     0.0000    0.0000   -0.0007    0.0008   -0.0010    0.0000
 AT.  32 CA X     0.0000    0.0000    0.0001    0.0000    0.0000    0.0000
            Y     0.0000    0.0000    0.0008    0.0010   -0.0008    0.0000
            Z     0.0000    0.0000   -0.0007   -0.0008    0.0010    0.0000
 AT.  33 CA X     0.0000    0.0000   -0.0001    0.0000    0.0000    0.0002
            Y    -0.0005   -0.0005   -0.0005    0.0005    0.0004   -0.0002
            Z     0.0003    0.0003    0.0004   -0.0003   -0.0005    0.0002
 AT.  34 CA X     0.0000    0.0000    0.0001    0.0000    0.0000   -0.0002
            Y    -0.0005    0.0005    0.0005    0.0005    0.0004    0.0002
            Z    -0.0003    0.0003    0.0004    0.0003    0.0005    0.0002
 AT.  35 CA X     0.0000    0.0000    0.0001    0.0000    0.0000   -0.0002
            Y     0.0005    0.0005   -0.0005    0.0005   -0.0004   -0.0002
            Z    -0.0003   -0.0003    0.0004   -0.0003    0.0005    0.0002
 AT.  36 CA X     0.0000    0.0000   -0.0001    0.0000    0.0000    0.0002
            Y     0.0005   -0.0005    0.0005    0.0005   -0.0004    0.0002
            Z     0.0003   -0.0003    0.0004    0.0003   -0.0005    0.0002
 AT.  37 CA X     0.0000    0.0000   -0.0001    0.0000    0.0000   -0.0002
            Y     0.0005    0.0005   -0.0005    0.0005    0.0004    0.0002
            Z    -0.0003   -0.0003    0.0004   -0.0003   -0.0005   -0.0002
 AT.  38 CA X     0.0000    0.0000    0.0001    0.0000    0.0000    0.0002
            Y     0.0005   -0.0005    0.0005    0.0005    0.0004   -0.0002
            Z     0.0003   -0.0003    0.0004    0.0003    0.0005   -0.0002
 AT.  39 CA X     0.0000    0.0000    0.0001    0.0000    0.0000    0.0002
            Y    -0.0005   -0.0005   -0.0005    0.0005   -0.0004    0.0002
            Z     0.0003    0.0003    0.0004   -0.0003    0.0005   -0.0002
 AT.  40 CA X     0.0000    0.0000   -0.0001    0.0000    0.0000   -0.0002
            Y    -0.0005    0.0005    0.0005    0.0005   -0.0004   -0.0002
            Z    -0.0003    0.0003    0.0004    0.0003   -0.0005   -0.0002
 AT.  41 CA X     0.0002    0.0002    0.0002   -0.0002   -0.0003    0.0002
            Y     0.0003    0.0003    0.0003   -0.0003   -0.0003    0.0001
            Z     0.0006    0.0006    0.0006   -0.0006   -0.0006    0.0002
 AT.  42 CA X     0.0002   -0.0002   -0.0002   -0.0002   -0.0003   -0.0002
            Y     0.0003   -0.0003   -0.0003   -0.0003   -0.0003   -0.0001
            Z    -0.0006    0.0006    0.0006    0.0006    0.0006    0.0002
 AT.  43 CA X     0.0002    0.0002   -0.0002    0.0002   -0.0003   -0.0002
            Y    -0.0003   -0.0003    0.0003   -0.0003    0.0003    0.0001
            Z    -0.0006   -0.0006    0.0006   -0.0006    0.0006    0.0002
 AT.  44 CA X     0.0002   -0.0002    0.0002    0.0002   -0.0003    0.0002
            Y    -0.0003    0.0003   -0.0003   -0.0003    0.0003   -0.0001
            Z     0.0006   -0.0006    0.0006    0.0006   -0.0006    0.0002
 AT.  45 CA X    -0.0002   -0.0002    0.0002   -0.0002   -0.0003   -0.0002
            Y    -0.0003   -0.0003    0.0003   -0.0003   -0.0003   -0.0001
            Z    -0.0006   -0.0006    0.0006   -0.0006   -0.0006   -0.0002
 AT.  46 CA X    -0.0002    0.0002   -0.0002   -0.0002   -0.0003    0.0002
            Y    -0.0003    0.0003   -0.0003   -0.0003   -0.0003    0.0001
            Z     0.0006   -0.0006    0.0006    0.0006    0.0006   -0.0002
 AT.  47 CA X    -0.0002   -0.0002   -0.0002    0.0002   -0.0003    0.0002
            Y     0.0003    0.0003    0.0003   -0.0003    0.0003   -0.0001
            Z     0.0006    0.0006    0.0006   -0.0006    0.0006   -0.0002
 AT.  48 CA X    -0.0002    0.0002    0.0002    0.0002   -0.0003   -0.0002
            Y     0.0003   -0.0003   -0.0003   -0.0003    0.0003    0.0001
            Z    -0.0006    0.0006    0.0006    0.0006   -0.0006   -0.0002
 AT.  49 CA X     0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
            Y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0001    0.0000   -0.0001    0.0001
 AT.  50 CA X     0.0000    0.0000    0.0000    0.0000    0.0001    0.0001
            Y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0001    0.0000    0.0001    0.0001
 AT.  51 CA X     0.0000    0.0000    0.0000    0.0000    0.0001    0.0001
            Y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0001    0.0000   -0.0001   -0.0001
 AT.  52 CA X     0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
            Y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0001    0.0000    0.0001   -0.0001
 AT.  53 O  X     0.0075    0.0075    0.0066   -0.0070   -0.0056    0.0049
            Y     0.0226    0.0226    0.0207   -0.0218   -0.0176    0.0151
            Z    -0.0006   -0.0006   -0.0004    0.0001   -0.0003   -0.0002
 AT.  54 O  X     0.0075   -0.0075   -0.0066   -0.0070   -0.0056   -0.0049
            Y     0.0226   -0.0226   -0.0207   -0.0218   -0.0176   -0.0151
            Z     0.0006   -0.0006   -0.0004   -0.0001    0.0003   -0.0002
 AT.  55 O  X     0.0075    0.0075   -0.0066    0.0070   -0.0056   -0.0049
            Y    -0.0226   -0.0226    0.0207   -0.0218    0.0176    0.0151
            Z     0.0006    0.0006   -0.0004    0.0001    0.0003   -0.0002
 AT.  56 O  X     0.0075   -0.0075    0.0066    0.0070   -0.0056    0.0049
            Y    -0.0226    0.0226   -0.0207   -0.0218    0.0176   -0.0151
            Z    -0.0006    0.0006   -0.0004   -0.0001   -0.0003   -0.0002
 AT.  57 O  X    -0.0075   -0.0075    0.0066   -0.0070   -0.0056   -0.0049
            Y    -0.0226   -0.0226    0.0207   -0.0218   -0.0176   -0.0151
            Z     0.0006    0.0006   -0.0004    0.0001   -0.0003    0.0002
 AT.  58 O  X    -0.0075    0.0075   -0.0066   -0.0070   -0.0056    0.0049
            Y    -0.0226    0.0226   -0.0207   -0.0218   -0.0176    0.0151
            Z    -0.0006    0.0006   -0.0004   -0.0001    0.0003    0.0002
 AT.  59 O  X    -0.0075   -0.0075   -0.0066    0.0070   -0.0056    0.0049
            Y     0.0226    0.0226    0.0207   -0.0218    0.0176   -0.0151
            Z    -0.0006   -0.0006   -0.0004    0.0001    0.0003    0.0002
 AT.  60 O  X    -0.0075    0.0075    0.0066    0.0070   -0.0056   -0.0049
            Y     0.0226   -0.0226   -0.0207   -0.0218    0.0176    0.0151
            Z     0.0006   -0.0006   -0.0004   -0.0001   -0.0003    0.0002
 AT.  61 O  X     0.0034    0.0034    0.0031   -0.0039   -0.0031    0.0013
            Y    -0.0051   -0.0051   -0.0047    0.0057    0.0050   -0.0026
            Z    -0.0087   -0.0087   -0.0084    0.0100    0.0087   -0.0043
 AT.  62 O  X     0.0034   -0.0034   -0.0031   -0.0039   -0.0031   -0.0013
            Y    -0.0051    0.0051    0.0047    0.0057    0.0050    0.0026
            Z     0.0087   -0.0087   -0.0084   -0.0100   -0.0087   -0.0043
 AT.  63 O  X     0.0034    0.0034   -0.0031    0.0039   -0.0031   -0.0013
            Y     0.0051    0.0051   -0.0047    0.0057   -0.0050   -0.0026
            Z     0.0087    0.0087   -0.0084    0.0100   -0.0087   -0.0043
 AT.  64 O  X     0.0034   -0.0034    0.0031    0.0039   -0.0031    0.0013
            Y     0.0051   -0.0051    0.0047    0.0057   -0.0050    0.0026
            Z    -0.0087    0.0087   -0.0084   -0.0100    0.0087   -0.0043
 AT.  65 O  X    -0.0034   -0.0034    0.0031   -0.0039   -0.0031   -0.0013
            Y     0.0051    0.0051   -0.0047    0.0057    0.0050    0.0026
            Z     0.0087    0.0087   -0.0084    0.0100    0.0087    0.0043
 AT.  66 O  X    -0.0034    0.0034   -0.0031   -0.0039   -0.0031    0.0013
            Y     0.0051   -0.0051    0.0047    0.0057    0.0050   -0.0026
            Z    -0.0087    0.0087   -0.0084   -0.0100   -0.0087    0.0043
 AT.  67 O  X    -0.0034   -0.0034   -0.0031    0.0039   -0.0031    0.0013
            Y    -0.0051   -0.0051   -0.0047    0.0057   -0.0050    0.0026
            Z    -0.0087   -0.0087   -0.0084    0.0100   -0.0087    0.0043
 AT.  68 O  X    -0.0034    0.0034    0.0031    0.0039   -0.0031   -0.0013
            Y    -0.0051    0.0051    0.0047    0.0057   -0.0050   -0.0026
            Z     0.0087   -0.0087   -0.0084   -0.0100    0.0087    0.0043
 AT.  69 O  X     0.0042    0.0042    0.0050   -0.0043   -0.0049    0.0014
            Y    -0.0057   -0.0057   -0.0063    0.0054    0.0061   -0.0018
            Z     0.0115    0.0115    0.0127   -0.0112   -0.0133    0.0042
 AT.  70 O  X     0.0042   -0.0042   -0.0050   -0.0043   -0.0049   -0.0014
            Y    -0.0057    0.0057    0.0063    0.0054    0.0061    0.0018
            Z    -0.0115    0.0115    0.0127    0.0112    0.0133    0.0042
 AT.  71 O  X     0.0042    0.0042   -0.0050    0.0043   -0.0049   -0.0014
            Y     0.0057    0.0057   -0.0063    0.0054   -0.0061   -0.0018
            Z    -0.0115   -0.0115    0.0127   -0.0112    0.0133    0.0042
 AT.  72 O  X     0.0042   -0.0042    0.0050    0.0043   -0.0049    0.0014
            Y     0.0057   -0.0057    0.0063    0.0054   -0.0061    0.0018
            Z     0.0115   -0.0115    0.0127    0.0112   -0.0133    0.0042
 AT.  73 O  X    -0.0042   -0.0042    0.0050   -0.0043   -0.0049   -0.0014
            Y     0.0057    0.0057   -0.0063    0.0054    0.0061    0.0018
            Z    -0.0115   -0.0115    0.0127   -0.0112   -0.0133   -0.0042
 AT.  74 O  X    -0.0042    0.0042   -0.0050   -0.0043   -0.0049    0.0014
            Y     0.0057   -0.0057    0.0063    0.0054    0.0061   -0.0018
            Z     0.0115   -0.0115    0.0127    0.0112    0.0133   -0.0042
 AT.  75 O  X    -0.0042   -0.0042   -0.0050    0.0043   -0.0049    0.0014
            Y    -0.0057   -0.0057   -0.0063    0.0054   -0.0061    0.0018
            Z     0.0115    0.0115    0.0127   -0.0112    0.0133   -0.0042
 AT.  76 O  X    -0.0042    0.0042    0.0050    0.0043   -0.0049   -0.0014
            Y    -0.0057    0.0057    0.0063    0.0054   -0.0061   -0.0018
            Z    -0.0115    0.0115    0.0127    0.0112   -0.0133   -0.0042
 AT.  77 O  X    -0.0140   -0.0141   -0.0145    0.0149    0.0141   -0.0078
            Y     0.0008    0.0009    0.0010   -0.0011   -0.0006    0.0004
            Z     0.0003    0.0003   -0.0002    0.0000   -0.0003    0.0002
 AT.  78 O  X    -0.0140    0.0141    0.0145    0.0149    0.0141    0.0078
            Y     0.0008   -0.0009   -0.0010   -0.0011   -0.0006   -0.0004
            Z    -0.0003    0.0003   -0.0002    0.0000    0.0003    0.0002
 AT.  79 O  X    -0.0140   -0.0141    0.0145   -0.0149    0.0141    0.0078
            Y    -0.0008   -0.0009    0.0010   -0.0011    0.0006    0.0004
            Z    -0.0003   -0.0003   -0.0002    0.0000    0.0003    0.0002
 AT.  80 O  X    -0.0140    0.0141   -0.0145   -0.0149    0.0141   -0.0078
            Y    -0.0008    0.0009   -0.0010   -0.0011    0.0006   -0.0004
            Z     0.0003   -0.0003   -0.0002    0.0000   -0.0003    0.0002
 AT.  81 O  X     0.0140    0.0141   -0.0145    0.0149    0.0141    0.0078
            Y    -0.0008   -0.0009    0.0010   -0.0011   -0.0006   -0.0004
            Z    -0.0003   -0.0003   -0.0002    0.0000   -0.0003   -0.0002
 AT.  82 O  X     0.0140   -0.0141    0.0145    0.0149    0.0141   -0.0078
            Y    -0.0008    0.0009   -0.0010   -0.0011   -0.0006    0.0004
            Z     0.0003   -0.0003   -0.0002    0.0000    0.0003   -0.0002
 AT.  83 O  X     0.0140    0.0141    0.0145   -0.0149    0.0141   -0.0078
            Y     0.0008    0.0009    0.0010   -0.0011    0.0006   -0.0004
            Z     0.0003    0.0003   -0.0002    0.0000    0.0003   -0.0002
 AT.  84 O  X     0.0140   -0.0141   -0.0145   -0.0149    0.0141    0.0078
            Y     0.0008   -0.0009   -0.0010   -0.0011    0.0006    0.0004
            Z    -0.0003    0.0003   -0.0002    0.0000   -0.0003   -0.0002
 AT.  85 O  X     0.0002    0.0002   -0.0017   -0.0001   -0.0035    0.0060
            Y     0.0000    0.0000    0.0021   -0.0001    0.0033   -0.0062
            Z     0.0002    0.0001    0.0034   -0.0004    0.0066   -0.0109
 AT.  86 O  X     0.0002   -0.0002    0.0017   -0.0001   -0.0035   -0.0060
            Y     0.0000    0.0000   -0.0021   -0.0001    0.0033    0.0062
            Z    -0.0002    0.0001    0.0034    0.0004   -0.0066   -0.0109
 AT.  87 O  X     0.0002    0.0002    0.0017    0.0001   -0.0035   -0.0060
            Y     0.0000    0.0000    0.0021   -0.0001   -0.0033   -0.0062
            Z    -0.0002   -0.0001    0.0034   -0.0004   -0.0066   -0.0109
 AT.  88 O  X     0.0002   -0.0002   -0.0017    0.0001   -0.0035    0.0060
            Y     0.0000    0.0000   -0.0021   -0.0001   -0.0033    0.0062
            Z     0.0002   -0.0001    0.0034    0.0004    0.0066   -0.0109
 AT.  89 O  X    -0.0002   -0.0002   -0.0017   -0.0001   -0.0035   -0.0060
            Y     0.0000    0.0000    0.0021   -0.0001    0.0033    0.0062
            Z    -0.0002   -0.0001    0.0034   -0.0004    0.0066    0.0109
 AT.  90 O  X    -0.0002    0.0002    0.0017   -0.0001   -0.0035    0.0060
            Y     0.0000    0.0000   -0.0021   -0.0001    0.0033   -0.0062
            Z     0.0002   -0.0001    0.0034    0.0004   -0.0066    0.0109
 AT.  91 O  X    -0.0002   -0.0002    0.0017    0.0001   -0.0035    0.0060
            Y     0.0000    0.0000    0.0021   -0.0001   -0.0033    0.0062
            Z     0.0002    0.0001    0.0034   -0.0004   -0.0066    0.0109
 AT.  92 O  X    -0.0002    0.0002   -0.0017    0.0001   -0.0035   -0.0060
            Y     0.0000    0.0000   -0.0021   -0.0001   -0.0033   -0.0062
            Z    -0.0002    0.0001    0.0034    0.0004    0.0066    0.0109
 AT.  93 O  X    -0.0004   -0.0004   -0.0014    0.0004   -0.0017    0.0036
            Y    -0.0007   -0.0006   -0.0028    0.0006   -0.0036    0.0074
            Z    -0.0003   -0.0003   -0.0007    0.0003    0.0000    0.0010
 AT.  94 O  X    -0.0004    0.0004    0.0014    0.0004   -0.0017   -0.0036
            Y    -0.0007    0.0006    0.0028    0.0006   -0.0036   -0.0074
            Z     0.0003   -0.0003   -0.0007   -0.0003    0.0000    0.0010
 AT.  95 O  X    -0.0004   -0.0004    0.0014   -0.0004   -0.0017   -0.0036
            Y     0.0007    0.0006   -0.0028    0.0006    0.0036    0.0074
            Z     0.0003    0.0003   -0.0007    0.0003    0.0000    0.0010
 AT.  96 O  X    -0.0004    0.0004   -0.0014   -0.0004   -0.0017    0.0036
            Y     0.0007   -0.0006    0.0028    0.0006    0.0036   -0.0074
            Z    -0.0003    0.0003   -0.0007   -0.0003    0.0000    0.0010
 AT.  97 O  X     0.0004    0.0004   -0.0014    0.0004   -0.0017   -0.0036
            Y     0.0007    0.0006   -0.0028    0.0006   -0.0036   -0.0074
            Z     0.0003    0.0003   -0.0007    0.0003    0.0000   -0.0010
 AT.  98 O  X     0.0004   -0.0004    0.0014    0.0004   -0.0017    0.0036
            Y     0.0007   -0.0006    0.0028    0.0006   -0.0036    0.0074
            Z    -0.0003    0.0003   -0.0007   -0.0003    0.0000   -0.0010
 AT.  99 O  X     0.0004    0.0004    0.0014   -0.0004   -0.0017    0.0036
            Y    -0.0007   -0.0006   -0.0028    0.0006    0.0036   -0.0074
            Z    -0.0003   -0.0003   -0.0007    0.0003    0.0000   -0.0010
 AT. 100 O  X     0.0004   -0.0004   -0.0014   -0.0004   -0.0017   -0.0036
            Y    -0.0007    0.0006    0.0028    0.0006    0.0036    0.0074
            Z     0.0003   -0.0003   -0.0007   -0.0003    0.0000   -0.0010
 AT. 101 O  X     0.0000   -0.0001   -0.0008    0.0001   -0.0007    0.0020
            Y    -0.0001   -0.0002   -0.0026    0.0002   -0.0045    0.0089
            Z     0.0002    0.0002    0.0029   -0.0003    0.0050   -0.0099
 AT. 102 O  X     0.0000    0.0001    0.0008    0.0001   -0.0007   -0.0020
            Y    -0.0001    0.0002    0.0026    0.0002   -0.0045   -0.0089
            Z    -0.0002    0.0002    0.0029    0.0003   -0.0050   -0.0099
 AT. 103 O  X     0.0000   -0.0001    0.0008   -0.0001   -0.0007   -0.0020
            Y     0.0001    0.0002   -0.0026    0.0002    0.0045    0.0089
            Z    -0.0002   -0.0002    0.0029   -0.0003   -0.0050   -0.0099
 AT. 104 O  X     0.0000    0.0001   -0.0008   -0.0001   -0.0007    0.0020
            Y     0.0001   -0.0002    0.0026    0.0002    0.0045   -0.0089
            Z     0.0002   -0.0002    0.0029    0.0003    0.0050   -0.0099
 AT. 105 O  X     0.0000    0.0001   -0.0008    0.0001   -0.0007   -0.0020
            Y     0.0001    0.0002   -0.0026    0.0002   -0.0045   -0.0089
            Z    -0.0002   -0.0002    0.0029   -0.0003    0.0050    0.0099
 AT. 106 O  X     0.0000   -0.0001    0.0008    0.0001   -0.0007    0.0020
            Y     0.0001   -0.0002    0.0026    0.0002   -0.0045    0.0089
            Z     0.0002   -0.0002    0.0029    0.0003   -0.0050    0.0099
 AT. 107 O  X     0.0000    0.0001    0.0008   -0.0001   -0.0007    0.0020
            Y    -0.0001   -0.0002   -0.0026    0.0002    0.0045   -0.0089
            Z     0.0002    0.0002    0.0029   -0.0003   -0.0050    0.0099
 AT. 108 O  X     0.0000   -0.0001   -0.0008   -0.0001   -0.0007   -0.0020
            Y    -0.0001    0.0002    0.0026    0.0002    0.0045    0.0089
            Z    -0.0002    0.0002    0.0029    0.0003    0.0050    0.0099
 AT. 109 O  X     0.0003    0.0002    0.0033   -0.0003    0.0058   -0.0106
            Y     0.0001    0.0001    0.0003   -0.0001   -0.0001   -0.0001
            Z     0.0002    0.0002    0.0001   -0.0002    0.0002    0.0000
 AT. 110 O  X     0.0003   -0.0002   -0.0033   -0.0003    0.0058    0.0106
            Y     0.0001   -0.0001   -0.0003   -0.0001   -0.0001    0.0001
            Z    -0.0002    0.0002    0.0001    0.0002   -0.0002    0.0000
 AT. 111 O  X     0.0003    0.0002   -0.0033    0.0003    0.0058    0.0106
            Y    -0.0001   -0.0001    0.0003   -0.0001    0.0001   -0.0001
            Z    -0.0002   -0.0002    0.0001   -0.0002   -0.0002    0.0000
 AT. 112 O  X     0.0003   -0.0002    0.0033    0.0003    0.0058   -0.0106
            Y    -0.0001    0.0001   -0.0003   -0.0001    0.0001    0.0001
            Z     0.0002   -0.0002    0.0001    0.0002    0.0002    0.0000
 AT. 113 O  X    -0.0003   -0.0002    0.0033   -0.0003    0.0058    0.0106
            Y    -0.0001   -0.0001    0.0003   -0.0001   -0.0001    0.0001
            Z    -0.0002   -0.0002    0.0001   -0.0002    0.0002    0.0000
 AT. 114 O  X    -0.0003    0.0002   -0.0033   -0.0003    0.0058   -0.0106
            Y    -0.0001    0.0001   -0.0003   -0.0001   -0.0001   -0.0001
            Z     0.0002   -0.0002    0.0001    0.0002   -0.0002    0.0000
 AT. 115 O  X    -0.0003   -0.0002   -0.0033    0.0003    0.0058   -0.0106
            Y     0.0001    0.0001    0.0003   -0.0001    0.0001    0.0001
            Z     0.0002    0.0002    0.0001   -0.0002   -0.0002    0.0000
 AT. 116 O  X    -0.0003    0.0002    0.0033    0.0003    0.0058    0.0106
            Y     0.0001   -0.0001   -0.0003   -0.0001    0.0001   -0.0001
            Z    -0.0002    0.0002    0.0001    0.0002    0.0002    0.0000
 AT. 117 O  X    -0.0001    0.0000    0.0001    0.0000    0.0008   -0.0014
            Y     0.0000    0.0001   -0.0002   -0.0001   -0.0002    0.0005
            Z     0.0000    0.0000   -0.0002    0.0000   -0.0005    0.0009
 AT. 118 O  X    -0.0001    0.0000   -0.0001    0.0000    0.0008    0.0014
            Y     0.0000   -0.0001    0.0002   -0.0001   -0.0002   -0.0005
            Z     0.0000    0.0000   -0.0002    0.0000    0.0005    0.0009
 AT. 119 O  X    -0.0001    0.0000   -0.0001    0.0000    0.0008    0.0014
            Y     0.0000   -0.0001   -0.0002   -0.0001    0.0002    0.0005
            Z     0.0000    0.0000   -0.0002    0.0000    0.0005    0.0009
 AT. 120 O  X    -0.0001    0.0000    0.0001    0.0000    0.0008   -0.0014
            Y     0.0000    0.0001    0.0002   -0.0001    0.0002   -0.0005
            Z     0.0000    0.0000   -0.0002    0.0000   -0.0005    0.0009
 AT. 121 O  X     0.0001    0.0000    0.0001    0.0000    0.0008    0.0014
            Y     0.0000   -0.0001   -0.0002   -0.0001   -0.0002   -0.0005
            Z     0.0000    0.0000   -0.0002    0.0000   -0.0005   -0.0009
 AT. 122 O  X     0.0001    0.0000   -0.0001    0.0000    0.0008   -0.0014
            Y     0.0000    0.0001    0.0002   -0.0001   -0.0002    0.0005
            Z     0.0000    0.0000   -0.0002    0.0000    0.0005   -0.0009
 AT. 123 O  X     0.0001    0.0000   -0.0001    0.0000    0.0008   -0.0014
            Y     0.0000    0.0001   -0.0002   -0.0001    0.0002   -0.0005
            Z     0.0000    0.0000   -0.0002    0.0000    0.0005   -0.0009
 AT. 124 O  X     0.0001    0.0000    0.0001    0.0000    0.0008    0.0014
            Y     0.0000   -0.0001    0.0002   -0.0001    0.0002    0.0005
            Z     0.0000    0.0000   -0.0002    0.0000   -0.0005   -0.0009

 FREQ(CM**-1)    818.67    821.53    823.43    826.22    826.75    844.43

 AT.   1 SI X    -0.0002   -0.0001    0.0000   -0.0001    0.0003   -0.0015
            Y    -0.0023    0.0023   -0.0049   -0.0042   -0.0004   -0.0104
            Z    -0.0030   -0.0013    0.0004    0.0056   -0.0005    0.0074
 AT.   2 SI X     0.0002   -0.0001    0.0000    0.0001   -0.0003   -0.0015
            Y     0.0023    0.0023   -0.0049    0.0042    0.0004   -0.0104
            Z    -0.0030    0.0013   -0.0004    0.0056   -0.0005   -0.0074
 AT.   3 SI X    -0.0002   -0.0001    0.0000    0.0001   -0.0003    0.0015
            Y     0.0023   -0.0023   -0.0049   -0.0042   -0.0004   -0.0104
            Z     0.0030    0.0013    0.0004    0.0056   -0.0005    0.0074
 AT.   4 SI X     0.0002   -0.0001    0.0000   -0.0001    0.0003    0.0015
            Y    -0.0023   -0.0023   -0.0049    0.0042    0.0004   -0.0104
            Z     0.0030   -0.0013   -0.0004    0.0056   -0.0005   -0.0074
 AT.   5 SI X    -0.0002   -0.0001    0.0000   -0.0001   -0.0003    0.0015
            Y    -0.0023    0.0023    0.0049   -0.0042    0.0004    0.0104
            Z    -0.0030   -0.0013   -0.0004    0.0056    0.0005   -0.0074
 AT.   6 SI X     0.0002   -0.0001    0.0000    0.0001    0.0003    0.0015
            Y     0.0023    0.0023    0.0049    0.0042   -0.0004    0.0104
            Z    -0.0030    0.0013    0.0004    0.0056    0.0005    0.0074
 AT.   7 SI X    -0.0002   -0.0001    0.0000    0.0001    0.0003   -0.0015
            Y     0.0023   -0.0023    0.0049   -0.0042    0.0004    0.0104
            Z     0.0030    0.0013   -0.0004    0.0056    0.0005   -0.0074
 AT.   8 SI X     0.0002   -0.0001    0.0000   -0.0001   -0.0003   -0.0015
            Y    -0.0023   -0.0023    0.0049    0.0042   -0.0004    0.0104
            Z     0.0030   -0.0013    0.0004    0.0056    0.0005    0.0074
 AT.   9 SI X     0.0001   -0.0017    0.0002    0.0019   -0.0013    0.0017
            Y     0.0005    0.0037    0.0007   -0.0032    0.0030   -0.0001
            Z     0.0015   -0.0088    0.0025    0.0090   -0.0048    0.0053
 AT.  10 SI X    -0.0001   -0.0017    0.0002   -0.0019    0.0013    0.0017
            Y    -0.0005    0.0037    0.0007    0.0032   -0.0030   -0.0001
            Z     0.0015    0.0088   -0.0025    0.0090   -0.0048   -0.0053
 AT.  11 SI X     0.0001   -0.0017   -0.0002   -0.0019    0.0013   -0.0017
            Y    -0.0005   -0.0037    0.0007   -0.0032    0.0030   -0.0001
            Z    -0.0015    0.0088    0.0025    0.0090   -0.0048    0.0053
 AT.  12 SI X    -0.0001   -0.0017   -0.0002    0.0019   -0.0013   -0.0017
            Y     0.0005   -0.0037    0.0007    0.0032   -0.0030   -0.0001
            Z    -0.0015   -0.0088   -0.0025    0.0090   -0.0048   -0.0053
 AT.  13 SI X     0.0001   -0.0017   -0.0002    0.0019    0.0013   -0.0017
            Y     0.0005    0.0037   -0.0007   -0.0032   -0.0030    0.0001
            Z     0.0015   -0.0088   -0.0025    0.0090    0.0048   -0.0053
 AT.  14 SI X    -0.0001   -0.0017   -0.0002   -0.0019   -0.0013   -0.0017
            Y    -0.0005    0.0037   -0.0007    0.0032    0.0030    0.0001
            Z     0.0015    0.0088    0.0025    0.0090    0.0048    0.0053
 AT.  15 SI X     0.0001   -0.0017    0.0002   -0.0019   -0.0013    0.0017
            Y    -0.0005   -0.0037   -0.0007   -0.0032   -0.0030    0.0001
            Z    -0.0015    0.0088   -0.0025    0.0090    0.0048   -0.0053
 AT.  16 SI X    -0.0001   -0.0017    0.0002    0.0019    0.0013    0.0017
            Y     0.0005   -0.0037   -0.0007    0.0032    0.0030    0.0001
            Z    -0.0015   -0.0088    0.0025    0.0090    0.0048    0.0053
 AT.  17 SI X     0.0000    0.0030    0.0000   -0.0038    0.0019    0.0000
            Y     0.0001    0.0000   -0.0005    0.0000    0.0000   -0.0025
            Z     0.0000   -0.0041    0.0000    0.0029   -0.0027    0.0000
 AT.  18 SI X     0.0000    0.0030    0.0000    0.0038   -0.0019    0.0000
            Y    -0.0001    0.0000   -0.0005    0.0000    0.0000   -0.0025
            Z     0.0000    0.0041    0.0000    0.0029   -0.0027    0.0000
 AT.  19 SI X     0.0000    0.0030    0.0000   -0.0038   -0.0019    0.0000
            Y     0.0001    0.0000    0.0005    0.0000    0.0000    0.0025
            Z     0.0000   -0.0041    0.0000    0.0029    0.0027    0.0000
 AT.  20 SI X     0.0000    0.0030    0.0000    0.0038    0.0019    0.0000
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 AT.  93 O  X    -0.0001   -0.0044    0.0002    0.0043   -0.0030    0.0022
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 AT.  94 O  X     0.0001   -0.0044    0.0002   -0.0043    0.0030    0.0022
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 AT.  96 O  X     0.0001   -0.0044   -0.0002    0.0043   -0.0030   -0.0022
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 AT.  97 O  X    -0.0001   -0.0044   -0.0002    0.0043    0.0030   -0.0022
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 AT.  98 O  X     0.0001   -0.0044   -0.0002   -0.0043   -0.0030   -0.0022
            Y    -0.0001   -0.0090   -0.0008   -0.0097   -0.0061   -0.0060
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 AT.  99 O  X    -0.0001   -0.0044    0.0002   -0.0043   -0.0030    0.0022
            Y    -0.0001    0.0090   -0.0008    0.0097    0.0061   -0.0060
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 AT. 100 O  X     0.0001   -0.0044    0.0002    0.0043    0.0030    0.0022
            Y     0.0001    0.0090   -0.0008   -0.0097   -0.0061   -0.0060
            Z     0.0006   -0.0016   -0.0004    0.0011    0.0013    0.0009
 AT. 101 O  X    -0.0001   -0.0023    0.0003    0.0021   -0.0015    0.0011
            Y    -0.0002   -0.0103    0.0004    0.0088   -0.0066    0.0012
            Z     0.0000    0.0114   -0.0007   -0.0104    0.0073   -0.0020
 AT. 102 O  X     0.0001   -0.0023    0.0003   -0.0021    0.0015    0.0011
            Y     0.0002   -0.0103    0.0004   -0.0088    0.0066    0.0012
            Z     0.0000   -0.0114    0.0007   -0.0104    0.0073    0.0020
 AT. 103 O  X    -0.0001   -0.0023   -0.0003   -0.0021    0.0015   -0.0011
            Y     0.0002    0.0103    0.0004    0.0088   -0.0066    0.0012
            Z     0.0000   -0.0114   -0.0007   -0.0104    0.0073   -0.0020
 AT. 104 O  X     0.0001   -0.0023   -0.0003    0.0021   -0.0015   -0.0011
            Y    -0.0002    0.0103    0.0004   -0.0088    0.0066    0.0012
            Z     0.0000    0.0114    0.0007   -0.0104    0.0073    0.0020
 AT. 105 O  X    -0.0001   -0.0023   -0.0003    0.0021    0.0015   -0.0011
            Y    -0.0002   -0.0103   -0.0004    0.0088    0.0066   -0.0012
            Z     0.0000    0.0114    0.0007   -0.0104   -0.0073    0.0020
 AT. 106 O  X     0.0001   -0.0023   -0.0003   -0.0021   -0.0015   -0.0011
            Y     0.0002   -0.0103   -0.0004   -0.0088   -0.0066   -0.0012
            Z     0.0000   -0.0114   -0.0007   -0.0104   -0.0073   -0.0020
 AT. 107 O  X    -0.0001   -0.0023    0.0003   -0.0021   -0.0015    0.0011
            Y     0.0002    0.0103   -0.0004    0.0088    0.0066   -0.0012
            Z     0.0000   -0.0114    0.0007   -0.0104   -0.0073    0.0020
 AT. 108 O  X     0.0001   -0.0023    0.0003    0.0021    0.0015    0.0011
            Y    -0.0002    0.0103   -0.0004   -0.0088   -0.0066   -0.0012
            Z     0.0000    0.0114   -0.0007   -0.0104   -0.0073   -0.0020
 AT. 109 O  X    -0.0012    0.0117   -0.0025   -0.0128    0.0072   -0.0098
            Y     0.0003    0.0003    0.0002   -0.0005    0.0002   -0.0001
            Z    -0.0002    0.0000   -0.0002   -0.0002    0.0000   -0.0001
 AT. 110 O  X     0.0012    0.0117   -0.0025    0.0128   -0.0072   -0.0098
            Y    -0.0003    0.0003    0.0002    0.0005   -0.0002   -0.0001
            Z    -0.0002    0.0000    0.0002   -0.0002    0.0000    0.0001
 AT. 111 O  X    -0.0012    0.0117    0.0025    0.0128   -0.0072    0.0098
            Y    -0.0003   -0.0003    0.0002   -0.0005    0.0002   -0.0001
            Z     0.0002    0.0000   -0.0002   -0.0002    0.0000   -0.0001
 AT. 112 O  X     0.0012    0.0117    0.0025   -0.0128    0.0072    0.0098
            Y     0.0003   -0.0003    0.0002    0.0005   -0.0002   -0.0001
            Z     0.0002    0.0000    0.0002   -0.0002    0.0000    0.0001
 AT. 113 O  X    -0.0012    0.0117    0.0025   -0.0128   -0.0072    0.0098
            Y     0.0003    0.0003   -0.0002   -0.0005   -0.0002    0.0001
            Z    -0.0002    0.0000    0.0002   -0.0002    0.0000    0.0001
 AT. 114 O  X     0.0012    0.0117    0.0025    0.0128    0.0072    0.0098
            Y    -0.0003    0.0003   -0.0002    0.0005    0.0002    0.0001
            Z    -0.0002    0.0000   -0.0002   -0.0002    0.0000   -0.0001
 AT. 115 O  X    -0.0012    0.0117   -0.0025    0.0128    0.0072   -0.0098
            Y    -0.0003   -0.0003   -0.0002   -0.0005   -0.0002    0.0001
            Z     0.0002    0.0000    0.0002   -0.0002    0.0000    0.0001
 AT. 116 O  X     0.0012    0.0117   -0.0025   -0.0128   -0.0072   -0.0098
            Y     0.0003   -0.0003   -0.0002    0.0005    0.0002    0.0001
            Z     0.0002    0.0000   -0.0002   -0.0002    0.0000   -0.0001
 AT. 117 O  X     0.0005    0.0016    0.0009    0.0000    0.0011    0.0026
            Y     0.0001   -0.0006    0.0002    0.0014   -0.0004    0.0011
            Z     0.0005   -0.0011    0.0009    0.0010   -0.0006    0.0025
 AT. 118 O  X    -0.0005    0.0016    0.0009    0.0000   -0.0011    0.0026
            Y    -0.0001   -0.0006    0.0002   -0.0014    0.0004    0.0011
            Z     0.0005    0.0011   -0.0009    0.0010   -0.0006   -0.0025
 AT. 119 O  X     0.0005    0.0016   -0.0009    0.0000   -0.0011   -0.0026
            Y    -0.0001    0.0006    0.0002    0.0014   -0.0004    0.0011
            Z    -0.0005    0.0011    0.0009    0.0010   -0.0006    0.0025
 AT. 120 O  X    -0.0005    0.0016   -0.0009    0.0000    0.0011   -0.0026
            Y     0.0001    0.0006    0.0002   -0.0014    0.0004    0.0011
            Z    -0.0005   -0.0011   -0.0009    0.0010   -0.0006   -0.0025
 AT. 121 O  X     0.0005    0.0016   -0.0009    0.0000   -0.0011   -0.0026
            Y     0.0001   -0.0006   -0.0002    0.0014    0.0004   -0.0011
            Z     0.0005   -0.0011   -0.0009    0.0010    0.0006   -0.0025
 AT. 122 O  X    -0.0005    0.0016   -0.0009    0.0000    0.0011   -0.0026
            Y    -0.0001   -0.0006   -0.0002   -0.0014   -0.0004   -0.0011
            Z     0.0005    0.0011    0.0009    0.0010    0.0006    0.0025
 AT. 123 O  X     0.0005    0.0016    0.0009    0.0000    0.0011    0.0026
            Y    -0.0001    0.0006   -0.0002    0.0014    0.0004   -0.0011
            Z    -0.0005    0.0011   -0.0009    0.0010    0.0006   -0.0025
 AT. 124 O  X    -0.0005    0.0016    0.0009    0.0000   -0.0011    0.0026
            Y     0.0001    0.0006   -0.0002   -0.0014   -0.0004   -0.0011
            Z    -0.0005   -0.0011    0.0009    0.0010    0.0006    0.0025

 FREQ(CM**-1)    846.07    846.82    846.96    847.63    849.88    851.57

 AT.   1 SI X    -0.0007   -0.0016    0.0015   -0.0004    0.0015   -0.0012
            Y    -0.0104   -0.0146    0.0143   -0.0026    0.0123   -0.0054
            Z    -0.0015    0.0024   -0.0022    0.0018   -0.0105    0.0041
 AT.   2 SI X    -0.0007   -0.0016   -0.0015    0.0004   -0.0015    0.0012
            Y    -0.0104   -0.0146   -0.0143    0.0026   -0.0123    0.0054
            Z     0.0015   -0.0024   -0.0022    0.0018   -0.0105    0.0041
 AT.   3 SI X     0.0007   -0.0016    0.0015   -0.0004   -0.0015   -0.0012
            Y    -0.0104    0.0146   -0.0143    0.0026    0.0123    0.0054
            Z    -0.0015   -0.0024    0.0022   -0.0018   -0.0105   -0.0041
 AT.   4 SI X     0.0007   -0.0016   -0.0015    0.0004    0.0015    0.0012
            Y    -0.0104    0.0146    0.0143   -0.0026   -0.0123   -0.0054
            Z     0.0015    0.0024    0.0022   -0.0018   -0.0105   -0.0041
 AT.   5 SI X    -0.0007    0.0016   -0.0015   -0.0004   -0.0015    0.0012
            Y    -0.0104    0.0146   -0.0143   -0.0026   -0.0123    0.0054
            Z    -0.0015   -0.0024    0.0022    0.0018    0.0105   -0.0041
 AT.   6 SI X    -0.0007    0.0016    0.0015    0.0004    0.0015   -0.0012
            Y    -0.0104    0.0146    0.0143    0.0026    0.0123   -0.0054
            Z     0.0015    0.0024    0.0022    0.0018    0.0105   -0.0041
 AT.   7 SI X     0.0007    0.0016   -0.0015   -0.0004    0.0015    0.0012
            Y    -0.0104   -0.0146    0.0143    0.0026   -0.0123   -0.0054
            Z    -0.0015    0.0024   -0.0022   -0.0018    0.0105    0.0041
 AT.   8 SI X     0.0007    0.0016    0.0015    0.0004   -0.0015   -0.0012
            Y    -0.0104   -0.0146   -0.0143   -0.0026    0.0123    0.0054
            Z     0.0015   -0.0024   -0.0022   -0.0018    0.0105    0.0041
 AT.   9 SI X     0.0025    0.0012   -0.0013    0.0030    0.0011   -0.0033
            Y    -0.0024   -0.0016    0.0014   -0.0004   -0.0016    0.0034
            Z     0.0061    0.0026   -0.0029    0.0091    0.0033   -0.0069
 AT.  10 SI X     0.0025    0.0012    0.0013   -0.0030   -0.0011    0.0033
            Y    -0.0024   -0.0016   -0.0014    0.0004    0.0016   -0.0034
            Z    -0.0061   -0.0026   -0.0029    0.0091    0.0033   -0.0069
 AT.  11 SI X    -0.0025    0.0012   -0.0013    0.0030   -0.0011   -0.0033
            Y    -0.0024    0.0016   -0.0014    0.0004   -0.0016   -0.0034
            Z     0.0061   -0.0026    0.0029   -0.0091    0.0033    0.0069
 AT.  12 SI X    -0.0025    0.0012    0.0013   -0.0030    0.0011    0.0033
            Y    -0.0024    0.0016    0.0014   -0.0004    0.0016    0.0034
            Z    -0.0061    0.0026    0.0029   -0.0091    0.0033    0.0069
 AT.  13 SI X     0.0025   -0.0012    0.0013    0.0030   -0.0011    0.0033
            Y    -0.0024    0.0016   -0.0014   -0.0004    0.0016   -0.0034
            Z     0.0061   -0.0026    0.0029    0.0091   -0.0033    0.0069
 AT.  14 SI X     0.0025   -0.0012   -0.0013   -0.0030    0.0011   -0.0033
            Y    -0.0024    0.0016    0.0014    0.0004   -0.0016    0.0034
            Z    -0.0061    0.0026    0.0029    0.0091   -0.0033    0.0069
 AT.  15 SI X    -0.0025   -0.0012    0.0013    0.0030    0.0011    0.0033
            Y    -0.0024   -0.0016    0.0014    0.0004    0.0016    0.0034
            Z     0.0061    0.0026   -0.0029   -0.0091   -0.0033   -0.0069
 AT.  16 SI X    -0.0025   -0.0012   -0.0013   -0.0030   -0.0011   -0.0033
            Y    -0.0024   -0.0016   -0.0014   -0.0004   -0.0016   -0.0034
            Z    -0.0061   -0.0026   -0.0029   -0.0091   -0.0033   -0.0069
 AT.  17 SI X     0.0000   -0.0019    0.0000    0.0000    0.0005    0.0000
            Y    -0.0030    0.0000    0.0020   -0.0029    0.0000    0.0026
            Z     0.0000   -0.0001    0.0000    0.0000    0.0005    0.0000
 AT.  18 SI X     0.0000   -0.0019    0.0000    0.0000   -0.0005    0.0000
            Y    -0.0030    0.0000   -0.0020    0.0029    0.0000   -0.0026
            Z     0.0000    0.0001    0.0000    0.0000    0.0005    0.0000
 AT.  19 SI X     0.0000    0.0019    0.0000    0.0000   -0.0005    0.0000
            Y    -0.0030    0.0000   -0.0020   -0.0029    0.0000   -0.0026
            Z     0.0000    0.0001    0.0000    0.0000   -0.0005    0.0000
 AT.  20 SI X     0.0000    0.0019    0.0000    0.0000    0.0005    0.0000
            Y    -0.0030    0.0000    0.0020    0.0029    0.0000    0.0026
            Z     0.0000   -0.0001    0.0000    0.0000   -0.0005    0.0000
 AT.  21 CA X     0.0001    0.0001   -0.0001    0.0000    0.0002   -0.0001
            Y     0.0004    0.0006   -0.0006    0.0001   -0.0004    0.0001
            Z     0.0002    0.0001   -0.0002    0.0001    0.0002    0.0000
 AT.  22 CA X     0.0001    0.0001    0.0001    0.0000   -0.0002    0.0001
            Y     0.0004    0.0006    0.0006   -0.0001    0.0004   -0.0001
            Z    -0.0002   -0.0001   -0.0002    0.0001    0.0002    0.0000
 AT.  23 CA X    -0.0001    0.0001   -0.0001    0.0000   -0.0002   -0.0001
            Y     0.0004   -0.0006    0.0006   -0.0001   -0.0004   -0.0001
            Z     0.0002   -0.0001    0.0002   -0.0001    0.0002    0.0000
 AT.  24 CA X    -0.0001    0.0001    0.0001    0.0000    0.0002    0.0001
            Y     0.0004   -0.0006   -0.0006    0.0001    0.0004    0.0001
            Z    -0.0002    0.0001    0.0002   -0.0001    0.0002    0.0000
 AT.  25 CA X     0.0001   -0.0001    0.0001    0.0000   -0.0002    0.0001
            Y     0.0004   -0.0006    0.0006    0.0001    0.0004   -0.0001
            Z     0.0002   -0.0001    0.0002    0.0001   -0.0002    0.0000
 AT.  26 CA X     0.0001   -0.0001   -0.0001    0.0000    0.0002   -0.0001
            Y     0.0004   -0.0006   -0.0006   -0.0001   -0.0004    0.0001
            Z    -0.0002    0.0001    0.0002    0.0001   -0.0002    0.0000
 AT.  27 CA X    -0.0001   -0.0001    0.0001    0.0000    0.0002    0.0001
            Y     0.0004    0.0006   -0.0006   -0.0001    0.0004    0.0001
            Z     0.0002    0.0001   -0.0002   -0.0001   -0.0002    0.0000
 AT.  28 CA X    -0.0001   -0.0001   -0.0001    0.0000   -0.0002   -0.0001
            Y     0.0004    0.0006    0.0006    0.0001   -0.0004   -0.0001
            Z    -0.0002   -0.0001   -0.0002   -0.0001   -0.0002    0.0000
 AT.  29 CA X     0.0005    0.0000    0.0000    0.0001    0.0000    0.0000
            Y    -0.0002    0.0000    0.0000   -0.0002    0.0000    0.0000
            Z     0.0009    0.0000    0.0000    0.0001    0.0000    0.0000
 AT.  30 CA X     0.0005    0.0000    0.0000   -0.0001    0.0000    0.0000
            Y    -0.0002    0.0000    0.0000    0.0002    0.0000    0.0000
            Z    -0.0009    0.0000    0.0000    0.0001    0.0000    0.0000
 AT.  31 CA X    -0.0005    0.0000    0.0000    0.0001    0.0000    0.0000
            Y    -0.0002    0.0000    0.0000    0.0002    0.0000    0.0000
            Z     0.0009    0.0000    0.0000   -0.0001    0.0000    0.0000
 AT.  32 CA X    -0.0005    0.0000    0.0000   -0.0001    0.0000    0.0000
            Y    -0.0002    0.0000    0.0000   -0.0002    0.0000    0.0000
            Z    -0.0009    0.0000    0.0000   -0.0001    0.0000    0.0000
 AT.  33 CA X     0.0001    0.0003   -0.0003    0.0001   -0.0003    0.0002
            Y    -0.0004   -0.0002    0.0003   -0.0002    0.0001    0.0002
            Z     0.0002   -0.0003    0.0003    0.0003    0.0005   -0.0010
 AT.  34 CA X     0.0001    0.0003    0.0003   -0.0001    0.0003   -0.0002
            Y    -0.0004   -0.0002   -0.0003    0.0002   -0.0001   -0.0002
            Z    -0.0002    0.0003    0.0003    0.0003    0.0005   -0.0010
 AT.  35 CA X    -0.0001    0.0003   -0.0003    0.0001    0.0003    0.0002
            Y    -0.0004    0.0002   -0.0003    0.0002    0.0001   -0.0002
            Z     0.0002    0.0003   -0.0003   -0.0003    0.0005    0.0010
 AT.  36 CA X    -0.0001    0.0003    0.0003   -0.0001   -0.0003   -0.0002
            Y    -0.0004    0.0002    0.0003   -0.0002   -0.0001    0.0002
            Z    -0.0002   -0.0003   -0.0003   -0.0003    0.0005    0.0010
 AT.  37 CA X     0.0001   -0.0003    0.0003    0.0001    0.0003   -0.0002
            Y    -0.0004    0.0002   -0.0003   -0.0002   -0.0001   -0.0002
            Z     0.0002    0.0003   -0.0003    0.0003   -0.0005    0.0010
 AT.  38 CA X     0.0001   -0.0003   -0.0003   -0.0001   -0.0003    0.0002
            Y    -0.0004    0.0002    0.0003    0.0002    0.0001    0.0002
            Z    -0.0002   -0.0003   -0.0003    0.0003   -0.0005    0.0010
 AT.  39 CA X    -0.0001   -0.0003    0.0003    0.0001   -0.0003   -0.0002
            Y    -0.0004   -0.0002    0.0003    0.0002   -0.0001    0.0002
            Z     0.0002   -0.0003    0.0003   -0.0003   -0.0005   -0.0010
 AT.  40 CA X    -0.0001   -0.0003   -0.0003   -0.0001    0.0003    0.0002
            Y    -0.0004   -0.0002   -0.0003   -0.0002    0.0001   -0.0002
            Z    -0.0002    0.0003    0.0003   -0.0003   -0.0005   -0.0010
 AT.  41 CA X     0.0002    0.0000    0.0000   -0.0001    0.0000   -0.0004
            Y     0.0000   -0.0001    0.0001   -0.0007    0.0003   -0.0001
            Z     0.0004    0.0001   -0.0001   -0.0004    0.0000   -0.0007
 AT.  42 CA X     0.0002    0.0000    0.0000    0.0001    0.0000    0.0004
            Y     0.0000   -0.0001   -0.0001    0.0007   -0.0003    0.0001
            Z    -0.0004   -0.0001   -0.0001   -0.0004    0.0000   -0.0007
 AT.  43 CA X    -0.0002    0.0000    0.0000   -0.0001    0.0000   -0.0004
            Y     0.0000    0.0001   -0.0001    0.0007    0.0003    0.0001
            Z     0.0004   -0.0001    0.0001    0.0004    0.0000    0.0007
 AT.  44 CA X    -0.0002    0.0000    0.0000    0.0001    0.0000    0.0004
            Y     0.0000    0.0001    0.0001   -0.0007   -0.0003   -0.0001
            Z    -0.0004    0.0001    0.0001    0.0004    0.0000    0.0007
 AT.  45 CA X     0.0002    0.0000    0.0000   -0.0001    0.0000    0.0004
            Y     0.0000    0.0001   -0.0001   -0.0007   -0.0003    0.0001
            Z     0.0004   -0.0001    0.0001   -0.0004    0.0000    0.0007
 AT.  46 CA X     0.0002    0.0000    0.0000    0.0001    0.0000   -0.0004
            Y     0.0000    0.0001    0.0001    0.0007    0.0003   -0.0001
            Z    -0.0004    0.0001    0.0001   -0.0004    0.0000    0.0007
 AT.  47 CA X    -0.0002    0.0000    0.0000   -0.0001    0.0000    0.0004
            Y     0.0000   -0.0001    0.0001    0.0007   -0.0003   -0.0001
            Z     0.0004    0.0001   -0.0001    0.0004    0.0000   -0.0007
 AT.  48 CA X    -0.0002    0.0000    0.0000    0.0001    0.0000   -0.0004
            Y     0.0000   -0.0001   -0.0001   -0.0007    0.0003    0.0001
            Z    -0.0004   -0.0001   -0.0001    0.0004    0.0000   -0.0007
 AT.  49 CA X     0.0000   -0.0001    0.0000    0.0000   -0.0001    0.0000
            Y    -0.0002    0.0000    0.0001   -0.0011    0.0000    0.0003
            Z     0.0000    0.0003    0.0000    0.0000    0.0002    0.0000
 AT.  50 CA X     0.0000   -0.0001    0.0000    0.0000    0.0001    0.0000
            Y    -0.0002    0.0000   -0.0001    0.0011    0.0000   -0.0003
            Z     0.0000   -0.0003    0.0000    0.0000    0.0002    0.0000
 AT.  51 CA X     0.0000    0.0001    0.0000    0.0000    0.0001    0.0000
            Y    -0.0002    0.0000   -0.0001   -0.0011    0.0000   -0.0003
            Z     0.0000   -0.0003    0.0000    0.0000   -0.0002    0.0000
 AT.  52 CA X     0.0000    0.0001    0.0000    0.0000   -0.0001    0.0000
            Y    -0.0002    0.0000    0.0001    0.0011    0.0000    0.0003
            Z     0.0000    0.0003    0.0000    0.0000   -0.0002    0.0000
 AT.  53 O  X     0.0025    0.0038   -0.0037    0.0005   -0.0041    0.0015
            Y     0.0084    0.0110   -0.0107    0.0019   -0.0122    0.0045
            Z    -0.0006   -0.0005    0.0005    0.0000    0.0012   -0.0005
 AT.  54 O  X     0.0025    0.0038    0.0037   -0.0005    0.0041   -0.0015
            Y     0.0084    0.0110    0.0107   -0.0019    0.0122   -0.0045
            Z     0.0006    0.0005    0.0005    0.0000    0.0012   -0.0005
 AT.  55 O  X    -0.0025    0.0038   -0.0037    0.0005    0.0041    0.0015
            Y     0.0084   -0.0110    0.0107   -0.0019   -0.0122   -0.0045
            Z    -0.0006    0.0005   -0.0005    0.0000    0.0012    0.0005
 AT.  56 O  X    -0.0025    0.0038    0.0037   -0.0005   -0.0041   -0.0015
            Y     0.0084   -0.0110   -0.0107    0.0019    0.0122    0.0045
            Z     0.0006   -0.0005   -0.0005    0.0000    0.0012    0.0005
 AT.  57 O  X     0.0025   -0.0038    0.0037    0.0005    0.0041   -0.0015
            Y     0.0084   -0.0110    0.0107    0.0019    0.0122   -0.0045
            Z    -0.0006    0.0005   -0.0005    0.0000   -0.0012    0.0005
 AT.  58 O  X     0.0025   -0.0038   -0.0037   -0.0005   -0.0041    0.0015
            Y     0.0084   -0.0110   -0.0107   -0.0019   -0.0122    0.0045
            Z     0.0006   -0.0005   -0.0005    0.0000   -0.0012    0.0005
 AT.  59 O  X    -0.0025   -0.0038    0.0037    0.0005   -0.0041   -0.0015
            Y     0.0084    0.0110   -0.0107   -0.0019    0.0122    0.0045
            Z    -0.0006   -0.0005    0.0005    0.0000   -0.0012   -0.0005
 AT.  60 O  X    -0.0025   -0.0038   -0.0037   -0.0005    0.0041    0.0015
            Y     0.0084    0.0110    0.0107    0.0019   -0.0122   -0.0045
            Z     0.0006    0.0005    0.0005    0.0000   -0.0012   -0.0005
 AT.  61 O  X    -0.0036   -0.0037    0.0037   -0.0006   -0.0006   -0.0003
            Y     0.0061    0.0063   -0.0063    0.0006   -0.0007    0.0006
            Z     0.0095    0.0093   -0.0092    0.0014    0.0018    0.0012
 AT.  62 O  X    -0.0036   -0.0037   -0.0037    0.0006    0.0006    0.0003
            Y     0.0061    0.0063    0.0063   -0.0006    0.0007   -0.0006
            Z    -0.0095   -0.0093   -0.0092    0.0014    0.0018    0.0012
 AT.  63 O  X     0.0036   -0.0037    0.0037   -0.0006    0.0006   -0.0003
            Y     0.0061   -0.0063    0.0063   -0.0006   -0.0007   -0.0006
            Z     0.0095   -0.0093    0.0092   -0.0014    0.0018   -0.0012
 AT.  64 O  X     0.0036   -0.0037   -0.0037    0.0006   -0.0006    0.0003
            Y     0.0061   -0.0063   -0.0063    0.0006    0.0007    0.0006
            Z    -0.0095    0.0093    0.0092   -0.0014    0.0018   -0.0012
 AT.  65 O  X    -0.0036    0.0037   -0.0037   -0.0006    0.0006    0.0003
            Y     0.0061   -0.0063    0.0063    0.0006    0.0007   -0.0006
            Z     0.0095   -0.0093    0.0092    0.0014   -0.0018   -0.0012
 AT.  66 O  X    -0.0036    0.0037    0.0037    0.0006   -0.0006   -0.0003
            Y     0.0061   -0.0063   -0.0063   -0.0006   -0.0007    0.0006
            Z    -0.0095    0.0093    0.0092    0.0014   -0.0018   -0.0012
 AT.  67 O  X     0.0036    0.0037   -0.0037   -0.0006   -0.0006    0.0003
            Y     0.0061    0.0063   -0.0063   -0.0006    0.0007    0.0006
            Z     0.0095    0.0093   -0.0092   -0.0014   -0.0018    0.0012
 AT.  68 O  X     0.0036    0.0037    0.0037    0.0006    0.0006   -0.0003
            Y     0.0061    0.0063    0.0063    0.0006   -0.0007   -0.0006
            Z    -0.0095   -0.0093   -0.0092   -0.0014   -0.0018    0.0012
 AT.  69 O  X    -0.0021   -0.0050    0.0048   -0.0013    0.0066   -0.0028
            Y     0.0031    0.0082   -0.0080    0.0021   -0.0094    0.0042
            Z    -0.0064   -0.0128    0.0124   -0.0038    0.0154   -0.0073
 AT.  70 O  X    -0.0021   -0.0050   -0.0048    0.0013   -0.0066    0.0028
            Y     0.0031    0.0082    0.0080   -0.0021    0.0094   -0.0042
            Z     0.0064    0.0128    0.0124   -0.0038    0.0154   -0.0073
 AT.  71 O  X     0.0021   -0.0050    0.0048   -0.0013   -0.0066   -0.0028
            Y     0.0031   -0.0082    0.0080   -0.0021   -0.0094   -0.0042
            Z    -0.0064    0.0128   -0.0124    0.0038    0.0154    0.0073
 AT.  72 O  X     0.0021   -0.0050   -0.0048    0.0013    0.0066    0.0028
            Y     0.0031   -0.0082   -0.0080    0.0021    0.0094    0.0042
            Z     0.0064   -0.0128   -0.0124    0.0038    0.0154    0.0073
 AT.  73 O  X    -0.0021    0.0050   -0.0048   -0.0013   -0.0066    0.0028
            Y     0.0031   -0.0082    0.0080    0.0021    0.0094   -0.0042
            Z    -0.0064    0.0128   -0.0124   -0.0038   -0.0154    0.0073
 AT.  74 O  X    -0.0021    0.0050    0.0048    0.0013    0.0066   -0.0028
            Y     0.0031   -0.0082   -0.0080   -0.0021   -0.0094    0.0042
            Z     0.0064   -0.0128   -0.0124   -0.0038   -0.0154    0.0073
 AT.  75 O  X     0.0021    0.0050   -0.0048   -0.0013    0.0066    0.0028
            Y     0.0031    0.0082   -0.0080   -0.0021    0.0094    0.0042
            Z    -0.0064   -0.0128    0.0124    0.0038   -0.0154   -0.0073
 AT.  76 O  X     0.0021    0.0050    0.0048    0.0013   -0.0066   -0.0028
            Y     0.0031    0.0082    0.0080    0.0021   -0.0094   -0.0042
            Z     0.0064    0.0128    0.0124    0.0038   -0.0154   -0.0073
 AT.  77 O  X     0.0042    0.0075   -0.0072    0.0020   -0.0043    0.0035
            Y     0.0009    0.0015   -0.0015    0.0000   -0.0013    0.0004
            Z     0.0001    0.0000    0.0000   -0.0003    0.0006   -0.0006
 AT.  78 O  X     0.0042    0.0075    0.0072   -0.0020    0.0043   -0.0035
            Y     0.0009    0.0015    0.0015    0.0000    0.0013   -0.0004
            Z    -0.0001    0.0000    0.0000   -0.0003    0.0006   -0.0006
 AT.  79 O  X    -0.0042    0.0075   -0.0072    0.0020    0.0043    0.0035
            Y     0.0009   -0.0015    0.0015    0.0000   -0.0013   -0.0004
            Z     0.0001    0.0000    0.0000    0.0003    0.0006    0.0006
 AT.  80 O  X    -0.0042    0.0075    0.0072   -0.0020   -0.0043   -0.0035
            Y     0.0009   -0.0015   -0.0015    0.0000    0.0013    0.0004
            Z    -0.0001    0.0000    0.0000    0.0003    0.0006    0.0006
 AT.  81 O  X     0.0042   -0.0075    0.0072    0.0020    0.0043   -0.0035
            Y     0.0009   -0.0015    0.0015    0.0000    0.0013   -0.0004
            Z     0.0001    0.0000    0.0000   -0.0003   -0.0006    0.0006
 AT.  82 O  X     0.0042   -0.0075   -0.0072   -0.0020   -0.0043    0.0035
            Y     0.0009   -0.0015   -0.0015    0.0000   -0.0013    0.0004
            Z    -0.0001    0.0000    0.0000   -0.0003   -0.0006    0.0006
 AT.  83 O  X    -0.0042   -0.0075    0.0072    0.0020   -0.0043   -0.0035
            Y     0.0009    0.0015   -0.0015    0.0000    0.0013    0.0004
            Z     0.0001    0.0000    0.0000    0.0003   -0.0006   -0.0006
 AT.  84 O  X    -0.0042   -0.0075   -0.0072   -0.0020    0.0043    0.0035
            Y     0.0009    0.0015    0.0015    0.0000   -0.0013   -0.0004
            Z    -0.0001    0.0000    0.0000    0.0003   -0.0006   -0.0006
 AT.  85 O  X     0.0052    0.0022   -0.0028    0.0078    0.0014   -0.0056
            Y    -0.0065   -0.0031    0.0037   -0.0089   -0.0009    0.0064
            Z    -0.0109   -0.0041    0.0053   -0.0171   -0.0039    0.0131
 AT.  86 O  X     0.0052    0.0022    0.0028   -0.0078   -0.0014    0.0056
            Y    -0.0065   -0.0031   -0.0037    0.0089    0.0009   -0.0064
            Z     0.0109    0.0041    0.0053   -0.0171   -0.0039    0.0131
 AT.  87 O  X    -0.0052    0.0022   -0.0028    0.0078   -0.0014   -0.0056
            Y    -0.0065    0.0031   -0.0037    0.0089   -0.0009   -0.0064
            Z    -0.0109    0.0041   -0.0053    0.0171   -0.0039   -0.0131
 AT.  88 O  X    -0.0052    0.0022    0.0028   -0.0078    0.0014    0.0056
            Y    -0.0065    0.0031    0.0037   -0.0089    0.0009    0.0064
            Z     0.0109   -0.0041   -0.0053    0.0171   -0.0039   -0.0131
 AT.  89 O  X     0.0052   -0.0022    0.0028    0.0078   -0.0014    0.0056
            Y    -0.0065    0.0031   -0.0037   -0.0089    0.0009   -0.0064
            Z    -0.0109    0.0041   -0.0053   -0.0171    0.0039   -0.0131
 AT.  90 O  X     0.0052   -0.0022   -0.0028   -0.0078    0.0014   -0.0056
            Y    -0.0065    0.0031    0.0037    0.0089   -0.0009    0.0064
            Z     0.0109   -0.0041   -0.0053   -0.0171    0.0039   -0.0131
 AT.  91 O  X    -0.0052   -0.0022    0.0028    0.0078    0.0014    0.0056
            Y    -0.0065   -0.0031    0.0037    0.0089    0.0009    0.0064
            Z    -0.0109   -0.0041    0.0053    0.0171    0.0039    0.0131
 AT.  92 O  X    -0.0052   -0.0022   -0.0028   -0.0078   -0.0014   -0.0056
            Y    -0.0065   -0.0031   -0.0037   -0.0089   -0.0009   -0.0064
            Z     0.0109    0.0041    0.0053    0.0171    0.0039    0.0131
 AT.  93 O  X     0.0042    0.0018   -0.0022    0.0038    0.0013   -0.0055
            Y     0.0107    0.0049   -0.0058    0.0106    0.0029   -0.0135
            Z     0.0003    0.0003   -0.0005    0.0005   -0.0005    0.0001
 AT.  94 O  X     0.0042    0.0018    0.0022   -0.0038   -0.0013    0.0055
            Y     0.0107    0.0049    0.0058   -0.0106   -0.0029    0.0135
            Z    -0.0003   -0.0003   -0.0005    0.0005   -0.0005    0.0001
 AT.  95 O  X    -0.0042    0.0018   -0.0022    0.0038   -0.0013   -0.0055
            Y     0.0107   -0.0049    0.0058   -0.0106    0.0029    0.0135
            Z     0.0003   -0.0003    0.0005   -0.0005   -0.0005   -0.0001
 AT.  96 O  X    -0.0042    0.0018    0.0022   -0.0038    0.0013    0.0055
            Y     0.0107   -0.0049   -0.0058    0.0106   -0.0029   -0.0135
            Z    -0.0003    0.0003    0.0005   -0.0005   -0.0005   -0.0001
 AT.  97 O  X     0.0042   -0.0018    0.0022    0.0038   -0.0013    0.0055
            Y     0.0107   -0.0049    0.0058    0.0106   -0.0029    0.0135
            Z     0.0003   -0.0003    0.0005    0.0005    0.0005   -0.0001
 AT.  98 O  X     0.0042   -0.0018   -0.0022   -0.0038    0.0013   -0.0055
            Y     0.0107   -0.0049   -0.0058   -0.0106    0.0029   -0.0135
            Z    -0.0003    0.0003    0.0005    0.0005    0.0005   -0.0001
 AT.  99 O  X    -0.0042   -0.0018    0.0022    0.0038    0.0013    0.0055
            Y     0.0107    0.0049   -0.0058   -0.0106   -0.0029   -0.0135
            Z     0.0003    0.0003   -0.0005   -0.0005    0.0005    0.0001
 AT. 100 O  X    -0.0042   -0.0018   -0.0022   -0.0038   -0.0013   -0.0055
            Y     0.0107    0.0049    0.0058    0.0106    0.0029    0.0135
            Z    -0.0003   -0.0003   -0.0005   -0.0005    0.0005    0.0001
 AT. 101 O  X     0.0010    0.0006   -0.0010    0.0005   -0.0003   -0.0002
            Y     0.0007    0.0021   -0.0011   -0.0002    0.0021    0.0008
            Z    -0.0024   -0.0030    0.0020   -0.0009   -0.0025    0.0007
 AT. 102 O  X     0.0010    0.0006    0.0010   -0.0005    0.0003    0.0002
            Y     0.0007    0.0021    0.0011    0.0002   -0.0021   -0.0008
            Z     0.0024    0.0030    0.0020   -0.0009   -0.0025    0.0007
 AT. 103 O  X    -0.0010    0.0006   -0.0010    0.0005    0.0003   -0.0002
            Y     0.0007   -0.0021    0.0011    0.0002    0.0021   -0.0008
            Z    -0.0024    0.0030   -0.0020    0.0009   -0.0025   -0.0007
 AT. 104 O  X    -0.0010    0.0006    0.0010   -0.0005   -0.0003    0.0002
            Y     0.0007   -0.0021   -0.0011   -0.0002   -0.0021    0.0008
            Z     0.0024   -0.0030   -0.0020    0.0009   -0.0025   -0.0007
 AT. 105 O  X     0.0010   -0.0006    0.0010    0.0005    0.0003    0.0002
            Y     0.0007   -0.0021    0.0011   -0.0002   -0.0021   -0.0008
            Z    -0.0024    0.0030   -0.0020   -0.0009    0.0025   -0.0007
 AT. 106 O  X     0.0010   -0.0006   -0.0010   -0.0005   -0.0003   -0.0002
            Y     0.0007   -0.0021   -0.0011    0.0002    0.0021    0.0008
            Z     0.0024   -0.0030   -0.0020   -0.0009    0.0025   -0.0007
 AT. 107 O  X    -0.0010   -0.0006    0.0010    0.0005   -0.0003    0.0002
            Y     0.0007    0.0021   -0.0011    0.0002   -0.0021    0.0008
            Z    -0.0024   -0.0030    0.0020    0.0009    0.0025    0.0007
 AT. 108 O  X    -0.0010   -0.0006   -0.0010   -0.0005    0.0003   -0.0002
            Y     0.0007    0.0021    0.0011   -0.0002    0.0021   -0.0008
            Z     0.0024    0.0030    0.0020    0.0009    0.0025    0.0007
 AT. 109 O  X    -0.0133   -0.0059    0.0072   -0.0167   -0.0037    0.0163
            Y    -0.0006   -0.0004    0.0004    0.0002    0.0004    0.0004
            Z    -0.0009   -0.0001    0.0002   -0.0009   -0.0008    0.0015
 AT. 110 O  X    -0.0133   -0.0059   -0.0072    0.0167    0.0037   -0.0163
            Y    -0.0006   -0.0004   -0.0004   -0.0002   -0.0004   -0.0004
            Z     0.0009    0.0001    0.0002   -0.0009   -0.0008    0.0015
 AT. 111 O  X     0.0133   -0.0059    0.0072   -0.0167    0.0037    0.0163
            Y    -0.0006    0.0004   -0.0004   -0.0002    0.0004   -0.0004
            Z    -0.0009    0.0001   -0.0002    0.0009   -0.0008   -0.0015
 AT. 112 O  X     0.0133   -0.0059   -0.0072    0.0167   -0.0037   -0.0163
            Y    -0.0006    0.0004    0.0004    0.0002   -0.0004    0.0004
            Z     0.0009   -0.0001   -0.0002    0.0009   -0.0008   -0.0015
 AT. 113 O  X    -0.0133    0.0059   -0.0072   -0.0167    0.0037   -0.0163
            Y    -0.0006    0.0004   -0.0004    0.0002   -0.0004   -0.0004
            Z    -0.0009    0.0001   -0.0002   -0.0009    0.0008   -0.0015
 AT. 114 O  X    -0.0133    0.0059    0.0072    0.0167   -0.0037    0.0163
            Y    -0.0006    0.0004    0.0004   -0.0002    0.0004    0.0004
            Z     0.0009   -0.0001   -0.0002   -0.0009    0.0008   -0.0015
 AT. 115 O  X     0.0133    0.0059   -0.0072   -0.0167   -0.0037   -0.0163
            Y    -0.0006   -0.0004    0.0004   -0.0002   -0.0004    0.0004
            Z    -0.0009   -0.0001    0.0002    0.0009    0.0008    0.0015
 AT. 116 O  X     0.0133    0.0059    0.0072    0.0167    0.0037    0.0163
            Y    -0.0006   -0.0004   -0.0004    0.0002    0.0004   -0.0004
            Z     0.0009    0.0001    0.0002    0.0009    0.0008    0.0015
 AT. 117 O  X     0.0037    0.0008   -0.0017    0.0048   -0.0008   -0.0049
            Y     0.0022    0.0014   -0.0010    0.0024    0.0000   -0.0030
            Z     0.0031    0.0006   -0.0012    0.0049    0.0002   -0.0044
 AT. 118 O  X     0.0037    0.0008    0.0017   -0.0048    0.0008    0.0049
            Y     0.0022    0.0014    0.0010   -0.0024    0.0000    0.0030
            Z    -0.0031   -0.0006   -0.0012    0.0049    0.0002   -0.0044
 AT. 119 O  X    -0.0037    0.0008   -0.0017    0.0048    0.0008   -0.0049
            Y     0.0022   -0.0014    0.0010   -0.0024    0.0000    0.0030
            Z     0.0031   -0.0006    0.0012   -0.0049    0.0002    0.0044
 AT. 120 O  X    -0.0037    0.0008    0.0017   -0.0048   -0.0008    0.0049
            Y     0.0022   -0.0014   -0.0010    0.0024    0.0000   -0.0030
            Z    -0.0031    0.0006    0.0012   -0.0049    0.0002    0.0044
 AT. 121 O  X     0.0037   -0.0008    0.0017    0.0048    0.0008    0.0049
            Y     0.0022   -0.0014    0.0010    0.0024    0.0000    0.0030
            Z     0.0031   -0.0006    0.0012    0.0049   -0.0002    0.0044
 AT. 122 O  X     0.0037   -0.0008   -0.0017   -0.0048   -0.0008   -0.0049
            Y     0.0022   -0.0014   -0.0010   -0.0024    0.0000   -0.0030
            Z    -0.0031    0.0006    0.0012    0.0049   -0.0002    0.0044
 AT. 123 O  X    -0.0037   -0.0008    0.0017    0.0048   -0.0008    0.0049
            Y     0.0022    0.0014   -0.0010   -0.0024    0.0000   -0.0030
            Z     0.0031    0.0006   -0.0012   -0.0049   -0.0002   -0.0044
 AT. 124 O  X    -0.0037   -0.0008   -0.0017   -0.0048    0.0008   -0.0049
            Y     0.0022    0.0014    0.0010    0.0024    0.0000    0.0030
            Z    -0.0031   -0.0006   -0.0012   -0.0049   -0.0002   -0.0044

 FREQ(CM**-1)    852.14    852.88    855.27    856.30    868.10    868.12

 AT.   1 SI X     0.0020   -0.0006   -0.0012   -0.0022   -0.0009    0.0009
            Y     0.0148   -0.0076   -0.0044   -0.0112   -0.0096    0.0092
            Z     0.0029    0.0068    0.0043    0.0003   -0.0116    0.0120
 AT.   2 SI X    -0.0020   -0.0006   -0.0012   -0.0022    0.0009    0.0009
            Y    -0.0148   -0.0076   -0.0044   -0.0112    0.0096    0.0092
            Z     0.0029   -0.0068   -0.0043   -0.0003   -0.0116   -0.0120
 AT.   3 SI X    -0.0020    0.0006   -0.0012    0.0022   -0.0009    0.0009
            Y     0.0148   -0.0076    0.0044   -0.0112    0.0096   -0.0092
            Z     0.0029    0.0068   -0.0043    0.0003    0.0116   -0.0120
 AT.   4 SI X     0.0020    0.0006   -0.0012    0.0022    0.0009    0.0009
            Y    -0.0148   -0.0076    0.0044   -0.0112   -0.0096   -0.0092
            Z     0.0029   -0.0068    0.0043   -0.0003    0.0116    0.0120
 AT.   5 SI X     0.0020    0.0006    0.0012   -0.0022   -0.0009    0.0009
            Y     0.0148    0.0076    0.0044   -0.0112   -0.0096    0.0092
            Z     0.0029   -0.0068   -0.0043    0.0003   -0.0116    0.0120
 AT.   6 SI X    -0.0020    0.0006    0.0012   -0.0022    0.0009    0.0009
            Y    -0.0148    0.0076    0.0044   -0.0112    0.0096    0.0092
            Z     0.0029    0.0068    0.0043   -0.0003   -0.0116   -0.0120
 AT.   7 SI X    -0.0020   -0.0006    0.0012    0.0022   -0.0009    0.0009
            Y     0.0148    0.0076   -0.0044   -0.0112    0.0096   -0.0092
            Z     0.0029   -0.0068    0.0043    0.0003    0.0116   -0.0120
 AT.   8 SI X     0.0020   -0.0006    0.0012    0.0022    0.0009    0.0009
            Y    -0.0148    0.0076   -0.0044   -0.0112   -0.0096   -0.0092
            Z     0.0029    0.0068   -0.0043   -0.0003    0.0116    0.0120
 AT.   9 SI X     0.0005   -0.0028   -0.0037   -0.0029   -0.0004    0.0008
            Y    -0.0015    0.0007    0.0056    0.0034    0.0040   -0.0045
            Z     0.0006   -0.0069   -0.0083   -0.0042    0.0023   -0.0009
 AT.  10 SI X    -0.0005   -0.0028   -0.0037   -0.0029    0.0004    0.0008
            Y     0.0015    0.0007    0.0056    0.0034   -0.0040   -0.0045
            Z     0.0006    0.0069    0.0083    0.0042    0.0023    0.0009
 AT.  11 SI X    -0.0005    0.0028   -0.0037    0.0029   -0.0004    0.0008
            Y    -0.0015    0.0007   -0.0056    0.0034   -0.0040    0.0045
            Z     0.0006   -0.0069    0.0083   -0.0042   -0.0023    0.0009
 AT.  12 SI X     0.0005    0.0028   -0.0037    0.0029    0.0004    0.0008
            Y     0.0015    0.0007   -0.0056    0.0034    0.0040    0.0045
            Z     0.0006    0.0069   -0.0083    0.0042   -0.0023   -0.0009
 AT.  13 SI X     0.0005    0.0028    0.0037   -0.0029   -0.0004    0.0008
            Y    -0.0015   -0.0007   -0.0056    0.0034    0.0040   -0.0045
            Z     0.0006    0.0069    0.0083   -0.0042    0.0023   -0.0009
 AT.  14 SI X    -0.0005    0.0028    0.0037   -0.0029    0.0004    0.0008
            Y     0.0015   -0.0007   -0.0056    0.0034   -0.0040   -0.0045
            Z     0.0006   -0.0069   -0.0083    0.0042    0.0023    0.0009
 AT.  15 SI X    -0.0005   -0.0028    0.0037    0.0029   -0.0004    0.0008
            Y    -0.0015   -0.0007    0.0056    0.0034   -0.0040    0.0045
            Z     0.0006    0.0069   -0.0083   -0.0042   -0.0023    0.0009
 AT.  16 SI X     0.0005   -0.0028    0.0037    0.0029    0.0004    0.0008
            Y     0.0015   -0.0007    0.0056    0.0034    0.0040    0.0045
            Z     0.0006   -0.0069    0.0083    0.0042   -0.0023   -0.0009
 AT.  17 SI X     0.0001    0.0000    0.0025    0.0000    0.0000   -0.0009
            Y     0.0000    0.0012    0.0000    0.0013    0.0003    0.0000
            Z     0.0010    0.0000    0.0017    0.0000    0.0000   -0.0005
 AT.  18 SI X    -0.0001    0.0000    0.0025    0.0000    0.0000   -0.0009
            Y     0.0000    0.0012    0.0000    0.0013   -0.0003    0.0000
            Z     0.0010    0.0000   -0.0017    0.0000    0.0000    0.0005
 AT.  19 SI X     0.0001    0.0000   -0.0025    0.0000    0.0000   -0.0009
            Y     0.0000   -0.0012    0.0000    0.0013    0.0003    0.0000
            Z     0.0010    0.0000   -0.0017    0.0000    0.0000   -0.0005
 AT.  20 SI X    -0.0001    0.0000   -0.0025    0.0000    0.0000   -0.0009
            Y     0.0000   -0.0012    0.0000    0.0013   -0.0003    0.0000
            Z     0.0010    0.0000    0.0017    0.0000    0.0000    0.0005
 AT.  21 CA X     0.0000   -0.0002   -0.0001   -0.0001   -0.0003    0.0002
            Y    -0.0005    0.0002    0.0001    0.0004   -0.0001    0.0000
            Z    -0.0001   -0.0002    0.0000    0.0000    0.0006   -0.0006
 AT.  22 CA X     0.0000   -0.0002   -0.0001   -0.0001    0.0003    0.0002
            Y     0.0005    0.0002    0.0001    0.0004    0.0001    0.0000
            Z    -0.0001    0.0002    0.0000    0.0000    0.0006    0.0006
 AT.  23 CA X     0.0000    0.0002   -0.0001    0.0001   -0.0003    0.0002
            Y    -0.0005    0.0002   -0.0001    0.0004    0.0001    0.0000
            Z    -0.0001   -0.0002    0.0000    0.0000   -0.0006    0.0006
 AT.  24 CA X     0.0000    0.0002   -0.0001    0.0001    0.0003    0.0002
            Y     0.0005    0.0002   -0.0001    0.0004   -0.0001    0.0000
            Z    -0.0001    0.0002    0.0000    0.0000   -0.0006   -0.0006
 AT.  25 CA X     0.0000    0.0002    0.0001   -0.0001   -0.0003    0.0002
            Y    -0.0005   -0.0002   -0.0001    0.0004   -0.0001    0.0000
            Z    -0.0001    0.0002    0.0000    0.0000    0.0006   -0.0006
 AT.  26 CA X     0.0000    0.0002    0.0001   -0.0001    0.0003    0.0002
            Y     0.0005   -0.0002   -0.0001    0.0004    0.0001    0.0000
            Z    -0.0001   -0.0002    0.0000    0.0000    0.0006    0.0006
 AT.  27 CA X     0.0000   -0.0002    0.0001    0.0001   -0.0003    0.0002
            Y    -0.0005   -0.0002    0.0001    0.0004    0.0001    0.0000
            Z    -0.0001    0.0002    0.0000    0.0000   -0.0006    0.0006
 AT.  28 CA X     0.0000   -0.0002    0.0001    0.0001    0.0003    0.0002
            Y     0.0005   -0.0002    0.0001    0.0004   -0.0001    0.0000
            Z    -0.0001   -0.0002    0.0000    0.0000   -0.0006   -0.0006
 AT.  29 CA X    -0.0008    0.0000    0.0000    0.0005    0.0008   -0.0008
            Y     0.0003    0.0000    0.0000   -0.0003    0.0001   -0.0002
            Z    -0.0016    0.0000    0.0000    0.0013    0.0008   -0.0008
 AT.  30 CA X     0.0008    0.0000    0.0000    0.0005   -0.0008   -0.0008
            Y    -0.0003    0.0000    0.0000   -0.0003   -0.0001   -0.0002
            Z    -0.0016    0.0000    0.0000   -0.0013    0.0008    0.0008
 AT.  31 CA X     0.0008    0.0000    0.0000   -0.0005    0.0008   -0.0008
            Y     0.0003    0.0000    0.0000   -0.0003   -0.0001    0.0002
            Z    -0.0016    0.0000    0.0000    0.0013   -0.0008    0.0008
 AT.  32 CA X    -0.0008    0.0000    0.0000   -0.0005   -0.0008   -0.0008
            Y    -0.0003    0.0000    0.0000   -0.0003    0.0001    0.0002
            Z    -0.0016    0.0000    0.0000   -0.0013   -0.0008   -0.0008
 AT.  33 CA X    -0.0002    0.0003    0.0002    0.0003   -0.0001    0.0001
            Y     0.0003    0.0001    0.0001    0.0000   -0.0006    0.0007
            Z     0.0006   -0.0006   -0.0009   -0.0011   -0.0001    0.0001
 AT.  34 CA X     0.0002    0.0003    0.0002    0.0003    0.0001    0.0001
            Y    -0.0003    0.0001    0.0001    0.0000    0.0006    0.0007
            Z     0.0006    0.0006    0.0009    0.0011   -0.0001   -0.0001
 AT.  35 CA X     0.0002   -0.0003    0.0002   -0.0003   -0.0001    0.0001
            Y     0.0003    0.0001   -0.0001    0.0000    0.0006   -0.0007
            Z     0.0006   -0.0006    0.0009   -0.0011    0.0001   -0.0001
 AT.  36 CA X    -0.0002   -0.0003    0.0002   -0.0003    0.0001    0.0001
            Y    -0.0003    0.0001   -0.0001    0.0000   -0.0006   -0.0007
            Z     0.0006    0.0006   -0.0009    0.0011    0.0001    0.0001
 AT.  37 CA X    -0.0002   -0.0003   -0.0002    0.0003   -0.0001    0.0001
            Y     0.0003   -0.0001   -0.0001    0.0000   -0.0006    0.0007
            Z     0.0006    0.0006    0.0009   -0.0011   -0.0001    0.0001
 AT.  38 CA X     0.0002   -0.0003   -0.0002    0.0003    0.0001    0.0001
            Y    -0.0003   -0.0001   -0.0001    0.0000    0.0006    0.0007
            Z     0.0006   -0.0006   -0.0009    0.0011   -0.0001   -0.0001
 AT.  39 CA X     0.0002    0.0003   -0.0002   -0.0003   -0.0001    0.0001
            Y     0.0003   -0.0001    0.0001    0.0000    0.0006   -0.0007
            Z     0.0006    0.0006   -0.0009   -0.0011    0.0001   -0.0001
 AT.  40 CA X    -0.0002    0.0003   -0.0002   -0.0003    0.0001    0.0001
            Y    -0.0003   -0.0001    0.0001    0.0000   -0.0006   -0.0007
            Z     0.0006   -0.0006    0.0009    0.0011    0.0001    0.0001
 AT.  41 CA X     0.0001    0.0001   -0.0002   -0.0004    0.0000    0.0000
            Y     0.0001    0.0004    0.0000   -0.0001    0.0000    0.0001
            Z     0.0003    0.0003   -0.0011   -0.0006    0.0000   -0.0001
 AT.  42 CA X    -0.0001    0.0001   -0.0002   -0.0004    0.0000    0.0000
            Y    -0.0001    0.0004    0.0000   -0.0001    0.0000    0.0001
            Z     0.0003   -0.0003    0.0011    0.0006    0.0000    0.0001
 AT.  43 CA X    -0.0001   -0.0001   -0.0002    0.0004    0.0000    0.0000
            Y     0.0001    0.0004    0.0000   -0.0001    0.0000   -0.0001
            Z     0.0003    0.0003    0.0011   -0.0006    0.0000    0.0001
 AT.  44 CA X     0.0001   -0.0001   -0.0002    0.0004    0.0000    0.0000
            Y    -0.0001    0.0004    0.0000   -0.0001    0.0000   -0.0001
            Z     0.0003   -0.0003   -0.0011    0.0006    0.0000   -0.0001
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            Y     0.0001   -0.0004    0.0000   -0.0001    0.0000    0.0001
            Z     0.0003   -0.0003    0.0011   -0.0006    0.0000   -0.0001
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            Y    -0.0001   -0.0004    0.0000   -0.0001    0.0000   -0.0001
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            Y     0.0000    0.0007    0.0000    0.0002   -0.0002    0.0000
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            Y     0.0000   -0.0007    0.0000    0.0002   -0.0002    0.0000
            Z     0.0001    0.0000    0.0008    0.0000    0.0000    0.0002
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            Z     0.0001    0.0000   -0.0008    0.0000    0.0000   -0.0002
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            Z     0.0009    0.0008    0.0006    0.0007   -0.0003   -0.0004
 AT.  55 O  X     0.0035   -0.0029    0.0013   -0.0028    0.0024   -0.0023
            Y    -0.0119    0.0087   -0.0038    0.0096   -0.0081    0.0076
            Z     0.0009   -0.0008    0.0006   -0.0007    0.0003   -0.0004
 AT.  56 O  X    -0.0035   -0.0029    0.0013   -0.0028   -0.0024   -0.0023
            Y     0.0119    0.0087   -0.0038    0.0096    0.0081    0.0076
            Z     0.0009    0.0008   -0.0006    0.0007    0.0003    0.0004
 AT.  57 O  X    -0.0035   -0.0029   -0.0013    0.0028    0.0024   -0.0023
            Y    -0.0119   -0.0087   -0.0038    0.0096    0.0081   -0.0076
            Z     0.0009    0.0008    0.0006   -0.0007   -0.0003    0.0004
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            Y     0.0119   -0.0087   -0.0038    0.0096   -0.0081   -0.0076
            Z     0.0009   -0.0008   -0.0006    0.0007   -0.0003   -0.0004
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            Y    -0.0119   -0.0087    0.0038    0.0096   -0.0081    0.0076
            Z     0.0009    0.0008   -0.0006   -0.0007    0.0003   -0.0004
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            Y     0.0091    0.0003   -0.0001    0.0053   -0.0109   -0.0110
            Z    -0.0153   -0.0030    0.0004   -0.0095    0.0171    0.0173
 AT.  67 O  X    -0.0056    0.0010    0.0000    0.0032   -0.0066    0.0067
            Y    -0.0091    0.0003    0.0001    0.0053   -0.0109    0.0110
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            Y     0.0091    0.0003    0.0001    0.0053    0.0109    0.0110
            Z    -0.0153   -0.0030   -0.0004   -0.0095   -0.0171   -0.0173
 AT.  69 O  X     0.0027   -0.0038   -0.0026   -0.0028    0.0016   -0.0017
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 AT.  73 O  X     0.0027    0.0038    0.0026   -0.0028    0.0016   -0.0017
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 AT.  85 O  X    -0.0003   -0.0058   -0.0050   -0.0031    0.0015   -0.0012
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 AT.  87 O  X     0.0003    0.0058   -0.0050    0.0031    0.0015   -0.0012
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 AT.  88 O  X    -0.0003    0.0058   -0.0050    0.0031   -0.0015   -0.0012
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 AT.  89 O  X    -0.0003    0.0058    0.0050   -0.0031    0.0015   -0.0012
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 AT.  90 O  X     0.0003    0.0058    0.0050   -0.0031   -0.0015   -0.0012
            Y    -0.0009   -0.0062   -0.0056    0.0035    0.0006    0.0004
            Z    -0.0004    0.0139    0.0117   -0.0088   -0.0020   -0.0016
 AT.  91 O  X     0.0003   -0.0058    0.0050    0.0031    0.0015   -0.0012
            Y     0.0009   -0.0062    0.0056    0.0035    0.0006   -0.0004
            Z    -0.0004   -0.0139    0.0117    0.0088    0.0020   -0.0016
 AT.  92 O  X    -0.0003   -0.0058    0.0050    0.0031   -0.0015   -0.0012
            Y    -0.0009   -0.0062    0.0056    0.0035   -0.0006   -0.0004
            Z    -0.0004    0.0139   -0.0117   -0.0088    0.0020    0.0016
 AT.  93 O  X     0.0009   -0.0033   -0.0055   -0.0044   -0.0032    0.0031
            Y     0.0012   -0.0092   -0.0136   -0.0105   -0.0070    0.0067
            Z     0.0000    0.0002    0.0005    0.0002   -0.0011    0.0011
 AT.  94 O  X    -0.0009   -0.0033   -0.0055   -0.0044    0.0032    0.0031
            Y    -0.0012   -0.0092   -0.0136   -0.0105    0.0070    0.0067
            Z     0.0000   -0.0002   -0.0005   -0.0002   -0.0011   -0.0011
 AT.  95 O  X    -0.0009    0.0033   -0.0055    0.0044   -0.0032    0.0031
            Y     0.0012   -0.0092    0.0136   -0.0105    0.0070   -0.0067
            Z     0.0000    0.0002   -0.0005    0.0002    0.0011   -0.0011
 AT.  96 O  X     0.0009    0.0033   -0.0055    0.0044    0.0032    0.0031
            Y    -0.0012   -0.0092    0.0136   -0.0105   -0.0070   -0.0067
            Z     0.0000   -0.0002    0.0005   -0.0002    0.0011    0.0011
 AT.  97 O  X     0.0009    0.0033    0.0055   -0.0044   -0.0032    0.0031
            Y     0.0012    0.0092    0.0136   -0.0105   -0.0070    0.0067
            Z     0.0000   -0.0002   -0.0005    0.0002   -0.0011    0.0011
 AT.  98 O  X    -0.0009    0.0033    0.0055   -0.0044    0.0032    0.0031
            Y    -0.0012    0.0092    0.0136   -0.0105    0.0070    0.0067
            Z     0.0000    0.0002    0.0005   -0.0002   -0.0011   -0.0011
 AT.  99 O  X    -0.0009   -0.0033    0.0055    0.0044   -0.0032    0.0031
            Y     0.0012    0.0092   -0.0136   -0.0105    0.0070   -0.0067
            Z     0.0000   -0.0002    0.0005    0.0002    0.0011   -0.0011
 AT. 100 O  X     0.0009   -0.0033    0.0055    0.0044    0.0032    0.0031
            Y    -0.0012    0.0092   -0.0136   -0.0105   -0.0070   -0.0067
            Z     0.0000    0.0002   -0.0005   -0.0002    0.0011    0.0011
 AT. 101 O  X     0.0001    0.0008    0.0004    0.0005    0.0003    0.0002
            Y     0.0016    0.0022   -0.0041    0.0014    0.0015    0.0011
            Z    -0.0017   -0.0016    0.0064   -0.0005   -0.0016   -0.0017
 AT. 102 O  X    -0.0001    0.0008    0.0004    0.0005   -0.0003    0.0002
            Y    -0.0016    0.0022   -0.0041    0.0014   -0.0015    0.0011
            Z    -0.0017    0.0016   -0.0064    0.0005   -0.0016    0.0017
 AT. 103 O  X    -0.0001   -0.0008    0.0004   -0.0005    0.0003    0.0002
            Y     0.0016    0.0022    0.0041    0.0014   -0.0015   -0.0011
            Z    -0.0017   -0.0016   -0.0064   -0.0005    0.0016    0.0017
 AT. 104 O  X     0.0001   -0.0008    0.0004   -0.0005   -0.0003    0.0002
            Y    -0.0016    0.0022    0.0041    0.0014    0.0015   -0.0011
            Z    -0.0017    0.0016    0.0064    0.0005    0.0016   -0.0017
 AT. 105 O  X     0.0001   -0.0008   -0.0004    0.0005    0.0003    0.0002
            Y     0.0016   -0.0022    0.0041    0.0014    0.0015    0.0011
            Z    -0.0017    0.0016   -0.0064   -0.0005   -0.0016   -0.0017
 AT. 106 O  X    -0.0001   -0.0008   -0.0004    0.0005   -0.0003    0.0002
            Y    -0.0016   -0.0022    0.0041    0.0014   -0.0015    0.0011
            Z    -0.0017   -0.0016    0.0064    0.0005   -0.0016    0.0017
 AT. 107 O  X    -0.0001    0.0008   -0.0004   -0.0005    0.0003    0.0002
            Y     0.0016   -0.0022   -0.0041    0.0014   -0.0015   -0.0011
            Z    -0.0017    0.0016    0.0064   -0.0005    0.0016    0.0017
 AT. 108 O  X     0.0001    0.0008   -0.0004   -0.0005   -0.0003    0.0002
            Y    -0.0016   -0.0022   -0.0041    0.0014    0.0015   -0.0011
            Z    -0.0017   -0.0016   -0.0064    0.0005    0.0016   -0.0017
 AT. 109 O  X    -0.0010    0.0138    0.0155    0.0122    0.0025   -0.0029
            Y     0.0003   -0.0004    0.0002    0.0001    0.0007   -0.0006
            Z    -0.0003    0.0011    0.0017    0.0011    0.0001   -0.0003
 AT. 110 O  X     0.0010    0.0138    0.0155    0.0122   -0.0025   -0.0029
            Y    -0.0003   -0.0004    0.0002    0.0001   -0.0007   -0.0006
            Z    -0.0003   -0.0011   -0.0017   -0.0011    0.0001    0.0003
 AT. 111 O  X     0.0010   -0.0138    0.0155   -0.0122    0.0025   -0.0029
            Y     0.0003   -0.0004   -0.0002    0.0001   -0.0007    0.0006
            Z    -0.0003    0.0011   -0.0017    0.0011   -0.0001    0.0003
 AT. 112 O  X    -0.0010   -0.0138    0.0155   -0.0122   -0.0025   -0.0029
            Y    -0.0003   -0.0004   -0.0002    0.0001    0.0007    0.0006
            Z    -0.0003   -0.0011    0.0017   -0.0011   -0.0001   -0.0003
 AT. 113 O  X    -0.0010   -0.0138   -0.0155    0.0122    0.0025   -0.0029
            Y     0.0003    0.0004   -0.0002    0.0001    0.0007   -0.0006
            Z    -0.0003   -0.0011   -0.0017    0.0011    0.0001   -0.0003
 AT. 114 O  X     0.0010   -0.0138   -0.0155    0.0122   -0.0025   -0.0029
            Y    -0.0003    0.0004   -0.0002    0.0001   -0.0007   -0.0006
            Z    -0.0003    0.0011    0.0017   -0.0011    0.0001    0.0003
 AT. 115 O  X     0.0010    0.0138   -0.0155   -0.0122    0.0025   -0.0029
            Y     0.0003    0.0004    0.0002    0.0001   -0.0007    0.0006
            Z    -0.0003   -0.0011    0.0017    0.0011   -0.0001    0.0003
 AT. 116 O  X    -0.0010    0.0138   -0.0155   -0.0122   -0.0025   -0.0029
            Y    -0.0003    0.0004    0.0002    0.0001    0.0007    0.0006
            Z    -0.0003    0.0011   -0.0017   -0.0011   -0.0001   -0.0003
 AT. 117 O  X    -0.0005   -0.0041   -0.0016   -0.0039   -0.0004    0.0002
            Y    -0.0005   -0.0025   -0.0029   -0.0021   -0.0014    0.0011
            Z     0.0000   -0.0044   -0.0016   -0.0037   -0.0003    0.0005
 AT. 118 O  X     0.0005   -0.0041   -0.0016   -0.0039    0.0004    0.0002
            Y     0.0005   -0.0025   -0.0029   -0.0021    0.0014    0.0011
            Z     0.0000    0.0044    0.0016    0.0037   -0.0003   -0.0005
 AT. 119 O  X     0.0005    0.0041   -0.0016    0.0039   -0.0004    0.0002
            Y    -0.0005   -0.0025    0.0029   -0.0021    0.0014   -0.0011
            Z     0.0000   -0.0044    0.0016   -0.0037    0.0003   -0.0005
 AT. 120 O  X    -0.0005    0.0041   -0.0016    0.0039    0.0004    0.0002
            Y     0.0005   -0.0025    0.0029   -0.0021   -0.0014   -0.0011
            Z     0.0000    0.0044   -0.0016    0.0037    0.0003    0.0005
 AT. 121 O  X    -0.0005    0.0041    0.0016   -0.0039   -0.0004    0.0002
            Y    -0.0005    0.0025    0.0029   -0.0021   -0.0014    0.0011
            Z     0.0000    0.0044    0.0016   -0.0037   -0.0003    0.0005
 AT. 122 O  X     0.0005    0.0041    0.0016   -0.0039    0.0004    0.0002
            Y     0.0005    0.0025    0.0029   -0.0021    0.0014    0.0011
            Z     0.0000   -0.0044   -0.0016    0.0037   -0.0003   -0.0005
 AT. 123 O  X     0.0005   -0.0041    0.0016    0.0039   -0.0004    0.0002
            Y    -0.0005    0.0025   -0.0029   -0.0021    0.0014   -0.0011
            Z     0.0000    0.0044   -0.0016   -0.0037    0.0003   -0.0005
 AT. 124 O  X    -0.0005   -0.0041    0.0016    0.0039    0.0004    0.0002
            Y     0.0005    0.0025   -0.0029   -0.0021   -0.0014   -0.0011
            Z     0.0000   -0.0044    0.0016    0.0037    0.0003    0.0005

 FREQ(CM**-1)    884.97    886.52    886.55    894.05    894.19    894.20

 AT.   1 SI X     0.0009    0.0022   -0.0012   -0.0010   -0.0007   -0.0008
            Y     0.0074    0.0017   -0.0087   -0.0005   -0.0007   -0.0008
            Z     0.0118   -0.0106   -0.0117    0.0016    0.0013    0.0003
 AT.   2 SI X     0.0009   -0.0022    0.0012   -0.0010    0.0007   -0.0008
            Y     0.0074   -0.0017    0.0087   -0.0005    0.0007   -0.0008
            Z    -0.0118   -0.0106   -0.0117   -0.0016    0.0013   -0.0003
 AT.   3 SI X    -0.0009   -0.0022    0.0012   -0.0010   -0.0007    0.0008
            Y     0.0074    0.0017   -0.0087    0.0005    0.0007   -0.0008
            Z     0.0118   -0.0106   -0.0117   -0.0016   -0.0013    0.0003
 AT.   4 SI X    -0.0009    0.0022   -0.0012   -0.0010    0.0007    0.0008
            Y     0.0074   -0.0017    0.0087    0.0005   -0.0007   -0.0008
            Z    -0.0118   -0.0106   -0.0117    0.0016   -0.0013   -0.0003
 AT.   5 SI X    -0.0009    0.0022    0.0012   -0.0010    0.0007   -0.0008
            Y    -0.0074    0.0017    0.0087   -0.0005    0.0007   -0.0008
            Z    -0.0118   -0.0106    0.0117    0.0016   -0.0013    0.0003
 AT.   6 SI X    -0.0009   -0.0022   -0.0012   -0.0010   -0.0007   -0.0008
            Y    -0.0074   -0.0017   -0.0087   -0.0005   -0.0007   -0.0008
            Z     0.0118   -0.0106    0.0117   -0.0016   -0.0013   -0.0003
 AT.   7 SI X     0.0009   -0.0022   -0.0012   -0.0010    0.0007    0.0008
            Y    -0.0074    0.0017    0.0087    0.0005   -0.0007   -0.0008
            Z    -0.0118   -0.0106    0.0117   -0.0016    0.0013    0.0003
 AT.   8 SI X     0.0009    0.0022    0.0012   -0.0010   -0.0007    0.0008
            Y    -0.0074   -0.0017   -0.0087    0.0005    0.0007   -0.0008
            Z     0.0118   -0.0106    0.0117    0.0016    0.0013   -0.0003
 AT.   9 SI X     0.0009    0.0030   -0.0013    0.0023   -0.0009   -0.0012
            Y    -0.0048   -0.0023    0.0065    0.0035    0.0068    0.0071
            Z    -0.0042    0.0026    0.0019    0.0026   -0.0031   -0.0029
 AT.  10 SI X     0.0009   -0.0030    0.0013    0.0023    0.0009   -0.0012
            Y    -0.0048    0.0023   -0.0065    0.0035   -0.0068    0.0071
            Z     0.0042    0.0026    0.0019   -0.0026   -0.0031    0.0029
 AT.  11 SI X    -0.0009   -0.0030    0.0013    0.0023   -0.0009    0.0012
            Y    -0.0048   -0.0023    0.0065   -0.0035   -0.0068    0.0071
            Z    -0.0042    0.0026    0.0019   -0.0026    0.0031   -0.0029
 AT.  12 SI X    -0.0009    0.0030   -0.0013    0.0023    0.0009    0.0012
            Y    -0.0048    0.0023   -0.0065   -0.0035    0.0068    0.0071
            Z     0.0042    0.0026    0.0019    0.0026    0.0031    0.0029
 AT.  13 SI X    -0.0009    0.0030    0.0013    0.0023    0.0009   -0.0012
            Y     0.0048   -0.0023   -0.0065    0.0035   -0.0068    0.0071
            Z     0.0042    0.0026   -0.0019    0.0026    0.0031   -0.0029
 AT.  14 SI X    -0.0009   -0.0030   -0.0013    0.0023   -0.0009   -0.0012
            Y     0.0048    0.0023    0.0065    0.0035    0.0068    0.0071
            Z    -0.0042    0.0026   -0.0019   -0.0026    0.0031    0.0029
 AT.  15 SI X     0.0009   -0.0030   -0.0013    0.0023    0.0009    0.0012
            Y     0.0048   -0.0023   -0.0065   -0.0035    0.0068    0.0071
            Z     0.0042    0.0026   -0.0019   -0.0026   -0.0031   -0.0029
 AT.  16 SI X     0.0009    0.0030    0.0013    0.0023   -0.0009    0.0012
            Y     0.0048    0.0023    0.0065   -0.0035   -0.0068    0.0071
            Z    -0.0042    0.0026   -0.0019    0.0026   -0.0031    0.0029
 AT.  17 SI X     0.0000    0.0053    0.0012    0.0096    0.0000    0.0000
            Y     0.0012    0.0000    0.0000    0.0000    0.0072    0.0071
            Z     0.0000   -0.0075   -0.0007   -0.0102    0.0000    0.0000
 AT.  18 SI X     0.0000   -0.0053   -0.0012    0.0096    0.0000    0.0000
            Y     0.0012    0.0000    0.0000    0.0000   -0.0072    0.0071
            Z     0.0000   -0.0075   -0.0007    0.0102    0.0000    0.0000
 AT.  19 SI X     0.0000    0.0053   -0.0012    0.0096    0.0000    0.0000
            Y    -0.0012    0.0000    0.0000    0.0000   -0.0072    0.0071
            Z     0.0000   -0.0075    0.0007   -0.0102    0.0000    0.0000
 AT.  20 SI X     0.0000   -0.0053    0.0012    0.0096    0.0000    0.0000
            Y    -0.0012    0.0000    0.0000    0.0000    0.0072    0.0071
            Z     0.0000   -0.0075    0.0007    0.0102    0.0000    0.0000
 AT.  21 CA X     0.0001    0.0001   -0.0001    0.0001    0.0000    0.0000
            Y    -0.0004    0.0000    0.0006    0.0002    0.0001    0.0001
            Z    -0.0002   -0.0004    0.0003    0.0002    0.0002    0.0001
 AT.  22 CA X     0.0001   -0.0001    0.0001    0.0001    0.0000    0.0000
            Y    -0.0004    0.0000   -0.0006    0.0002   -0.0001    0.0001
            Z     0.0002   -0.0004    0.0003   -0.0002    0.0002   -0.0001
 AT.  23 CA X    -0.0001   -0.0001    0.0001    0.0001    0.0000    0.0000
            Y    -0.0004    0.0000    0.0006   -0.0002   -0.0001    0.0001
            Z    -0.0002   -0.0004    0.0003   -0.0002   -0.0002    0.0001
 AT.  24 CA X    -0.0001    0.0001   -0.0001    0.0001    0.0000    0.0000
            Y    -0.0004    0.0000   -0.0006   -0.0002    0.0001    0.0001
            Z     0.0002   -0.0004    0.0003    0.0002   -0.0002   -0.0001
 AT.  25 CA X    -0.0001    0.0001    0.0001    0.0001    0.0000    0.0000
            Y     0.0004    0.0000   -0.0006    0.0002   -0.0001    0.0001
            Z     0.0002   -0.0004   -0.0003    0.0002   -0.0002    0.0001
 AT.  26 CA X    -0.0001   -0.0001   -0.0001    0.0001    0.0000    0.0000
            Y     0.0004    0.0000    0.0006    0.0002    0.0001    0.0001
            Z    -0.0002   -0.0004   -0.0003   -0.0002   -0.0002   -0.0001
 AT.  27 CA X     0.0001   -0.0001   -0.0001    0.0001    0.0000    0.0000
            Y     0.0004    0.0000   -0.0006   -0.0002    0.0001    0.0001
            Z     0.0002   -0.0004   -0.0003   -0.0002    0.0002    0.0001
 AT.  28 CA X     0.0001    0.0001    0.0001    0.0001    0.0000    0.0000
            Y     0.0004    0.0000    0.0006   -0.0002   -0.0001    0.0001
            Z    -0.0002   -0.0004   -0.0003    0.0002    0.0002   -0.0001
 AT.  29 CA X     0.0000    0.0001    0.0000    0.0000    0.0000    0.0001
            Y     0.0000    0.0004    0.0000    0.0000    0.0000    0.0000
            Z     0.0000   -0.0007    0.0000    0.0002    0.0000    0.0001
 AT.  30 CA X     0.0000   -0.0001    0.0000    0.0000    0.0000    0.0001
            Y     0.0000   -0.0004    0.0000    0.0000    0.0000    0.0000
            Z     0.0000   -0.0007    0.0000   -0.0002    0.0000   -0.0001
 AT.  31 CA X     0.0000   -0.0001    0.0000    0.0000    0.0000   -0.0001
            Y     0.0000    0.0004    0.0000    0.0000    0.0000    0.0000
            Z     0.0000   -0.0007    0.0000   -0.0002    0.0000    0.0001
 AT.  32 CA X     0.0000    0.0001    0.0000    0.0000    0.0000   -0.0001
            Y     0.0000   -0.0004    0.0000    0.0000    0.0000    0.0000
            Z     0.0000   -0.0007    0.0000    0.0002    0.0000   -0.0001
 AT.  33 CA X     0.0000   -0.0004   -0.0001   -0.0002   -0.0001   -0.0001
            Y     0.0004   -0.0003   -0.0005   -0.0002   -0.0001   -0.0001
            Z     0.0003    0.0006   -0.0002    0.0005    0.0001    0.0001
 AT.  34 CA X     0.0000    0.0004    0.0001   -0.0002    0.0001   -0.0001
            Y     0.0004    0.0003    0.0005   -0.0002    0.0001   -0.0001
            Z    -0.0003    0.0006   -0.0002   -0.0005    0.0001   -0.0001
 AT.  35 CA X     0.0000    0.0004    0.0001   -0.0002   -0.0001    0.0001
            Y     0.0004   -0.0003   -0.0005    0.0002    0.0001   -0.0001
            Z     0.0003    0.0006   -0.0002   -0.0005   -0.0001    0.0001
 AT.  36 CA X     0.0000   -0.0004   -0.0001   -0.0002    0.0001    0.0001
            Y     0.0004    0.0003    0.0005    0.0002   -0.0001   -0.0001
            Z    -0.0003    0.0006   -0.0002    0.0005   -0.0001   -0.0001
 AT.  37 CA X     0.0000   -0.0004    0.0001   -0.0002    0.0001   -0.0001
            Y    -0.0004   -0.0003    0.0005   -0.0002    0.0001   -0.0001
            Z    -0.0003    0.0006    0.0002    0.0005   -0.0001    0.0001
 AT.  38 CA X     0.0000    0.0004   -0.0001   -0.0002   -0.0001   -0.0001
            Y    -0.0004    0.0003   -0.0005   -0.0002   -0.0001   -0.0001
            Z     0.0003    0.0006    0.0002   -0.0005   -0.0001   -0.0001
 AT.  39 CA X     0.0000    0.0004   -0.0001   -0.0002    0.0001    0.0001
            Y    -0.0004   -0.0003    0.0005    0.0002   -0.0001   -0.0001
            Z    -0.0003    0.0006    0.0002   -0.0005    0.0001    0.0001
 AT.  40 CA X     0.0000   -0.0004    0.0001   -0.0002   -0.0001    0.0001
            Y    -0.0004    0.0003   -0.0005    0.0002    0.0001   -0.0001
            Z     0.0003    0.0006    0.0002    0.0005    0.0001   -0.0001
 AT.  41 CA X    -0.0001    0.0004    0.0001   -0.0001    0.0004    0.0004
            Y    -0.0001    0.0001   -0.0002   -0.0010    0.0000    0.0000
            Z     0.0002    0.0005    0.0000   -0.0002   -0.0009   -0.0009
 AT.  42 CA X    -0.0001   -0.0004   -0.0001   -0.0001   -0.0004    0.0004
            Y    -0.0001   -0.0001    0.0002   -0.0010    0.0000    0.0000
            Z    -0.0002    0.0005    0.0000    0.0002   -0.0009    0.0009
 AT.  43 CA X     0.0001   -0.0004   -0.0001   -0.0001    0.0004   -0.0004
            Y    -0.0001    0.0001   -0.0002    0.0010    0.0000    0.0000
            Z     0.0002    0.0005    0.0000    0.0002    0.0009   -0.0009
 AT.  44 CA X     0.0001    0.0004    0.0001   -0.0001   -0.0004   -0.0004
            Y    -0.0001   -0.0001    0.0002    0.0010    0.0000    0.0000
            Z    -0.0002    0.0005    0.0000   -0.0002    0.0009    0.0009
 AT.  45 CA X     0.0001    0.0004   -0.0001   -0.0001   -0.0004    0.0004
            Y     0.0001    0.0001    0.0002   -0.0010    0.0000    0.0000
            Z    -0.0002    0.0005    0.0000   -0.0002    0.0009   -0.0009
 AT.  46 CA X     0.0001   -0.0004    0.0001   -0.0001    0.0004    0.0004
            Y     0.0001   -0.0001   -0.0002   -0.0010    0.0000    0.0000
            Z     0.0002    0.0005    0.0000    0.0002    0.0009    0.0009
 AT.  47 CA X    -0.0001   -0.0004    0.0001   -0.0001   -0.0004   -0.0004
            Y     0.0001    0.0001    0.0002    0.0010    0.0000    0.0000
            Z    -0.0002    0.0005    0.0000    0.0002   -0.0009   -0.0009
 AT.  48 CA X    -0.0001    0.0004   -0.0001   -0.0001    0.0004   -0.0004
            Y     0.0001   -0.0001   -0.0002    0.0010    0.0000    0.0000
            Z     0.0002    0.0005    0.0000   -0.0002   -0.0009    0.0009
 AT.  49 CA X     0.0000   -0.0004   -0.0001   -0.0005    0.0000    0.0000
            Y     0.0004    0.0000    0.0000    0.0000   -0.0005   -0.0005
            Z     0.0000   -0.0002   -0.0005   -0.0009    0.0000    0.0000
 AT.  50 CA X     0.0000    0.0004    0.0001   -0.0005    0.0000    0.0000
            Y     0.0004    0.0000    0.0000    0.0000    0.0005   -0.0005
            Z     0.0000   -0.0002   -0.0005    0.0009    0.0000    0.0000
 AT.  51 CA X     0.0000   -0.0004    0.0001   -0.0005    0.0000    0.0000
            Y    -0.0004    0.0000    0.0000    0.0000    0.0005   -0.0005
            Z     0.0000   -0.0002    0.0005   -0.0009    0.0000    0.0000
 AT.  52 CA X     0.0000    0.0004   -0.0001   -0.0005    0.0000    0.0000
            Y    -0.0004    0.0000    0.0000    0.0000   -0.0005   -0.0005
            Z     0.0000   -0.0002    0.0005    0.0009    0.0000    0.0000
 AT.  53 O  X    -0.0018   -0.0008    0.0022    0.0002    0.0002    0.0002
            Y    -0.0058   -0.0032    0.0070    0.0004    0.0005    0.0006
            Z    -0.0011    0.0010    0.0009   -0.0005   -0.0004   -0.0003
 AT.  54 O  X    -0.0018    0.0008   -0.0022    0.0002   -0.0002    0.0002
            Y    -0.0058    0.0032   -0.0070    0.0004   -0.0005    0.0006
            Z     0.0011    0.0010    0.0009    0.0005   -0.0004    0.0003
 AT.  55 O  X     0.0018    0.0008   -0.0022    0.0002    0.0002   -0.0002
            Y    -0.0058   -0.0032    0.0070   -0.0004   -0.0005    0.0006
            Z    -0.0011    0.0010    0.0009    0.0005    0.0004   -0.0003
 AT.  56 O  X     0.0018   -0.0008    0.0022    0.0002   -0.0002   -0.0002
            Y    -0.0058    0.0032   -0.0070   -0.0004    0.0005    0.0006
            Z     0.0011    0.0010    0.0009   -0.0005    0.0004    0.0003
 AT.  57 O  X     0.0018   -0.0008   -0.0022    0.0002   -0.0002    0.0002
            Y     0.0058   -0.0032   -0.0070    0.0004   -0.0005    0.0006
            Z     0.0011    0.0010   -0.0009   -0.0005    0.0004   -0.0003
 AT.  58 O  X     0.0018    0.0008    0.0022    0.0002    0.0002    0.0002
            Y     0.0058    0.0032    0.0070    0.0004    0.0005    0.0006
            Z    -0.0011    0.0010   -0.0009    0.0005    0.0004    0.0003
 AT.  59 O  X    -0.0018    0.0008    0.0022    0.0002   -0.0002   -0.0002
            Y     0.0058   -0.0032   -0.0070   -0.0004    0.0005    0.0006
            Z     0.0011    0.0010   -0.0009    0.0005   -0.0004   -0.0003
 AT.  60 O  X    -0.0018   -0.0008   -0.0022    0.0002    0.0002   -0.0002
            Y     0.0058    0.0032    0.0070   -0.0004   -0.0005    0.0006
            Z    -0.0011    0.0010   -0.0009   -0.0005   -0.0004    0.0003
 AT.  61 O  X     0.0058   -0.0033   -0.0060    0.0003    0.0002   -0.0001
            Y    -0.0094    0.0050    0.0101   -0.0001    0.0000    0.0005
            Z    -0.0146    0.0082    0.0149   -0.0010   -0.0006    0.0004
 AT.  62 O  X     0.0058    0.0033    0.0060    0.0003   -0.0002   -0.0001
            Y    -0.0094   -0.0050   -0.0101   -0.0001    0.0000    0.0005
            Z     0.0146    0.0082    0.0149    0.0010   -0.0006   -0.0004
 AT.  63 O  X    -0.0058    0.0033    0.0060    0.0003    0.0002    0.0001
            Y    -0.0094    0.0050    0.0101    0.0001    0.0000    0.0005
            Z    -0.0146    0.0082    0.0149    0.0010    0.0006    0.0004
 AT.  64 O  X    -0.0058   -0.0033   -0.0060    0.0003   -0.0002    0.0001
            Y    -0.0094   -0.0050   -0.0101    0.0001    0.0000    0.0005
            Z     0.0146    0.0082    0.0149   -0.0010    0.0006   -0.0004
 AT.  65 O  X    -0.0058   -0.0033    0.0060    0.0003   -0.0002   -0.0001
            Y     0.0094    0.0050   -0.0101   -0.0001    0.0000    0.0005
            Z     0.0146    0.0082   -0.0149   -0.0010    0.0006    0.0004
 AT.  66 O  X    -0.0058    0.0033   -0.0060    0.0003    0.0002   -0.0001
            Y     0.0094   -0.0050    0.0101   -0.0001    0.0000    0.0005
            Z    -0.0146    0.0082   -0.0149    0.0010    0.0006   -0.0004
 AT.  67 O  X     0.0058    0.0033   -0.0060    0.0003   -0.0002    0.0001
            Y     0.0094    0.0050   -0.0101    0.0001    0.0000    0.0005
            Z     0.0146    0.0082   -0.0149    0.0010   -0.0006    0.0004
 AT.  68 O  X     0.0058   -0.0033    0.0060    0.0003    0.0002    0.0001
            Y     0.0094   -0.0050    0.0101    0.0001    0.0000    0.0005
            Z    -0.0146    0.0082   -0.0149   -0.0010   -0.0006   -0.0004
 AT.  69 O  X    -0.0020    0.0033    0.0017   -0.0005   -0.0005   -0.0002
            Y     0.0011   -0.0045   -0.0005    0.0008    0.0008    0.0003
            Z    -0.0062    0.0102    0.0057   -0.0014   -0.0013   -0.0007
 AT.  70 O  X    -0.0020   -0.0033   -0.0017   -0.0005    0.0005   -0.0002
            Y     0.0011    0.0045    0.0005    0.0008   -0.0008    0.0003
            Z     0.0062    0.0102    0.0057    0.0014   -0.0013    0.0007
 AT.  71 O  X     0.0020   -0.0033   -0.0017   -0.0005   -0.0005    0.0002
            Y     0.0011   -0.0045   -0.0005   -0.0008   -0.0008    0.0003
            Z    -0.0062    0.0102    0.0057    0.0014    0.0013   -0.0007
 AT.  72 O  X     0.0020    0.0033    0.0017   -0.0005    0.0005    0.0002
            Y     0.0011    0.0045    0.0005   -0.0008    0.0008    0.0003
            Z     0.0062    0.0102    0.0057   -0.0014    0.0013    0.0007
 AT.  73 O  X     0.0020    0.0033   -0.0017   -0.0005    0.0005   -0.0002
            Y    -0.0011   -0.0045    0.0005    0.0008   -0.0008    0.0003
            Z     0.0062    0.0102   -0.0057   -0.0014    0.0013   -0.0007
 AT.  74 O  X     0.0020   -0.0033    0.0017   -0.0005   -0.0005   -0.0002
            Y    -0.0011    0.0045   -0.0005    0.0008    0.0008    0.0003
            Z    -0.0062    0.0102   -0.0057    0.0014    0.0013    0.0007
 AT.  75 O  X    -0.0020   -0.0033    0.0017   -0.0005    0.0005    0.0002
            Y    -0.0011   -0.0045    0.0005   -0.0008    0.0008    0.0003
            Z     0.0062    0.0102   -0.0057    0.0014   -0.0013   -0.0007
 AT.  76 O  X    -0.0020    0.0033   -0.0017   -0.0005   -0.0005    0.0002
            Y    -0.0011    0.0045   -0.0005   -0.0008   -0.0008    0.0003
            Z    -0.0062    0.0102   -0.0057   -0.0014   -0.0013    0.0007
 AT.  77 O  X    -0.0033   -0.0028    0.0040    0.0017    0.0013    0.0015
            Y    -0.0015    0.0000    0.0018    0.0001    0.0002    0.0001
            Z    -0.0016    0.0014    0.0015   -0.0005   -0.0003   -0.0002
 AT.  78 O  X    -0.0033    0.0028   -0.0040    0.0017   -0.0013    0.0015
            Y    -0.0015    0.0000   -0.0018    0.0001   -0.0002    0.0001
            Z     0.0016    0.0014    0.0015    0.0005   -0.0003    0.0002
 AT.  79 O  X     0.0033    0.0028   -0.0040    0.0017    0.0013   -0.0015
            Y    -0.0015    0.0000    0.0018   -0.0001   -0.0002    0.0001
            Z    -0.0016    0.0014    0.0015    0.0005    0.0003   -0.0002
 AT.  80 O  X     0.0033   -0.0028    0.0040    0.0017   -0.0013   -0.0015
            Y    -0.0015    0.0000   -0.0018   -0.0001    0.0002    0.0001
            Z     0.0016    0.0014    0.0015   -0.0005    0.0003    0.0002
 AT.  81 O  X     0.0033   -0.0028   -0.0040    0.0017   -0.0013    0.0015
            Y     0.0015    0.0000   -0.0018    0.0001   -0.0002    0.0001
            Z     0.0016    0.0014   -0.0015   -0.0005    0.0003   -0.0002
 AT.  82 O  X     0.0033    0.0028    0.0040    0.0017    0.0013    0.0015
            Y     0.0015    0.0000    0.0018    0.0001    0.0002    0.0001
            Z    -0.0016    0.0014   -0.0015    0.0005    0.0003    0.0002
 AT.  83 O  X    -0.0033    0.0028    0.0040    0.0017   -0.0013   -0.0015
            Y     0.0015    0.0000   -0.0018   -0.0001    0.0002    0.0001
            Z     0.0016    0.0014   -0.0015    0.0005   -0.0003   -0.0002
 AT.  84 O  X    -0.0033   -0.0028   -0.0040    0.0017    0.0013   -0.0015
            Y     0.0015    0.0000    0.0018   -0.0001   -0.0002    0.0001
            Z    -0.0016    0.0014   -0.0015   -0.0005   -0.0003    0.0002
 AT.  85 O  X    -0.0021    0.0026    0.0023    0.0041    0.0015    0.0016
            Y     0.0014   -0.0034   -0.0022   -0.0056   -0.0025   -0.0027
            Z     0.0025   -0.0081   -0.0039   -0.0117   -0.0051   -0.0053
 AT.  86 O  X    -0.0021   -0.0026   -0.0023    0.0041   -0.0015    0.0016
            Y     0.0014    0.0034    0.0022   -0.0056    0.0025   -0.0027
            Z    -0.0025   -0.0081   -0.0039    0.0117   -0.0051    0.0053
 AT.  87 O  X     0.0021   -0.0026   -0.0023    0.0041    0.0015   -0.0016
            Y     0.0014   -0.0034   -0.0022    0.0056    0.0025   -0.0027
            Z     0.0025   -0.0081   -0.0039    0.0117    0.0051   -0.0053
 AT.  88 O  X     0.0021    0.0026    0.0023    0.0041   -0.0015   -0.0016
            Y     0.0014    0.0034    0.0022    0.0056   -0.0025   -0.0027
            Z    -0.0025   -0.0081   -0.0039   -0.0117    0.0051    0.0053
 AT.  89 O  X     0.0021    0.0026   -0.0023    0.0041   -0.0015    0.0016
            Y    -0.0014   -0.0034    0.0022   -0.0056    0.0025   -0.0027
            Z    -0.0025   -0.0081    0.0039   -0.0117    0.0051   -0.0053
 AT.  90 O  X     0.0021   -0.0026    0.0023    0.0041    0.0015    0.0016
            Y    -0.0014    0.0034   -0.0022   -0.0056   -0.0025   -0.0027
            Z     0.0025   -0.0081    0.0039    0.0117    0.0051    0.0053
 AT.  91 O  X    -0.0021   -0.0026    0.0023    0.0041   -0.0015   -0.0016
            Y    -0.0014   -0.0034    0.0022    0.0056   -0.0025   -0.0027
            Z    -0.0025   -0.0081    0.0039    0.0117   -0.0051   -0.0053
 AT.  92 O  X    -0.0021    0.0026   -0.0023    0.0041    0.0015   -0.0016
            Y    -0.0014    0.0034   -0.0022    0.0056    0.0025   -0.0027
            Z     0.0025   -0.0081    0.0039   -0.0117   -0.0051    0.0053
 AT.  93 O  X     0.0038    0.0032   -0.0037    0.0009   -0.0013   -0.0015
            Y     0.0094    0.0104   -0.0079    0.0052   -0.0011   -0.0014
            Z     0.0010   -0.0008   -0.0011   -0.0009   -0.0004   -0.0005
 AT.  94 O  X     0.0038   -0.0032    0.0037    0.0009    0.0013   -0.0015
            Y     0.0094   -0.0104    0.0079    0.0052    0.0011   -0.0014
            Z    -0.0010   -0.0008   -0.0011    0.0009   -0.0004    0.0005
 AT.  95 O  X    -0.0038   -0.0032    0.0037    0.0009   -0.0013    0.0015
            Y     0.0094    0.0104   -0.0079   -0.0052    0.0011   -0.0014
            Z     0.0010   -0.0008   -0.0011    0.0009    0.0004   -0.0005
 AT.  96 O  X    -0.0038    0.0032   -0.0037    0.0009    0.0013    0.0015
            Y     0.0094   -0.0104    0.0079   -0.0052   -0.0011   -0.0014
            Z    -0.0010   -0.0008   -0.0011   -0.0009    0.0004    0.0005
 AT.  97 O  X    -0.0038    0.0032    0.0037    0.0009    0.0013   -0.0015
            Y    -0.0094    0.0104    0.0079    0.0052    0.0011   -0.0014
            Z    -0.0010   -0.0008    0.0011   -0.0009    0.0004   -0.0005
 AT.  98 O  X    -0.0038   -0.0032   -0.0037    0.0009   -0.0013   -0.0015
            Y    -0.0094   -0.0104   -0.0079    0.0052   -0.0011   -0.0014
            Z     0.0010   -0.0008    0.0011    0.0009    0.0004    0.0005
 AT.  99 O  X     0.0038   -0.0032   -0.0037    0.0009    0.0013    0.0015
            Y    -0.0094    0.0104    0.0079   -0.0052   -0.0011   -0.0014
            Z    -0.0010   -0.0008    0.0011    0.0009   -0.0004   -0.0005
 AT. 100 O  X     0.0038    0.0032    0.0037    0.0009   -0.0013    0.0015
            Y    -0.0094   -0.0104   -0.0079   -0.0052    0.0011   -0.0014
            Z     0.0010   -0.0008    0.0011   -0.0009   -0.0004    0.0005
 AT. 101 O  X    -0.0018   -0.0043   -0.0006   -0.0063   -0.0067   -0.0067
            Y    -0.0053   -0.0080   -0.0026   -0.0144   -0.0177   -0.0177
            Z     0.0061    0.0082    0.0033    0.0160    0.0206    0.0205
 AT. 102 O  X    -0.0018    0.0043    0.0006   -0.0063    0.0067   -0.0067
            Y    -0.0053    0.0080    0.0026   -0.0144    0.0177   -0.0177
            Z    -0.0061    0.0082    0.0033   -0.0160    0.0206   -0.0205
 AT. 103 O  X     0.0018    0.0043    0.0006   -0.0063   -0.0067    0.0067
            Y    -0.0053   -0.0080   -0.0026    0.0144    0.0177   -0.0177
            Z     0.0061    0.0082    0.0033   -0.0160   -0.0206    0.0205
 AT. 104 O  X     0.0018   -0.0043   -0.0006   -0.0063    0.0067    0.0067
            Y    -0.0053    0.0080    0.0026    0.0144   -0.0177   -0.0177
            Z    -0.0061    0.0082    0.0033    0.0160   -0.0206   -0.0205
 AT. 105 O  X     0.0018   -0.0043    0.0006   -0.0063    0.0067   -0.0067
            Y     0.0053   -0.0080    0.0026   -0.0144    0.0177   -0.0177
            Z    -0.0061    0.0082   -0.0033    0.0160   -0.0206    0.0205
 AT. 106 O  X     0.0018    0.0043   -0.0006   -0.0063   -0.0067   -0.0067
            Y     0.0053    0.0080   -0.0026   -0.0144   -0.0177   -0.0177
            Z     0.0061    0.0082   -0.0033   -0.0160   -0.0206   -0.0205
 AT. 107 O  X    -0.0018    0.0043   -0.0006   -0.0063    0.0067    0.0067
            Y     0.0053   -0.0080    0.0026    0.0144   -0.0177   -0.0177
            Z    -0.0061    0.0082   -0.0033   -0.0160    0.0206    0.0205
 AT. 108 O  X    -0.0018   -0.0043    0.0006   -0.0063   -0.0067    0.0067
            Y     0.0053    0.0080   -0.0026    0.0144    0.0177   -0.0177
            Z     0.0061    0.0082   -0.0033    0.0160    0.0206   -0.0205
 AT. 109 O  X    -0.0039   -0.0110    0.0030   -0.0099   -0.0008   -0.0004
            Y    -0.0006   -0.0002    0.0002   -0.0006   -0.0009   -0.0009
            Z     0.0002   -0.0010    0.0003   -0.0002    0.0011    0.0011
 AT. 110 O  X    -0.0039    0.0110   -0.0030   -0.0099    0.0008   -0.0004
            Y    -0.0006    0.0002   -0.0002   -0.0006    0.0009   -0.0009
            Z    -0.0002   -0.0010    0.0003    0.0002    0.0011   -0.0011
 AT. 111 O  X     0.0039    0.0110   -0.0030   -0.0099   -0.0008    0.0004
            Y    -0.0006   -0.0002    0.0002    0.0006    0.0009   -0.0009
            Z     0.0002   -0.0010    0.0003    0.0002   -0.0011    0.0011
 AT. 112 O  X     0.0039   -0.0110    0.0030   -0.0099    0.0008    0.0004
            Y    -0.0006    0.0002   -0.0002    0.0006   -0.0009   -0.0009
            Z    -0.0002   -0.0010    0.0003   -0.0002   -0.0011   -0.0011
 AT. 113 O  X     0.0039   -0.0110   -0.0030   -0.0099    0.0008   -0.0004
            Y     0.0006   -0.0002   -0.0002   -0.0006    0.0009   -0.0009
            Z    -0.0002   -0.0010   -0.0003   -0.0002   -0.0011    0.0011
 AT. 114 O  X     0.0039    0.0110    0.0030   -0.0099   -0.0008   -0.0004
            Y     0.0006    0.0002    0.0002   -0.0006   -0.0009   -0.0009
            Z     0.0002   -0.0010   -0.0003    0.0002   -0.0011   -0.0011
 AT. 115 O  X    -0.0039    0.0110    0.0030   -0.0099    0.0008    0.0004
            Y     0.0006   -0.0002   -0.0002    0.0006   -0.0009   -0.0009
            Z    -0.0002   -0.0010   -0.0003    0.0002    0.0011    0.0011
 AT. 116 O  X    -0.0039   -0.0110   -0.0030   -0.0099   -0.0008    0.0004
            Y     0.0006    0.0002    0.0002    0.0006    0.0009   -0.0009
            Z     0.0002   -0.0010   -0.0003   -0.0002    0.0011   -0.0011
 AT. 117 O  X     0.0017    0.0007    0.0002   -0.0001    0.0044    0.0044
            Y     0.0024    0.0008   -0.0008   -0.0008    0.0045    0.0046
            Z     0.0020    0.0006   -0.0004   -0.0001    0.0056    0.0056
 AT. 118 O  X     0.0017   -0.0007   -0.0002   -0.0001   -0.0044    0.0044
            Y     0.0024   -0.0008    0.0008   -0.0008   -0.0045    0.0046
            Z    -0.0020    0.0006   -0.0004    0.0001    0.0056   -0.0056
 AT. 119 O  X    -0.0017   -0.0007   -0.0002   -0.0001    0.0044   -0.0044
            Y     0.0024    0.0008   -0.0008    0.0008   -0.0045    0.0046
            Z     0.0020    0.0006   -0.0004    0.0001   -0.0056    0.0056
 AT. 120 O  X    -0.0017    0.0007    0.0002   -0.0001   -0.0044   -0.0044
            Y     0.0024   -0.0008    0.0008    0.0008    0.0045    0.0046
            Z    -0.0020    0.0006   -0.0004   -0.0001   -0.0056   -0.0056
 AT. 121 O  X    -0.0017    0.0007   -0.0002   -0.0001   -0.0044    0.0044
            Y    -0.0024    0.0008    0.0008   -0.0008   -0.0045    0.0046
            Z    -0.0020    0.0006    0.0004   -0.0001   -0.0056    0.0056
 AT. 122 O  X    -0.0017   -0.0007    0.0002   -0.0001    0.0044    0.0044
            Y    -0.0024   -0.0008   -0.0008   -0.0008    0.0045    0.0046
            Z     0.0020    0.0006    0.0004    0.0001   -0.0056   -0.0056
 AT. 123 O  X     0.0017   -0.0007    0.0002   -0.0001   -0.0044   -0.0044
            Y    -0.0024    0.0008    0.0008    0.0008    0.0045    0.0046
            Z    -0.0020    0.0006    0.0004    0.0001    0.0056    0.0056
 AT. 124 O  X     0.0017    0.0007   -0.0002   -0.0001    0.0044   -0.0044
            Y    -0.0024   -0.0008   -0.0008    0.0008   -0.0045    0.0046
            Z     0.0020    0.0006    0.0004   -0.0001    0.0056   -0.0056

 FREQ(CM**-1)    894.22    896.00    900.16    905.56    907.17    907.91

 AT.   1 SI X    -0.0010    0.0006   -0.0014   -0.0025   -0.0009    0.0020
            Y     0.0009    0.0050   -0.0014   -0.0019   -0.0049    0.0014
            Z     0.0023   -0.0075   -0.0074   -0.0145   -0.0036    0.0125
 AT.   2 SI X     0.0010   -0.0006   -0.0014    0.0025   -0.0009    0.0020
            Y    -0.0009   -0.0050   -0.0014    0.0019   -0.0049    0.0014
            Z     0.0023   -0.0075    0.0074   -0.0145    0.0036   -0.0125
 AT.   3 SI X     0.0010    0.0006   -0.0014   -0.0025    0.0009    0.0020
            Y     0.0009   -0.0050    0.0014    0.0019   -0.0049   -0.0014
            Z     0.0023    0.0075    0.0074    0.0145   -0.0036   -0.0125
 AT.   4 SI X    -0.0010   -0.0006   -0.0014    0.0025    0.0009    0.0020
            Y    -0.0009    0.0050    0.0014   -0.0019   -0.0049   -0.0014
            Z     0.0023    0.0075   -0.0074    0.0145    0.0036    0.0125
 AT.   5 SI X     0.0010    0.0006    0.0014    0.0025    0.0009   -0.0020
            Y    -0.0009    0.0050    0.0014    0.0019    0.0049   -0.0014
            Z    -0.0023   -0.0075    0.0074    0.0145    0.0036   -0.0125
 AT.   6 SI X    -0.0010   -0.0006    0.0014   -0.0025    0.0009   -0.0020
            Y     0.0009   -0.0050    0.0014   -0.0019    0.0049   -0.0014
            Z    -0.0023   -0.0075   -0.0074    0.0145   -0.0036    0.0125
 AT.   7 SI X    -0.0010    0.0006    0.0014    0.0025   -0.0009   -0.0020
            Y    -0.0009   -0.0050   -0.0014   -0.0019    0.0049    0.0014
            Z    -0.0023    0.0075   -0.0074   -0.0145    0.0036    0.0125
 AT.   8 SI X     0.0010   -0.0006    0.0014   -0.0025   -0.0009   -0.0020
            Y     0.0009    0.0050   -0.0014    0.0019    0.0049    0.0014
            Z    -0.0023    0.0075    0.0074   -0.0145   -0.0036   -0.0125
 AT.   9 SI X     0.0027    0.0009   -0.0009   -0.0023   -0.0017    0.0022
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            Y    -0.0026   -0.0012   -0.0071    0.0052    0.0023    0.0019
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            Y    -0.0026   -0.0012   -0.0071   -0.0052   -0.0023    0.0019
            Z    -0.0024   -0.0057   -0.0024   -0.0029    0.0066    0.0015
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            Y     0.0026    0.0012   -0.0071    0.0052   -0.0023    0.0019
            Z    -0.0024   -0.0057    0.0024   -0.0029   -0.0066   -0.0015
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            Y    -0.0026    0.0012    0.0071    0.0052   -0.0023   -0.0019
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            Z     0.0006   -0.0004    0.0000    0.0006    0.0001   -0.0007
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 AT.  87 O  X    -0.0038   -0.0013    0.0039    0.0020    0.0009    0.0001
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 AT.  89 O  X    -0.0038   -0.0013   -0.0039   -0.0020    0.0009   -0.0001
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 AT.  91 O  X     0.0038   -0.0013   -0.0039   -0.0020   -0.0009   -0.0001
            Y     0.0053   -0.0010   -0.0051   -0.0024   -0.0004   -0.0005
            Z     0.0113   -0.0002   -0.0098   -0.0027   -0.0012   -0.0032
 AT.  92 O  X    -0.0038    0.0013   -0.0039    0.0020   -0.0009   -0.0001
            Y    -0.0053    0.0010   -0.0051    0.0024   -0.0004   -0.0005
            Z     0.0113   -0.0002    0.0098   -0.0027    0.0012    0.0032
 AT.  93 O  X     0.0014    0.0022   -0.0020   -0.0030    0.0002    0.0024
            Y     0.0065    0.0078   -0.0023   -0.0069    0.0032    0.0071
            Z    -0.0008   -0.0003   -0.0010   -0.0009   -0.0005    0.0003
 AT.  94 O  X    -0.0014   -0.0022   -0.0020    0.0030    0.0002    0.0024
            Y    -0.0065   -0.0078   -0.0023    0.0069    0.0032    0.0071
            Z    -0.0008   -0.0003    0.0010   -0.0009    0.0005   -0.0003
 AT.  95 O  X    -0.0014    0.0022   -0.0020   -0.0030   -0.0002    0.0024
            Y     0.0065   -0.0078    0.0023    0.0069    0.0032   -0.0071
            Z    -0.0008    0.0003    0.0010    0.0009   -0.0005   -0.0003
 AT.  96 O  X     0.0014   -0.0022   -0.0020    0.0030   -0.0002    0.0024
            Y    -0.0065    0.0078    0.0023   -0.0069    0.0032   -0.0071
            Z    -0.0008    0.0003   -0.0010    0.0009    0.0005    0.0003
 AT.  97 O  X    -0.0014    0.0022    0.0020    0.0030   -0.0002   -0.0024
            Y    -0.0065    0.0078    0.0023    0.0069   -0.0032   -0.0071
            Z     0.0008   -0.0003    0.0010    0.0009    0.0005   -0.0003
 AT.  98 O  X     0.0014   -0.0022    0.0020   -0.0030   -0.0002   -0.0024
            Y     0.0065   -0.0078    0.0023   -0.0069   -0.0032   -0.0071
            Z     0.0008   -0.0003   -0.0010    0.0009   -0.0005    0.0003
 AT.  99 O  X     0.0014    0.0022    0.0020    0.0030    0.0002   -0.0024
            Y    -0.0065   -0.0078   -0.0023   -0.0069   -0.0032    0.0071
            Z     0.0008    0.0003   -0.0010   -0.0009    0.0005    0.0003
 AT. 100 O  X    -0.0014   -0.0022    0.0020   -0.0030    0.0002   -0.0024
            Y     0.0065    0.0078   -0.0023    0.0069   -0.0032    0.0071
            Z     0.0008    0.0003    0.0010   -0.0009   -0.0005   -0.0003
 AT. 101 O  X    -0.0063   -0.0053   -0.0052    0.0002   -0.0057   -0.0040
            Y    -0.0141   -0.0139   -0.0126    0.0002   -0.0161   -0.0083
            Z     0.0157    0.0159    0.0148   -0.0006    0.0183    0.0099
 AT. 102 O  X     0.0063    0.0053   -0.0052   -0.0002   -0.0057   -0.0040
            Y     0.0141    0.0139   -0.0126   -0.0002   -0.0161   -0.0083
            Z     0.0157    0.0159   -0.0148   -0.0006   -0.0183   -0.0099
 AT. 103 O  X     0.0063   -0.0053   -0.0052    0.0002    0.0057   -0.0040
            Y    -0.0141    0.0139    0.0126   -0.0002   -0.0161    0.0083
            Z     0.0157   -0.0159   -0.0148    0.0006    0.0183   -0.0099
 AT. 104 O  X    -0.0063    0.0053   -0.0052   -0.0002    0.0057   -0.0040
            Y     0.0141   -0.0139    0.0126    0.0002   -0.0161    0.0083
            Z     0.0157   -0.0159    0.0148    0.0006   -0.0183    0.0099
 AT. 105 O  X     0.0063   -0.0053    0.0052   -0.0002    0.0057    0.0040
            Y     0.0141   -0.0139    0.0126   -0.0002    0.0161    0.0083
            Z    -0.0157    0.0159   -0.0148    0.0006   -0.0183   -0.0099
 AT. 106 O  X    -0.0063    0.0053    0.0052    0.0002    0.0057    0.0040
            Y    -0.0141    0.0139    0.0126    0.0002    0.0161    0.0083
            Z    -0.0157    0.0159    0.0148    0.0006    0.0183    0.0099
 AT. 107 O  X    -0.0063   -0.0053    0.0052   -0.0002   -0.0057    0.0040
            Y     0.0141    0.0139   -0.0126    0.0002    0.0161   -0.0083
            Z    -0.0157   -0.0159    0.0148   -0.0006   -0.0183    0.0099
 AT. 108 O  X     0.0063    0.0053    0.0052    0.0002   -0.0057    0.0040
            Y    -0.0141   -0.0139   -0.0126   -0.0002    0.0161   -0.0083
            Z    -0.0157   -0.0159   -0.0148   -0.0006    0.0183   -0.0099
 AT. 109 O  X    -0.0106   -0.0044   -0.0013    0.0048    0.0011   -0.0066
            Y    -0.0005   -0.0005   -0.0004   -0.0004   -0.0009    0.0002
            Z    -0.0003    0.0007    0.0002   -0.0003    0.0014    0.0004
 AT. 110 O  X     0.0106    0.0044   -0.0013   -0.0048    0.0011   -0.0066
            Y     0.0005    0.0005   -0.0004    0.0004   -0.0009    0.0002
            Z    -0.0003    0.0007   -0.0002   -0.0003   -0.0014   -0.0004
 AT. 111 O  X     0.0106   -0.0044   -0.0013    0.0048   -0.0011   -0.0066
            Y    -0.0005    0.0005    0.0004    0.0004   -0.0009   -0.0002
            Z    -0.0003   -0.0007   -0.0002    0.0003    0.0014   -0.0004
 AT. 112 O  X    -0.0106    0.0044   -0.0013   -0.0048   -0.0011   -0.0066
            Y     0.0005   -0.0005    0.0004   -0.0004   -0.0009   -0.0002
            Z    -0.0003   -0.0007    0.0002    0.0003   -0.0014    0.0004
 AT. 113 O  X     0.0106   -0.0044    0.0013   -0.0048   -0.0011    0.0066
            Y     0.0005   -0.0005    0.0004    0.0004    0.0009   -0.0002
            Z     0.0003    0.0007   -0.0002    0.0003   -0.0014   -0.0004
 AT. 114 O  X    -0.0106    0.0044    0.0013    0.0048   -0.0011    0.0066
            Y    -0.0005    0.0005    0.0004   -0.0004    0.0009   -0.0002
            Z     0.0003    0.0007    0.0002    0.0003    0.0014    0.0004
 AT. 115 O  X    -0.0106   -0.0044    0.0013   -0.0048    0.0011    0.0066
            Y     0.0005    0.0005   -0.0004   -0.0004    0.0009    0.0002
            Z     0.0003   -0.0007    0.0002   -0.0003   -0.0014    0.0004
 AT. 116 O  X     0.0106    0.0044    0.0013    0.0048    0.0011    0.0066
            Y    -0.0005   -0.0005   -0.0004    0.0004    0.0009    0.0002
            Z     0.0003   -0.0007   -0.0002   -0.0003    0.0014   -0.0004
 AT. 117 O  X    -0.0002    0.0052   -0.0025   -0.0009    0.0067   -0.0020
            Y    -0.0008    0.0044   -0.0029    0.0000    0.0053   -0.0026
            Z    -0.0001    0.0063   -0.0017   -0.0011    0.0080   -0.0014
 AT. 118 O  X     0.0002   -0.0052   -0.0025    0.0009    0.0067   -0.0020
            Y     0.0008   -0.0044   -0.0029    0.0000    0.0053   -0.0026
            Z    -0.0001    0.0063    0.0017   -0.0011   -0.0080    0.0014
 AT. 119 O  X     0.0002    0.0052   -0.0025   -0.0009   -0.0067   -0.0020
            Y    -0.0008   -0.0044    0.0029    0.0000    0.0053    0.0026
            Z    -0.0001   -0.0063    0.0017    0.0011    0.0080    0.0014
 AT. 120 O  X    -0.0002   -0.0052   -0.0025    0.0009   -0.0067   -0.0020
            Y     0.0008    0.0044    0.0029    0.0000    0.0053    0.0026
            Z    -0.0001   -0.0063   -0.0017    0.0011   -0.0080   -0.0014
 AT. 121 O  X     0.0002    0.0052    0.0025    0.0009   -0.0067    0.0020
            Y     0.0008    0.0044    0.0029    0.0000   -0.0053    0.0026
            Z     0.0001    0.0063    0.0017    0.0011   -0.0080    0.0014
 AT. 122 O  X    -0.0002   -0.0052    0.0025   -0.0009   -0.0067    0.0020
            Y    -0.0008   -0.0044    0.0029    0.0000   -0.0053    0.0026
            Z     0.0001    0.0063   -0.0017    0.0011    0.0080   -0.0014
 AT. 123 O  X    -0.0002    0.0052    0.0025    0.0009    0.0067    0.0020
            Y     0.0008   -0.0044   -0.0029    0.0000   -0.0053   -0.0026
            Z     0.0001   -0.0063   -0.0017   -0.0011   -0.0080   -0.0014
 AT. 124 O  X     0.0002   -0.0052    0.0025   -0.0009    0.0067    0.0020
            Y    -0.0008    0.0044   -0.0029    0.0000   -0.0053   -0.0026
            Z     0.0001   -0.0063    0.0017   -0.0011    0.0080    0.0014

 FREQ(CM**-1)    908.47    909.46    919.54    925.03    928.70    928.77

 AT.   1 SI X    -0.0024   -0.0028   -0.0051    0.0121   -0.0159    0.0133
            Y    -0.0005   -0.0100   -0.0089   -0.0002    0.0020   -0.0007
            Z     0.0082    0.0103    0.0074   -0.0083    0.0006   -0.0010
 AT.   2 SI X     0.0024   -0.0028    0.0051    0.0121   -0.0159   -0.0133
            Y     0.0005   -0.0100    0.0089   -0.0002    0.0020    0.0007
            Z     0.0082   -0.0103    0.0074    0.0083   -0.0006   -0.0010
 AT.   3 SI X     0.0024   -0.0028   -0.0051   -0.0121   -0.0159   -0.0133
            Y    -0.0005    0.0100    0.0089   -0.0002   -0.0020   -0.0007
            Z     0.0082   -0.0103   -0.0074   -0.0083   -0.0006   -0.0010
 AT.   4 SI X    -0.0024   -0.0028    0.0051   -0.0121   -0.0159    0.0133
            Y     0.0005    0.0100   -0.0089   -0.0002   -0.0020    0.0007
            Z     0.0082    0.0103   -0.0074    0.0083    0.0006   -0.0010
 AT.   5 SI X    -0.0024   -0.0028   -0.0051    0.0121    0.0159    0.0133
            Y    -0.0005   -0.0100   -0.0089   -0.0002   -0.0020   -0.0007
            Z     0.0082    0.0103    0.0074   -0.0083   -0.0006   -0.0010
 AT.   6 SI X     0.0024   -0.0028    0.0051    0.0121    0.0159   -0.0133
            Y     0.0005   -0.0100    0.0089   -0.0002   -0.0020    0.0007
            Z     0.0082   -0.0103    0.0074    0.0083    0.0006   -0.0010
 AT.   7 SI X     0.0024   -0.0028   -0.0051   -0.0121    0.0159   -0.0133
            Y    -0.0005    0.0100    0.0089   -0.0002    0.0020   -0.0007
            Z     0.0082   -0.0103   -0.0074   -0.0083    0.0006   -0.0010
 AT.   8 SI X    -0.0024   -0.0028    0.0051   -0.0121    0.0159    0.0133
            Y     0.0005    0.0100   -0.0089   -0.0002    0.0020    0.0007
            Z     0.0082    0.0103   -0.0074    0.0083   -0.0006   -0.0010
 AT.   9 SI X    -0.0007   -0.0034   -0.0040   -0.0023    0.0012   -0.0025
            Y     0.0066    0.0054    0.0036    0.0052   -0.0024    0.0075
            Z     0.0017    0.0014   -0.0035    0.0041   -0.0016    0.0050
 AT.  10 SI X     0.0007   -0.0034    0.0040   -0.0023    0.0012    0.0025
            Y    -0.0066    0.0054   -0.0036    0.0052   -0.0024   -0.0075
            Z     0.0017   -0.0014   -0.0035   -0.0041    0.0016    0.0050
 AT.  11 SI X     0.0007   -0.0034   -0.0040    0.0023    0.0012    0.0025
            Y     0.0066   -0.0054   -0.0036    0.0052    0.0024    0.0075
            Z     0.0017   -0.0014    0.0035    0.0041    0.0016    0.0050
 AT.  12 SI X    -0.0007   -0.0034    0.0040    0.0023    0.0012   -0.0025
            Y    -0.0066   -0.0054    0.0036    0.0052    0.0024   -0.0075
            Z     0.0017    0.0014    0.0035   -0.0041   -0.0016    0.0050
 AT.  13 SI X    -0.0007   -0.0034   -0.0040   -0.0023   -0.0012   -0.0025
            Y     0.0066    0.0054    0.0036    0.0052    0.0024    0.0075
            Z     0.0017    0.0014   -0.0035    0.0041    0.0016    0.0050
 AT.  14 SI X     0.0007   -0.0034    0.0040   -0.0023   -0.0012    0.0025
            Y    -0.0066    0.0054   -0.0036    0.0052    0.0024   -0.0075
            Z     0.0017   -0.0014   -0.0035   -0.0041   -0.0016    0.0050
 AT.  15 SI X     0.0007   -0.0034   -0.0040    0.0023   -0.0012    0.0025
            Y     0.0066   -0.0054   -0.0036    0.0052   -0.0024    0.0075
            Z     0.0017   -0.0014    0.0035    0.0041   -0.0016    0.0050
 AT.  16 SI X    -0.0007   -0.0034    0.0040    0.0023   -0.0012   -0.0025
            Y    -0.0066   -0.0054    0.0036    0.0052   -0.0024   -0.0075
            Z     0.0017    0.0014    0.0035   -0.0041    0.0016    0.0050
 AT.  17 SI X     0.0120   -0.0028    0.0000    0.0000    0.0009   -0.0014
            Y     0.0000    0.0000    0.0010   -0.0005    0.0000    0.0000
            Z    -0.0042   -0.0001    0.0000    0.0000    0.0000    0.0008
 AT.  18 SI X    -0.0120   -0.0028    0.0000    0.0000    0.0009    0.0014
            Y     0.0000    0.0000   -0.0010   -0.0005    0.0000    0.0000
            Z    -0.0042    0.0001    0.0000    0.0000    0.0000    0.0008
 AT.  19 SI X     0.0120   -0.0028    0.0000    0.0000   -0.0009   -0.0014
            Y     0.0000    0.0000    0.0010   -0.0005    0.0000    0.0000
            Z    -0.0042   -0.0001    0.0000    0.0000    0.0000    0.0008
 AT.  20 SI X    -0.0120   -0.0028    0.0000    0.0000   -0.0009    0.0014
            Y     0.0000    0.0000   -0.0010   -0.0005    0.0000    0.0000
            Z    -0.0042    0.0001    0.0000    0.0000    0.0000    0.0008
 AT.  21 CA X     0.0000   -0.0001    0.0000    0.0003   -0.0003    0.0003
            Y     0.0001    0.0000    0.0000   -0.0001    0.0000   -0.0001
            Z     0.0008   -0.0010   -0.0006   -0.0009    0.0002   -0.0002
 AT.  22 CA X     0.0000   -0.0001    0.0000    0.0003   -0.0003   -0.0003
            Y    -0.0001    0.0000    0.0000   -0.0001    0.0000    0.0001
            Z     0.0008    0.0010   -0.0006    0.0009   -0.0002   -0.0002
 AT.  23 CA X     0.0000   -0.0001    0.0000   -0.0003   -0.0003   -0.0003
            Y     0.0001    0.0000    0.0000   -0.0001    0.0000   -0.0001
            Z     0.0008    0.0010    0.0006   -0.0009   -0.0002   -0.0002
 AT.  24 CA X     0.0000   -0.0001    0.0000   -0.0003   -0.0003    0.0003
            Y    -0.0001    0.0000    0.0000   -0.0001    0.0000    0.0001
            Z     0.0008   -0.0010    0.0006    0.0009    0.0002   -0.0002
 AT.  25 CA X     0.0000   -0.0001    0.0000    0.0003    0.0003    0.0003
            Y     0.0001    0.0000    0.0000   -0.0001    0.0000   -0.0001
            Z     0.0008   -0.0010   -0.0006   -0.0009   -0.0002   -0.0002
 AT.  26 CA X     0.0000   -0.0001    0.0000    0.0003    0.0003   -0.0003
            Y    -0.0001    0.0000    0.0000   -0.0001    0.0000    0.0001
            Z     0.0008    0.0010   -0.0006    0.0009    0.0002   -0.0002
 AT.  27 CA X     0.0000   -0.0001    0.0000   -0.0003    0.0003   -0.0003
            Y     0.0001    0.0000    0.0000   -0.0001    0.0000   -0.0001
            Z     0.0008    0.0010    0.0006   -0.0009    0.0002   -0.0002
 AT.  28 CA X     0.0000   -0.0001    0.0000   -0.0003    0.0003    0.0003
            Y    -0.0001    0.0000    0.0000   -0.0001    0.0000    0.0001
            Z     0.0008   -0.0010    0.0006    0.0009   -0.0002   -0.0002
 AT.  29 CA X     0.0000    0.0000    0.0002   -0.0005    0.0000   -0.0007
            Y    -0.0002   -0.0018   -0.0015    0.0002    0.0000    0.0000
            Z     0.0006    0.0006    0.0006   -0.0009    0.0000   -0.0002
 AT.  30 CA X     0.0000    0.0000   -0.0002   -0.0005    0.0000    0.0007
            Y     0.0002   -0.0018    0.0015    0.0002    0.0000    0.0000
            Z     0.0006   -0.0006    0.0006    0.0009    0.0000   -0.0002
 AT.  31 CA X     0.0000    0.0000    0.0002    0.0005    0.0000    0.0007
            Y    -0.0002    0.0018    0.0015    0.0002    0.0000    0.0000
            Z     0.0006   -0.0006   -0.0006   -0.0009    0.0000   -0.0002
 AT.  32 CA X     0.0000    0.0000   -0.0002    0.0005    0.0000   -0.0007
            Y     0.0002    0.0018   -0.0015    0.0002    0.0000    0.0000
            Z     0.0006    0.0006   -0.0006    0.0009    0.0000   -0.0002
 AT.  33 CA X     0.0000    0.0004    0.0003   -0.0003    0.0003   -0.0003
            Y     0.0000   -0.0001   -0.0004    0.0001   -0.0001    0.0002
            Z     0.0004   -0.0002    0.0000   -0.0001    0.0001    0.0001
 AT.  34 CA X     0.0000    0.0004   -0.0003   -0.0003    0.0003    0.0003
            Y     0.0000   -0.0001    0.0004    0.0001   -0.0001   -0.0002
            Z     0.0004    0.0002    0.0000    0.0001   -0.0001    0.0001
 AT.  35 CA X     0.0000    0.0004    0.0003    0.0003    0.0003    0.0003
            Y     0.0000    0.0001    0.0004    0.0001    0.0001    0.0002
            Z     0.0004    0.0002    0.0000   -0.0001   -0.0001    0.0001
 AT.  36 CA X     0.0000    0.0004   -0.0003    0.0003    0.0003   -0.0003
            Y     0.0000    0.0001   -0.0004    0.0001    0.0001   -0.0002
            Z     0.0004   -0.0002    0.0000    0.0001    0.0001    0.0001
 AT.  37 CA X     0.0000    0.0004    0.0003   -0.0003   -0.0003   -0.0003
            Y     0.0000   -0.0001   -0.0004    0.0001    0.0001    0.0002
            Z     0.0004   -0.0002    0.0000   -0.0001   -0.0001    0.0001
 AT.  38 CA X     0.0000    0.0004   -0.0003   -0.0003   -0.0003    0.0003
            Y     0.0000   -0.0001    0.0004    0.0001    0.0001   -0.0002
            Z     0.0004    0.0002    0.0000    0.0001    0.0001    0.0001
 AT.  39 CA X     0.0000    0.0004    0.0003    0.0003   -0.0003    0.0003
            Y     0.0000    0.0001    0.0004    0.0001   -0.0001    0.0002
            Z     0.0004    0.0002    0.0000   -0.0001    0.0001    0.0001
 AT.  40 CA X     0.0000    0.0004   -0.0003    0.0003   -0.0003   -0.0003
            Y     0.0000    0.0001   -0.0004    0.0001   -0.0001   -0.0002
            Z     0.0004   -0.0002    0.0000    0.0001   -0.0001    0.0001
 AT.  41 CA X     0.0003    0.0002   -0.0002   -0.0001    0.0000   -0.0001
            Y    -0.0001   -0.0001   -0.0006   -0.0002    0.0001   -0.0003
            Z    -0.0001    0.0002    0.0009    0.0001    0.0001    0.0001
 AT.  42 CA X    -0.0003    0.0002    0.0002   -0.0001    0.0000    0.0001
            Y     0.0001   -0.0001    0.0006   -0.0002    0.0001    0.0003
            Z    -0.0001   -0.0002    0.0009   -0.0001   -0.0001    0.0001
 AT.  43 CA X    -0.0003    0.0002   -0.0002    0.0001    0.0000    0.0001
            Y    -0.0001    0.0001    0.0006   -0.0002   -0.0001   -0.0003
            Z    -0.0001   -0.0002   -0.0009    0.0001   -0.0001    0.0001
 AT.  44 CA X     0.0003    0.0002    0.0002    0.0001    0.0000   -0.0001
            Y     0.0001    0.0001   -0.0006   -0.0002   -0.0001    0.0003
            Z    -0.0001    0.0002   -0.0009   -0.0001    0.0001    0.0001
 AT.  45 CA X     0.0003    0.0002   -0.0002   -0.0001    0.0000   -0.0001
            Y    -0.0001   -0.0001   -0.0006   -0.0002   -0.0001   -0.0003
            Z    -0.0001    0.0002    0.0009    0.0001   -0.0001    0.0001
 AT.  46 CA X    -0.0003    0.0002    0.0002   -0.0001    0.0000    0.0001
            Y     0.0001   -0.0001    0.0006   -0.0002   -0.0001    0.0003
            Z    -0.0001   -0.0002    0.0009   -0.0001    0.0001    0.0001
 AT.  47 CA X    -0.0003    0.0002   -0.0002    0.0001    0.0000    0.0001
            Y    -0.0001    0.0001    0.0006   -0.0002    0.0001   -0.0003
            Z    -0.0001   -0.0002   -0.0009    0.0001    0.0001    0.0001
 AT.  48 CA X     0.0003    0.0002    0.0002    0.0001    0.0000   -0.0001
            Y     0.0001    0.0001   -0.0006   -0.0002    0.0001    0.0003
            Z    -0.0001    0.0002   -0.0009   -0.0001   -0.0001    0.0001
 AT.  49 CA X    -0.0005    0.0001    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0000    0.0010    0.0001    0.0000    0.0000
            Z    -0.0014   -0.0003    0.0000    0.0000    0.0001   -0.0002
 AT.  50 CA X     0.0005    0.0001    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0000   -0.0010    0.0001    0.0000    0.0000
            Z    -0.0014    0.0003    0.0000    0.0000   -0.0001   -0.0002
 AT.  51 CA X    -0.0005    0.0001    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0000    0.0010    0.0001    0.0000    0.0000
            Z    -0.0014   -0.0003    0.0000    0.0000   -0.0001   -0.0002
 AT.  52 CA X     0.0005    0.0001    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0000   -0.0010    0.0001    0.0000    0.0000
            Z    -0.0014    0.0003    0.0000    0.0000    0.0001   -0.0002
 AT.  53 O  X     0.0005    0.0033    0.0031   -0.0013    0.0013   -0.0014
            Y     0.0016    0.0125    0.0118   -0.0046    0.0038   -0.0040
            Z    -0.0014   -0.0009   -0.0010    0.0016   -0.0005    0.0003
 AT.  54 O  X    -0.0005    0.0033   -0.0031   -0.0013    0.0013    0.0014
            Y    -0.0016    0.0125   -0.0118   -0.0046    0.0038    0.0040
            Z    -0.0014    0.0009   -0.0010   -0.0016    0.0005    0.0003
 AT.  55 O  X    -0.0005    0.0033    0.0031    0.0013    0.0013    0.0014
            Y     0.0016   -0.0125   -0.0118   -0.0046   -0.0038   -0.0040
            Z    -0.0014    0.0009    0.0010    0.0016    0.0005    0.0003
 AT.  56 O  X     0.0005    0.0033   -0.0031    0.0013    0.0013   -0.0014
            Y    -0.0016   -0.0125    0.0118   -0.0046   -0.0038    0.0040
            Z    -0.0014   -0.0009    0.0010   -0.0016   -0.0005    0.0003
 AT.  57 O  X     0.0005    0.0033    0.0031   -0.0013   -0.0013   -0.0014
            Y     0.0016    0.0125    0.0118   -0.0046   -0.0038   -0.0040
            Z    -0.0014   -0.0009   -0.0010    0.0016    0.0005    0.0003
 AT.  58 O  X    -0.0005    0.0033   -0.0031   -0.0013   -0.0013    0.0014
            Y    -0.0016    0.0125   -0.0118   -0.0046   -0.0038    0.0040
            Z    -0.0014    0.0009   -0.0010   -0.0016   -0.0005    0.0003
 AT.  59 O  X    -0.0005    0.0033    0.0031    0.0013   -0.0013    0.0014
            Y     0.0016   -0.0125   -0.0118   -0.0046    0.0038   -0.0040
            Z    -0.0014    0.0009    0.0010    0.0016   -0.0005    0.0003
 AT.  60 O  X     0.0005    0.0033   -0.0031    0.0013   -0.0013   -0.0014
            Y    -0.0016   -0.0125    0.0118   -0.0046    0.0038    0.0040
            Z    -0.0014   -0.0009    0.0010   -0.0016    0.0005    0.0003
 AT.  61 O  X     0.0026    0.0015    0.0011   -0.0041    0.0027   -0.0022
            Y    -0.0038   -0.0010   -0.0001    0.0065   -0.0045    0.0037
            Z    -0.0077   -0.0061   -0.0049    0.0113   -0.0068    0.0055
 AT.  62 O  X    -0.0026    0.0015   -0.0011   -0.0041    0.0027    0.0022
            Y     0.0038   -0.0010    0.0001    0.0065   -0.0045   -0.0037
            Z    -0.0077    0.0061   -0.0049   -0.0113    0.0068    0.0055
 AT.  63 O  X    -0.0026    0.0015    0.0011    0.0041    0.0027    0.0022
            Y    -0.0038    0.0010    0.0001    0.0065    0.0045    0.0037
            Z    -0.0077    0.0061    0.0049    0.0113    0.0068    0.0055
 AT.  64 O  X     0.0026    0.0015   -0.0011    0.0041    0.0027   -0.0022
            Y     0.0038    0.0010   -0.0001    0.0065    0.0045   -0.0037
            Z    -0.0077   -0.0061    0.0049   -0.0113   -0.0068    0.0055
 AT.  65 O  X     0.0026    0.0015    0.0011   -0.0041   -0.0027   -0.0022
            Y    -0.0038   -0.0010   -0.0001    0.0065    0.0045    0.0037
            Z    -0.0077   -0.0061   -0.0049    0.0113    0.0068    0.0055
 AT.  66 O  X    -0.0026    0.0015   -0.0011   -0.0041   -0.0027    0.0022
            Y     0.0038   -0.0010    0.0001    0.0065    0.0045   -0.0037
            Z    -0.0077    0.0061   -0.0049   -0.0113   -0.0068    0.0055
 AT.  67 O  X    -0.0026    0.0015    0.0011    0.0041   -0.0027    0.0022
            Y    -0.0038    0.0010    0.0001    0.0065   -0.0045    0.0037
            Z    -0.0077    0.0061    0.0049    0.0113   -0.0068    0.0055
 AT.  68 O  X     0.0026    0.0015   -0.0011    0.0041   -0.0027   -0.0022
            Y     0.0038    0.0010   -0.0001    0.0065   -0.0045   -0.0037
            Z    -0.0077   -0.0061    0.0049   -0.0113    0.0068    0.0055
 AT.  69 O  X    -0.0021   -0.0039   -0.0026    0.0005    0.0021   -0.0018
            Y     0.0030    0.0081    0.0060   -0.0011   -0.0033    0.0020
            Z    -0.0069   -0.0117   -0.0081    0.0042    0.0051   -0.0032
 AT.  70 O  X     0.0021   -0.0039    0.0026    0.0005    0.0021    0.0018
            Y    -0.0030    0.0081   -0.0060   -0.0011   -0.0033   -0.0020
            Z    -0.0069    0.0117   -0.0081   -0.0042   -0.0051   -0.0032
 AT.  71 O  X     0.0021   -0.0039   -0.0026   -0.0005    0.0021    0.0018
            Y     0.0030   -0.0081   -0.0060   -0.0011    0.0033    0.0020
            Z    -0.0069    0.0117    0.0081    0.0042   -0.0051   -0.0032
 AT.  72 O  X    -0.0021   -0.0039    0.0026   -0.0005    0.0021   -0.0018
            Y    -0.0030   -0.0081    0.0060   -0.0011    0.0033   -0.0020
            Z    -0.0069   -0.0117    0.0081   -0.0042    0.0051   -0.0032
 AT.  73 O  X    -0.0021   -0.0039   -0.0026    0.0005   -0.0021   -0.0018
            Y     0.0030    0.0081    0.0060   -0.0011    0.0033    0.0020
            Z    -0.0069   -0.0117   -0.0081    0.0042   -0.0051   -0.0032
 AT.  74 O  X     0.0021   -0.0039    0.0026    0.0005   -0.0021    0.0018
            Y    -0.0030    0.0081   -0.0060   -0.0011    0.0033   -0.0020
            Z    -0.0069    0.0117   -0.0081   -0.0042    0.0051   -0.0032
 AT.  75 O  X     0.0021   -0.0039   -0.0026   -0.0005   -0.0021    0.0018
            Y     0.0030   -0.0081   -0.0060   -0.0011   -0.0033    0.0020
            Z    -0.0069    0.0117    0.0081    0.0042    0.0051   -0.0032
 AT.  76 O  X    -0.0021   -0.0039    0.0026   -0.0005   -0.0021   -0.0018
            Y    -0.0030   -0.0081    0.0060   -0.0011   -0.0033   -0.0020
            Z    -0.0069   -0.0117    0.0081   -0.0042   -0.0051   -0.0032
 AT.  77 O  X     0.0029    0.0032    0.0061   -0.0146    0.0198   -0.0161
            Y     0.0001    0.0026    0.0025    0.0002   -0.0006    0.0002
            Z    -0.0015   -0.0019   -0.0014    0.0015    0.0002    0.0000
 AT.  78 O  X    -0.0029    0.0032   -0.0061   -0.0146    0.0198    0.0161
            Y    -0.0001    0.0026   -0.0025    0.0002   -0.0006   -0.0002
            Z    -0.0015    0.0019   -0.0014   -0.0015   -0.0002    0.0000
 AT.  79 O  X    -0.0029    0.0032    0.0061    0.0146    0.0198    0.0161
            Y     0.0001   -0.0026   -0.0025    0.0002    0.0006    0.0002
            Z    -0.0015    0.0019    0.0014    0.0015   -0.0002    0.0000
 AT.  80 O  X     0.0029    0.0032   -0.0061    0.0146    0.0198   -0.0161
            Y    -0.0001   -0.0026    0.0025    0.0002    0.0006   -0.0002
            Z    -0.0015   -0.0019    0.0014   -0.0015    0.0002    0.0000
 AT.  81 O  X     0.0029    0.0032    0.0061   -0.0146   -0.0198   -0.0161
            Y     0.0001    0.0026    0.0025    0.0002    0.0006    0.0002
            Z    -0.0015   -0.0019   -0.0014    0.0015   -0.0002    0.0000
 AT.  82 O  X    -0.0029    0.0032   -0.0061   -0.0146   -0.0198    0.0161
            Y    -0.0001    0.0026   -0.0025    0.0002    0.0006   -0.0002
            Z    -0.0015    0.0019   -0.0014   -0.0015    0.0002    0.0000
 AT.  83 O  X    -0.0029    0.0032    0.0061    0.0146   -0.0198    0.0161
            Y     0.0001   -0.0026   -0.0025    0.0002   -0.0006    0.0002
            Z    -0.0015    0.0019    0.0014    0.0015    0.0002    0.0000
 AT.  84 O  X     0.0029    0.0032   -0.0061    0.0146   -0.0198   -0.0161
            Y    -0.0001   -0.0026    0.0025    0.0002   -0.0006   -0.0002
            Z    -0.0015   -0.0019    0.0014   -0.0015   -0.0002    0.0000
 AT.  85 O  X     0.0032    0.0017    0.0002    0.0024   -0.0009    0.0030
            Y    -0.0042   -0.0021   -0.0008   -0.0031    0.0014   -0.0039
            Z    -0.0091   -0.0012    0.0006   -0.0048    0.0019   -0.0064
 AT.  86 O  X    -0.0032    0.0017   -0.0002    0.0024   -0.0009   -0.0030
            Y     0.0042   -0.0021    0.0008   -0.0031    0.0014    0.0039
            Z    -0.0091    0.0012    0.0006    0.0048   -0.0019   -0.0064
 AT.  87 O  X    -0.0032    0.0017    0.0002   -0.0024   -0.0009   -0.0030
            Y    -0.0042    0.0021    0.0008   -0.0031   -0.0014   -0.0039
            Z    -0.0091    0.0012   -0.0006   -0.0048   -0.0019   -0.0064
 AT.  88 O  X     0.0032    0.0017   -0.0002   -0.0024   -0.0009    0.0030
            Y     0.0042    0.0021   -0.0008   -0.0031   -0.0014    0.0039
            Z    -0.0091   -0.0012   -0.0006    0.0048    0.0019   -0.0064
 AT.  89 O  X     0.0032    0.0017    0.0002    0.0024    0.0009    0.0030
            Y    -0.0042   -0.0021   -0.0008   -0.0031   -0.0014   -0.0039
            Z    -0.0091   -0.0012    0.0006   -0.0048   -0.0019   -0.0064
 AT.  90 O  X    -0.0032    0.0017   -0.0002    0.0024    0.0009   -0.0030
            Y     0.0042   -0.0021    0.0008   -0.0031   -0.0014    0.0039
            Z    -0.0091    0.0012    0.0006    0.0048    0.0019   -0.0064
 AT.  91 O  X    -0.0032    0.0017    0.0002   -0.0024    0.0009   -0.0030
            Y    -0.0042    0.0021    0.0008   -0.0031    0.0014   -0.0039
            Z    -0.0091    0.0012   -0.0006   -0.0048    0.0019   -0.0064
 AT.  92 O  X     0.0032    0.0017   -0.0002   -0.0024    0.0009    0.0030
            Y     0.0042    0.0021   -0.0008   -0.0031    0.0014    0.0039
            Z    -0.0091   -0.0012   -0.0006    0.0048   -0.0019   -0.0064
 AT.  93 O  X    -0.0017   -0.0029   -0.0009   -0.0027    0.0013   -0.0038
            Y    -0.0026   -0.0075   -0.0010   -0.0063    0.0029   -0.0097
            Z    -0.0007   -0.0003   -0.0003   -0.0010    0.0002   -0.0012
 AT.  94 O  X     0.0017   -0.0029    0.0009   -0.0027    0.0013    0.0038
            Y     0.0026   -0.0075    0.0010   -0.0063    0.0029    0.0097
            Z    -0.0007    0.0003   -0.0003    0.0010   -0.0002   -0.0012
 AT.  95 O  X     0.0017   -0.0029   -0.0009    0.0027    0.0013    0.0038
            Y    -0.0026    0.0075    0.0010   -0.0063   -0.0029   -0.0097
            Z    -0.0007    0.0003    0.0003   -0.0010   -0.0002   -0.0012
 AT.  96 O  X    -0.0017   -0.0029    0.0009    0.0027    0.0013   -0.0038
            Y     0.0026    0.0075   -0.0010   -0.0063   -0.0029    0.0097
            Z    -0.0007   -0.0003    0.0003    0.0010    0.0002   -0.0012
 AT.  97 O  X    -0.0017   -0.0029   -0.0009   -0.0027   -0.0013   -0.0038
            Y    -0.0026   -0.0075   -0.0010   -0.0063   -0.0029   -0.0097
            Z    -0.0007   -0.0003   -0.0003   -0.0010   -0.0002   -0.0012
 AT.  98 O  X     0.0017   -0.0029    0.0009   -0.0027   -0.0013    0.0038
            Y     0.0026   -0.0075    0.0010   -0.0063   -0.0029    0.0097
            Z    -0.0007    0.0003   -0.0003    0.0010    0.0002   -0.0012
 AT.  99 O  X     0.0017   -0.0029   -0.0009    0.0027   -0.0013    0.0038
            Y    -0.0026    0.0075    0.0010   -0.0063    0.0029   -0.0097
            Z    -0.0007    0.0003    0.0003   -0.0010    0.0002   -0.0012
 AT. 100 O  X    -0.0017   -0.0029    0.0009    0.0027   -0.0013   -0.0038
            Y     0.0026    0.0075   -0.0010   -0.0063    0.0029    0.0097
            Z    -0.0007   -0.0003    0.0003    0.0010   -0.0002   -0.0012
 AT. 101 O  X    -0.0049    0.0012   -0.0030    0.0004   -0.0004    0.0007
            Y    -0.0116    0.0001   -0.0098    0.0007   -0.0003    0.0012
            Z     0.0141   -0.0003    0.0109   -0.0014    0.0005   -0.0017
 AT. 102 O  X     0.0049    0.0012    0.0030    0.0004   -0.0004   -0.0007
            Y     0.0116    0.0001    0.0098    0.0007   -0.0003   -0.0012
            Z     0.0141    0.0003    0.0109    0.0014   -0.0005   -0.0017
 AT. 103 O  X     0.0049    0.0012   -0.0030   -0.0004   -0.0004   -0.0007
            Y    -0.0116   -0.0001    0.0098    0.0007    0.0003    0.0012
            Z     0.0141    0.0003   -0.0109   -0.0014   -0.0005   -0.0017
 AT. 104 O  X    -0.0049    0.0012    0.0030   -0.0004   -0.0004    0.0007
            Y     0.0116   -0.0001   -0.0098    0.0007    0.0003   -0.0012
            Z     0.0141   -0.0003   -0.0109    0.0014    0.0005   -0.0017
 AT. 105 O  X    -0.0049    0.0012   -0.0030    0.0004    0.0004    0.0007
            Y    -0.0116    0.0001   -0.0098    0.0007    0.0003    0.0012
            Z     0.0141   -0.0003    0.0109   -0.0014   -0.0005   -0.0017
 AT. 106 O  X     0.0049    0.0012    0.0030    0.0004    0.0004   -0.0007
            Y     0.0116    0.0001    0.0098    0.0007    0.0003   -0.0012
            Z     0.0141    0.0003    0.0109    0.0014    0.0005   -0.0017
 AT. 107 O  X     0.0049    0.0012   -0.0030   -0.0004    0.0004   -0.0007
            Y    -0.0116   -0.0001    0.0098    0.0007   -0.0003    0.0012
            Z     0.0141    0.0003   -0.0109   -0.0014    0.0005   -0.0017
 AT. 108 O  X    -0.0049    0.0012    0.0030   -0.0004    0.0004    0.0007
            Y     0.0116   -0.0001   -0.0098    0.0007   -0.0003   -0.0012
            Z     0.0141   -0.0003   -0.0109    0.0014   -0.0005   -0.0017
 AT. 109 O  X    -0.0013    0.0064    0.0057    0.0040   -0.0022    0.0048
            Y    -0.0002   -0.0005   -0.0010   -0.0005    0.0003   -0.0005
            Z     0.0005    0.0002    0.0010   -0.0007    0.0002   -0.0007
 AT. 110 O  X     0.0013    0.0064   -0.0057    0.0040   -0.0022   -0.0048
            Y     0.0002   -0.0005    0.0010   -0.0005    0.0003    0.0005
            Z     0.0005   -0.0002    0.0010    0.0007   -0.0002   -0.0007
 AT. 111 O  X     0.0013    0.0064    0.0057   -0.0040   -0.0022   -0.0048
            Y    -0.0002    0.0005    0.0010   -0.0005   -0.0003   -0.0005
            Z     0.0005   -0.0002   -0.0010   -0.0007   -0.0002   -0.0007
 AT. 112 O  X    -0.0013    0.0064   -0.0057   -0.0040   -0.0022    0.0048
            Y     0.0002    0.0005   -0.0010   -0.0005   -0.0003    0.0005
            Z     0.0005    0.0002   -0.0010    0.0007    0.0002   -0.0007
 AT. 113 O  X    -0.0013    0.0064    0.0057    0.0040    0.0022    0.0048
            Y    -0.0002   -0.0005   -0.0010   -0.0005   -0.0003   -0.0005
            Z     0.0005    0.0002    0.0010   -0.0007   -0.0002   -0.0007
 AT. 114 O  X     0.0013    0.0064   -0.0057    0.0040    0.0022   -0.0048
            Y     0.0002   -0.0005    0.0010   -0.0005   -0.0003    0.0005
            Z     0.0005   -0.0002    0.0010    0.0007    0.0002   -0.0007
 AT. 115 O  X     0.0013    0.0064    0.0057   -0.0040    0.0022   -0.0048
            Y    -0.0002    0.0005    0.0010   -0.0005    0.0003   -0.0005
            Z     0.0005   -0.0002   -0.0010   -0.0007    0.0002   -0.0007
 AT. 116 O  X    -0.0013    0.0064   -0.0057   -0.0040    0.0022    0.0048
            Y     0.0002    0.0005   -0.0010   -0.0005    0.0003    0.0005
            Z     0.0005    0.0002   -0.0010    0.0007   -0.0002   -0.0007
 AT. 117 O  X    -0.0039    0.0016    0.0051   -0.0007   -0.0003    0.0001
            Y    -0.0043    0.0010    0.0041    0.0002   -0.0005    0.0006
            Z    -0.0026    0.0005    0.0058   -0.0009   -0.0003    0.0002
 AT. 118 O  X     0.0039    0.0016   -0.0051   -0.0007   -0.0003   -0.0001
            Y     0.0043    0.0010   -0.0041    0.0002   -0.0005   -0.0006
            Z    -0.0026   -0.0005    0.0058    0.0009    0.0003    0.0002
 AT. 119 O  X     0.0039    0.0016    0.0051    0.0007   -0.0003   -0.0001
            Y    -0.0043   -0.0010   -0.0041    0.0002    0.0005    0.0006
            Z    -0.0026   -0.0005   -0.0058   -0.0009    0.0003    0.0002
 AT. 120 O  X    -0.0039    0.0016   -0.0051    0.0007   -0.0003    0.0001
            Y     0.0043   -0.0010    0.0041    0.0002    0.0005   -0.0006
            Z    -0.0026    0.0005   -0.0058    0.0009   -0.0003    0.0002
 AT. 121 O  X    -0.0039    0.0016    0.0051   -0.0007    0.0003    0.0001
            Y    -0.0043    0.0010    0.0041    0.0002    0.0005    0.0006
            Z    -0.0026    0.0005    0.0058   -0.0009    0.0003    0.0002
 AT. 122 O  X     0.0039    0.0016   -0.0051   -0.0007    0.0003   -0.0001
            Y     0.0043    0.0010   -0.0041    0.0002    0.0005   -0.0006
            Z    -0.0026   -0.0005    0.0058    0.0009   -0.0003    0.0002
 AT. 123 O  X     0.0039    0.0016    0.0051    0.0007    0.0003   -0.0001
            Y    -0.0043   -0.0010   -0.0041    0.0002   -0.0005    0.0006
            Z    -0.0026   -0.0005   -0.0058   -0.0009   -0.0003    0.0002
 AT. 124 O  X    -0.0039    0.0016   -0.0051    0.0007    0.0003    0.0001
            Y     0.0043   -0.0010    0.0041    0.0002   -0.0005   -0.0006
            Z    -0.0026    0.0005   -0.0058    0.0009    0.0003    0.0002

 FREQ(CM**-1)    928.94    929.00    929.34    933.29    933.37    939.30

 AT.   1 SI X    -0.0162   -0.0159   -0.0157    0.0159    0.0161    0.0110
            Y     0.0020    0.0020    0.0034   -0.0023   -0.0021   -0.0022
            Z    -0.0016    0.0008   -0.0024   -0.0004   -0.0002    0.0082
 AT.   2 SI X    -0.0162    0.0159    0.0157   -0.0159    0.0161    0.0110
            Y     0.0020   -0.0020   -0.0034    0.0023   -0.0021   -0.0022
            Z     0.0016    0.0008   -0.0024   -0.0004    0.0002   -0.0082
 AT.   3 SI X    -0.0162   -0.0159   -0.0157   -0.0159   -0.0161   -0.0110
            Y    -0.0020   -0.0020   -0.0034   -0.0023   -0.0021   -0.0022
            Z     0.0016   -0.0008    0.0024   -0.0004   -0.0002    0.0082
 AT.   4 SI X    -0.0162    0.0159    0.0157    0.0159   -0.0161   -0.0110
            Y    -0.0020    0.0020    0.0034    0.0023   -0.0021   -0.0022
            Z    -0.0016   -0.0008    0.0024   -0.0004    0.0002   -0.0082
 AT.   5 SI X    -0.0162    0.0159   -0.0157   -0.0159   -0.0161    0.0110
            Y     0.0020   -0.0020    0.0034    0.0023    0.0021   -0.0022
            Z    -0.0016   -0.0008   -0.0024    0.0004    0.0002    0.0082
 AT.   6 SI X    -0.0162   -0.0159    0.0157    0.0159   -0.0161    0.0110
            Y     0.0020    0.0020   -0.0034   -0.0023    0.0021   -0.0022
            Z     0.0016   -0.0008   -0.0024    0.0004   -0.0002   -0.0082
 AT.   7 SI X    -0.0162    0.0159   -0.0157    0.0159    0.0161   -0.0110
            Y    -0.0020    0.0020   -0.0034    0.0023    0.0021   -0.0022
            Z     0.0016    0.0008    0.0024    0.0004    0.0002    0.0082
 AT.   8 SI X    -0.0162   -0.0159    0.0157   -0.0159    0.0161   -0.0110
            Y    -0.0020   -0.0020    0.0034   -0.0023    0.0021   -0.0022
            Z    -0.0016    0.0008    0.0024    0.0004   -0.0002   -0.0082
 AT.   9 SI X     0.0001    0.0012    0.0009    0.0016    0.0015    0.0005
            Y    -0.0017   -0.0023   -0.0018   -0.0008   -0.0005   -0.0058
            Z    -0.0005   -0.0014    0.0006   -0.0013   -0.0008   -0.0055
 AT.  10 SI X     0.0001   -0.0012   -0.0009   -0.0016    0.0015    0.0005
            Y    -0.0017    0.0023    0.0018    0.0008   -0.0005   -0.0058
            Z     0.0005   -0.0014    0.0006   -0.0013    0.0008    0.0055
 AT.  11 SI X     0.0001    0.0012    0.0009   -0.0016   -0.0015   -0.0005
            Y     0.0017    0.0023    0.0018   -0.0008   -0.0005   -0.0058
            Z     0.0005    0.0014   -0.0006   -0.0013   -0.0008   -0.0055
 AT.  12 SI X     0.0001   -0.0012   -0.0009    0.0016   -0.0015   -0.0005
            Y     0.0017   -0.0023   -0.0018    0.0008   -0.0005   -0.0058
            Z    -0.0005    0.0014   -0.0006   -0.0013    0.0008    0.0055
 AT.  13 SI X     0.0001   -0.0012    0.0009   -0.0016   -0.0015    0.0005
            Y    -0.0017    0.0023   -0.0018    0.0008    0.0005   -0.0058
            Z    -0.0005    0.0014    0.0006    0.0013    0.0008   -0.0055
 AT.  14 SI X     0.0001    0.0012   -0.0009    0.0016   -0.0015    0.0005
            Y    -0.0017   -0.0023    0.0018   -0.0008    0.0005   -0.0058
            Z     0.0005    0.0014    0.0006    0.0013   -0.0008    0.0055
 AT.  15 SI X     0.0001   -0.0012    0.0009    0.0016    0.0015   -0.0005
            Y     0.0017   -0.0023    0.0018    0.0008    0.0005   -0.0058
            Z     0.0005   -0.0014   -0.0006    0.0013    0.0008   -0.0055
 AT.  16 SI X     0.0001    0.0012   -0.0009   -0.0016    0.0015   -0.0005
            Y     0.0017    0.0023   -0.0018   -0.0008    0.0005   -0.0058
            Z    -0.0005   -0.0014   -0.0006    0.0013   -0.0008    0.0055
 AT.  17 SI X    -0.0002    0.0000    0.0000    0.0016    0.0000    0.0000
            Y     0.0000    0.0003    0.0002    0.0000    0.0002    0.0003
            Z     0.0003    0.0000    0.0000   -0.0001    0.0000    0.0000
 AT.  18 SI X    -0.0002    0.0000    0.0000   -0.0016    0.0000    0.0000
            Y     0.0000   -0.0003   -0.0002    0.0000    0.0002    0.0003
            Z    -0.0003    0.0000    0.0000   -0.0001    0.0000    0.0000
 AT.  19 SI X    -0.0002    0.0000    0.0000   -0.0016    0.0000    0.0000
            Y     0.0000   -0.0003    0.0002    0.0000   -0.0002    0.0003
            Z     0.0003    0.0000    0.0000    0.0001    0.0000    0.0000
 AT.  20 SI X    -0.0002    0.0000    0.0000    0.0016    0.0000    0.0000
            Y     0.0000    0.0003   -0.0002    0.0000   -0.0002    0.0003
            Z    -0.0003    0.0000    0.0000    0.0001    0.0000    0.0000
 AT.  21 CA X     0.0003   -0.0003    0.0003   -0.0003   -0.0003    0.0004
            Y    -0.0003    0.0000   -0.0003    0.0005    0.0005    0.0001
            Z     0.0000    0.0002    0.0001    0.0000    0.0000    0.0010
 AT.  22 CA X     0.0003    0.0003   -0.0003    0.0003   -0.0003    0.0004
            Y    -0.0003    0.0000    0.0003   -0.0005    0.0005    0.0001
            Z     0.0000    0.0002    0.0001    0.0000    0.0000   -0.0010
 AT.  23 CA X     0.0003   -0.0003    0.0003    0.0003    0.0003   -0.0004
            Y     0.0003    0.0000    0.0003    0.0005    0.0005    0.0001
            Z     0.0000   -0.0002   -0.0001    0.0000    0.0000    0.0010
 AT.  24 CA X     0.0003    0.0003   -0.0003   -0.0003    0.0003   -0.0004
            Y     0.0003    0.0000   -0.0003   -0.0005    0.0005    0.0001
            Z     0.0000   -0.0002   -0.0001    0.0000    0.0000   -0.0010
 AT.  25 CA X     0.0003    0.0003    0.0003    0.0003    0.0003    0.0004
            Y    -0.0003    0.0000   -0.0003   -0.0005   -0.0005    0.0001
            Z     0.0000   -0.0002    0.0001    0.0000    0.0000    0.0010
 AT.  26 CA X     0.0003   -0.0003   -0.0003   -0.0003    0.0003    0.0004
            Y    -0.0003    0.0000    0.0003    0.0005   -0.0005    0.0001
            Z     0.0000   -0.0002    0.0001    0.0000    0.0000   -0.0010
 AT.  27 CA X     0.0003    0.0003    0.0003   -0.0003   -0.0003   -0.0004
            Y     0.0003    0.0000    0.0003   -0.0005   -0.0005    0.0001
            Z     0.0000    0.0002   -0.0001    0.0000    0.0000    0.0010
 AT.  28 CA X     0.0003   -0.0003   -0.0003    0.0003   -0.0003   -0.0004
            Y     0.0003    0.0000   -0.0003    0.0005   -0.0005    0.0001
            Z     0.0000    0.0002   -0.0001    0.0000    0.0000   -0.0010
 AT.  29 CA X     0.0008    0.0000    0.0008    0.0000    0.0000   -0.0007
            Y     0.0002    0.0000    0.0005    0.0000    0.0000   -0.0003
            Z    -0.0002    0.0000   -0.0003    0.0000    0.0000    0.0011
 AT.  30 CA X     0.0008    0.0000   -0.0008    0.0000    0.0000   -0.0007
            Y     0.0002    0.0000   -0.0005    0.0000    0.0000   -0.0003
            Z     0.0002    0.0000   -0.0003    0.0000    0.0000   -0.0011
 AT.  31 CA X     0.0008    0.0000    0.0008    0.0000    0.0000    0.0007
            Y    -0.0002    0.0000   -0.0005    0.0000    0.0000   -0.0003
            Z     0.0002    0.0000    0.0003    0.0000    0.0000    0.0011
 AT.  32 CA X     0.0008    0.0000   -0.0008    0.0000    0.0000    0.0007
            Y    -0.0002    0.0000    0.0005    0.0000    0.0000   -0.0003
            Z    -0.0002    0.0000    0.0003    0.0000    0.0000   -0.0011
 AT.  33 CA X     0.0004    0.0004    0.0003   -0.0004   -0.0004   -0.0002
            Y     0.0000   -0.0001    0.0001   -0.0001   -0.0001   -0.0001
            Z     0.0000    0.0001    0.0000   -0.0002   -0.0002   -0.0002
 AT.  34 CA X     0.0004   -0.0004   -0.0003    0.0004   -0.0004   -0.0002
            Y     0.0000    0.0001   -0.0001    0.0001   -0.0001   -0.0001
            Z     0.0000    0.0001    0.0000   -0.0002    0.0002    0.0002
 AT.  35 CA X     0.0004    0.0004    0.0003    0.0004    0.0004    0.0002
            Y     0.0000    0.0001   -0.0001   -0.0001   -0.0001   -0.0001
            Z     0.0000   -0.0001    0.0000   -0.0002   -0.0002   -0.0002
 AT.  36 CA X     0.0004   -0.0004   -0.0003   -0.0004    0.0004    0.0002
            Y     0.0000   -0.0001    0.0001    0.0001   -0.0001   -0.0001
            Z     0.0000   -0.0001    0.0000   -0.0002    0.0002    0.0002
 AT.  37 CA X     0.0004   -0.0004    0.0003    0.0004    0.0004   -0.0002
            Y     0.0000    0.0001    0.0001    0.0001    0.0001   -0.0001
            Z     0.0000   -0.0001    0.0000    0.0002    0.0002   -0.0002
 AT.  38 CA X     0.0004    0.0004   -0.0003   -0.0004    0.0004   -0.0002
            Y     0.0000   -0.0001   -0.0001   -0.0001    0.0001   -0.0001
            Z     0.0000   -0.0001    0.0000    0.0002   -0.0002    0.0002
 AT.  39 CA X     0.0004   -0.0004    0.0003   -0.0004   -0.0004    0.0002
            Y     0.0000   -0.0001   -0.0001    0.0001    0.0001   -0.0001
            Z     0.0000    0.0001    0.0000    0.0002    0.0002   -0.0002
 AT.  40 CA X     0.0004    0.0004   -0.0003    0.0004   -0.0004    0.0002
            Y     0.0000    0.0001    0.0001   -0.0001    0.0001   -0.0001
            Z     0.0000    0.0001    0.0000    0.0002   -0.0002    0.0002
 AT.  41 CA X    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0002
            Y     0.0002    0.0001    0.0003   -0.0002   -0.0002    0.0002
            Z     0.0002    0.0001   -0.0001   -0.0001   -0.0002   -0.0006
 AT.  42 CA X    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0002
            Y     0.0002   -0.0001   -0.0003    0.0002   -0.0002    0.0002
            Z    -0.0002    0.0001   -0.0001   -0.0001    0.0002    0.0006
 AT.  43 CA X    -0.0001    0.0000    0.0000    0.0000    0.0000   -0.0002
            Y    -0.0002   -0.0001   -0.0003   -0.0002   -0.0002    0.0002
            Z    -0.0002   -0.0001    0.0001   -0.0001   -0.0002   -0.0006
 AT.  44 CA X    -0.0001    0.0000    0.0000    0.0000    0.0000   -0.0002
            Y    -0.0002    0.0001    0.0003    0.0002   -0.0002    0.0002
            Z     0.0002   -0.0001    0.0001   -0.0001    0.0002    0.0006
 AT.  45 CA X    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0002
            Y     0.0002   -0.0001    0.0003    0.0002    0.0002    0.0002
            Z     0.0002   -0.0001   -0.0001    0.0001    0.0002   -0.0006
 AT.  46 CA X    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0002
            Y     0.0002    0.0001   -0.0003   -0.0002    0.0002    0.0002
            Z    -0.0002   -0.0001   -0.0001    0.0001   -0.0002    0.0006
 AT.  47 CA X    -0.0001    0.0000    0.0000    0.0000    0.0000   -0.0002
            Y    -0.0002    0.0001   -0.0003    0.0002    0.0002    0.0002
            Z    -0.0002    0.0001    0.0001    0.0001    0.0002   -0.0006
 AT.  48 CA X    -0.0001    0.0000    0.0000    0.0000    0.0000   -0.0002
            Y    -0.0002   -0.0001    0.0003   -0.0002    0.0002    0.0002
            Z     0.0002    0.0001    0.0001    0.0001   -0.0002    0.0006
 AT.  49 CA X     0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000
            Y     0.0000    0.0000   -0.0002    0.0000   -0.0001   -0.0001
            Z     0.0002    0.0000    0.0000   -0.0001    0.0000    0.0000
 AT.  50 CA X     0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
            Y     0.0000    0.0000    0.0002    0.0000   -0.0001   -0.0001
            Z    -0.0002    0.0000    0.0000   -0.0001    0.0000    0.0000
 AT.  51 CA X     0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
            Y     0.0000    0.0000   -0.0002    0.0000    0.0001   -0.0001
            Z     0.0002    0.0000    0.0000    0.0001    0.0000    0.0000
 AT.  52 CA X     0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000
            Y     0.0000    0.0000    0.0002    0.0000    0.0001   -0.0001
            Z    -0.0002    0.0000    0.0000    0.0001    0.0000    0.0000
 AT.  53 O  X     0.0013    0.0013    0.0009   -0.0011   -0.0012   -0.0011
            Y     0.0037    0.0039    0.0019   -0.0039   -0.0042   -0.0008
            Z     0.0003   -0.0005    0.0004    0.0004    0.0004   -0.0017
 AT.  54 O  X     0.0013   -0.0013   -0.0009    0.0011   -0.0012   -0.0011
            Y     0.0037   -0.0039   -0.0019    0.0039   -0.0042   -0.0008
            Z    -0.0003   -0.0005    0.0004    0.0004   -0.0004    0.0017
 AT.  55 O  X     0.0013    0.0013    0.0009    0.0011    0.0012    0.0011
            Y    -0.0037   -0.0039   -0.0019   -0.0039   -0.0042   -0.0008
            Z    -0.0003    0.0005   -0.0004    0.0004    0.0004   -0.0017
 AT.  56 O  X     0.0013   -0.0013   -0.0009   -0.0011    0.0012    0.0011
            Y    -0.0037    0.0039    0.0019    0.0039   -0.0042   -0.0008
            Z     0.0003    0.0005   -0.0004    0.0004   -0.0004    0.0017
 AT.  57 O  X     0.0013   -0.0013    0.0009    0.0011    0.0012   -0.0011
            Y     0.0037   -0.0039    0.0019    0.0039    0.0042   -0.0008
            Z     0.0003    0.0005    0.0004   -0.0004   -0.0004   -0.0017
 AT.  58 O  X     0.0013    0.0013   -0.0009   -0.0011    0.0012   -0.0011
            Y     0.0037    0.0039   -0.0019   -0.0039    0.0042   -0.0008
            Z    -0.0003    0.0005    0.0004   -0.0004    0.0004    0.0017
 AT.  59 O  X     0.0013   -0.0013    0.0009   -0.0011   -0.0012    0.0011
            Y    -0.0037    0.0039   -0.0019    0.0039    0.0042   -0.0008
            Z    -0.0003   -0.0005   -0.0004   -0.0004   -0.0004   -0.0017
 AT.  60 O  X     0.0013    0.0013   -0.0009    0.0011   -0.0012    0.0011
            Y    -0.0037   -0.0039    0.0019   -0.0039    0.0042   -0.0008
            Z     0.0003   -0.0005   -0.0004   -0.0004    0.0004    0.0017
 AT.  61 O  X     0.0021    0.0028    0.0021   -0.0026   -0.0026    0.0005
            Y    -0.0035   -0.0045   -0.0037    0.0046    0.0044   -0.0007
            Z    -0.0051   -0.0070   -0.0047    0.0073    0.0071   -0.0015
 AT.  62 O  X     0.0021   -0.0028   -0.0021    0.0026   -0.0026    0.0005
            Y    -0.0035    0.0045    0.0037   -0.0046    0.0044   -0.0007
            Z     0.0051   -0.0070   -0.0047    0.0073   -0.0071    0.0015
 AT.  63 O  X     0.0021    0.0028    0.0021    0.0026    0.0026   -0.0005
            Y     0.0035    0.0045    0.0037    0.0046    0.0044   -0.0007
            Z     0.0051    0.0070    0.0047    0.0073    0.0071   -0.0015
 AT.  64 O  X     0.0021   -0.0028   -0.0021   -0.0026    0.0026   -0.0005
            Y     0.0035   -0.0045   -0.0037   -0.0046    0.0044   -0.0007
            Z    -0.0051    0.0070    0.0047    0.0073   -0.0071    0.0015
 AT.  65 O  X     0.0021   -0.0028    0.0021    0.0026    0.0026    0.0005
            Y    -0.0035    0.0045   -0.0037   -0.0046   -0.0044   -0.0007
            Z    -0.0051    0.0070   -0.0047   -0.0073   -0.0071   -0.0015
 AT.  66 O  X     0.0021    0.0028   -0.0021   -0.0026    0.0026    0.0005
            Y    -0.0035   -0.0045    0.0037    0.0046   -0.0044   -0.0007
            Z     0.0051    0.0070   -0.0047   -0.0073    0.0071    0.0015
 AT.  67 O  X     0.0021   -0.0028    0.0021   -0.0026   -0.0026   -0.0005
            Y     0.0035   -0.0045    0.0037   -0.0046   -0.0044   -0.0007
            Z     0.0051   -0.0070    0.0047   -0.0073   -0.0071   -0.0015
 AT.  68 O  X     0.0021    0.0028   -0.0021    0.0026   -0.0026   -0.0005
            Y     0.0035    0.0045   -0.0037    0.0046   -0.0044   -0.0007
            Z    -0.0051   -0.0070    0.0047   -0.0073    0.0071    0.0015
 AT.  69 O  X     0.0029    0.0021    0.0032   -0.0024   -0.0024   -0.0041
            Y    -0.0037   -0.0032   -0.0045    0.0039    0.0039    0.0054
            Z     0.0071    0.0051    0.0081   -0.0061   -0.0062   -0.0128
 AT.  70 O  X     0.0029   -0.0021   -0.0032    0.0024   -0.0024   -0.0041
            Y    -0.0037    0.0032    0.0045   -0.0039    0.0039    0.0054
            Z    -0.0071    0.0051    0.0081   -0.0061    0.0062    0.0128
 AT.  71 O  X     0.0029    0.0021    0.0032    0.0024    0.0024    0.0041
            Y     0.0037    0.0032    0.0045    0.0039    0.0039    0.0054
            Z    -0.0071   -0.0051   -0.0081   -0.0061   -0.0062   -0.0128
 AT.  72 O  X     0.0029   -0.0021   -0.0032   -0.0024    0.0024    0.0041
            Y     0.0037   -0.0032   -0.0045   -0.0039    0.0039    0.0054
            Z     0.0071   -0.0051   -0.0081   -0.0061    0.0062    0.0128
 AT.  73 O  X     0.0029   -0.0021    0.0032    0.0024    0.0024   -0.0041
            Y    -0.0037    0.0032   -0.0045   -0.0039   -0.0039    0.0054
            Z     0.0071   -0.0051    0.0081    0.0061    0.0062   -0.0128
 AT.  74 O  X     0.0029    0.0021   -0.0032   -0.0024    0.0024   -0.0041
            Y    -0.0037   -0.0032    0.0045    0.0039   -0.0039    0.0054
            Z    -0.0071   -0.0051    0.0081    0.0061   -0.0062    0.0128
 AT.  75 O  X     0.0029   -0.0021    0.0032   -0.0024   -0.0024    0.0041
            Y     0.0037   -0.0032    0.0045   -0.0039   -0.0039    0.0054
            Z    -0.0071    0.0051   -0.0081    0.0061    0.0062   -0.0128
 AT.  76 O  X     0.0029    0.0021   -0.0032    0.0024   -0.0024    0.0041
            Y     0.0037    0.0032   -0.0045    0.0039   -0.0039    0.0054
            Z     0.0071    0.0051   -0.0081    0.0061   -0.0062    0.0128
 AT.  77 O  X     0.0198    0.0198    0.0192   -0.0194   -0.0196   -0.0130
            Y    -0.0005   -0.0006   -0.0009    0.0005    0.0004    0.0001
            Z     0.0008    0.0002    0.0010    0.0000    0.0000   -0.0020
 AT.  78 O  X     0.0198   -0.0198   -0.0192    0.0194   -0.0196   -0.0130
            Y    -0.0005    0.0006    0.0009   -0.0005    0.0004    0.0001
            Z    -0.0008    0.0002    0.0010    0.0000    0.0000    0.0020
 AT.  79 O  X     0.0198    0.0198    0.0192    0.0194    0.0196    0.0130
            Y     0.0005    0.0006    0.0009    0.0005    0.0004    0.0001
            Z    -0.0008   -0.0002   -0.0010    0.0000    0.0000   -0.0020
 AT.  80 O  X     0.0198   -0.0198   -0.0192   -0.0194    0.0196    0.0130
            Y     0.0005   -0.0006   -0.0009   -0.0005    0.0004    0.0001
            Z     0.0008   -0.0002   -0.0010    0.0000    0.0000    0.0020
 AT.  81 O  X     0.0198   -0.0198    0.0192    0.0194    0.0196   -0.0130
            Y    -0.0005    0.0006   -0.0009   -0.0005   -0.0004    0.0001
            Z     0.0008   -0.0002    0.0010    0.0000    0.0000   -0.0020
 AT.  82 O  X     0.0198    0.0198   -0.0192   -0.0194    0.0196   -0.0130
            Y    -0.0005   -0.0006    0.0009    0.0005   -0.0004    0.0001
            Z    -0.0008   -0.0002    0.0010    0.0000    0.0000    0.0020
 AT.  83 O  X     0.0198   -0.0198    0.0192   -0.0194   -0.0196    0.0130
            Y     0.0005   -0.0006    0.0009   -0.0005   -0.0004    0.0001
            Z    -0.0008    0.0002   -0.0010    0.0000    0.0000   -0.0020
 AT.  84 O  X     0.0198    0.0198   -0.0192    0.0194   -0.0196    0.0130
            Y     0.0005    0.0006   -0.0009    0.0005   -0.0004    0.0001
            Z     0.0008    0.0002   -0.0010    0.0000    0.0000    0.0020
 AT.  85 O  X    -0.0005   -0.0008   -0.0002   -0.0007   -0.0006   -0.0030
            Y     0.0011    0.0014    0.0008    0.0003    0.0002    0.0034
            Z     0.0011    0.0019    0.0004    0.0010    0.0009    0.0064
 AT.  86 O  X    -0.0005    0.0008    0.0002    0.0007   -0.0006   -0.0030
            Y     0.0011   -0.0014   -0.0008   -0.0003    0.0002    0.0034
            Z    -0.0011    0.0019    0.0004    0.0010   -0.0009   -0.0064
 AT.  87 O  X    -0.0005   -0.0008   -0.0002    0.0007    0.0006    0.0030
            Y    -0.0011   -0.0014   -0.0008    0.0003    0.0002    0.0034
            Z    -0.0011   -0.0019   -0.0004    0.0010    0.0009    0.0064
 AT.  88 O  X    -0.0005    0.0008    0.0002   -0.0007    0.0006    0.0030
            Y    -0.0011    0.0014    0.0008   -0.0003    0.0002    0.0034
            Z     0.0011   -0.0019   -0.0004    0.0010   -0.0009   -0.0064
 AT.  89 O  X    -0.0005    0.0008   -0.0002    0.0007    0.0006   -0.0030
            Y     0.0011   -0.0014    0.0008   -0.0003   -0.0002    0.0034
            Z     0.0011   -0.0019    0.0004   -0.0010   -0.0009    0.0064
 AT.  90 O  X    -0.0005   -0.0008    0.0002   -0.0007    0.0006   -0.0030
            Y     0.0011    0.0014   -0.0008    0.0003   -0.0002    0.0034
            Z    -0.0011   -0.0019    0.0004   -0.0010    0.0009   -0.0064
 AT.  91 O  X    -0.0005    0.0008   -0.0002   -0.0007   -0.0006    0.0030
            Y    -0.0011    0.0014   -0.0008   -0.0003   -0.0002    0.0034
            Z    -0.0011    0.0019   -0.0004   -0.0010   -0.0009    0.0064
 AT.  92 O  X    -0.0005   -0.0008    0.0002    0.0007   -0.0006    0.0030
            Y    -0.0011   -0.0014    0.0008    0.0003   -0.0002    0.0034
            Z     0.0011    0.0019   -0.0004   -0.0010    0.0009   -0.0064
 AT.  93 O  X     0.0009    0.0012    0.0008    0.0002    0.0000    0.0029
            Y     0.0019    0.0025    0.0014    0.0014    0.0006    0.0078
            Z     0.0000    0.0002    0.0000    0.0004    0.0003    0.0018
 AT.  94 O  X     0.0009   -0.0012   -0.0008   -0.0002    0.0000    0.0029
            Y     0.0019   -0.0025   -0.0014   -0.0014    0.0006    0.0078
            Z     0.0000    0.0002    0.0000    0.0004   -0.0003   -0.0018
 AT.  95 O  X     0.0009    0.0012    0.0008   -0.0002    0.0000   -0.0029
            Y    -0.0019   -0.0025   -0.0014    0.0014    0.0006    0.0078
            Z     0.0000   -0.0002    0.0000    0.0004    0.0003    0.0018
 AT.  96 O  X     0.0009   -0.0012   -0.0008    0.0002    0.0000   -0.0029
            Y    -0.0019    0.0025    0.0014   -0.0014    0.0006    0.0078
            Z     0.0000   -0.0002    0.0000    0.0004   -0.0003   -0.0018
 AT.  97 O  X     0.0009   -0.0012    0.0008   -0.0002    0.0000    0.0029
            Y     0.0019   -0.0025    0.0014   -0.0014   -0.0006    0.0078
            Z     0.0000   -0.0002    0.0000   -0.0004   -0.0003    0.0018
 AT.  98 O  X     0.0009    0.0012   -0.0008    0.0002    0.0000    0.0029
            Y     0.0019    0.0025   -0.0014    0.0014   -0.0006    0.0078
            Z     0.0000   -0.0002    0.0000   -0.0004    0.0003   -0.0018
 AT.  99 O  X     0.0009   -0.0012    0.0008    0.0002    0.0000   -0.0029
            Y    -0.0019    0.0025   -0.0014   -0.0014   -0.0006    0.0078
            Z     0.0000    0.0002    0.0000   -0.0004   -0.0003    0.0018
 AT. 100 O  X     0.0009    0.0012   -0.0008   -0.0002    0.0000   -0.0029
            Y    -0.0019   -0.0025    0.0014    0.0014   -0.0006    0.0078
            Z     0.0000    0.0002    0.0000   -0.0004    0.0003   -0.0018
 AT. 101 O  X     0.0002    0.0000    0.0007   -0.0006   -0.0001   -0.0006
            Y     0.0007    0.0002    0.0025   -0.0010    0.0000   -0.0020
            Z    -0.0008    0.0000   -0.0028    0.0014    0.0002    0.0030
 AT. 102 O  X     0.0002    0.0000   -0.0007    0.0006   -0.0001   -0.0006
            Y     0.0007   -0.0002   -0.0025    0.0010    0.0000   -0.0020
            Z     0.0008    0.0000   -0.0028    0.0014   -0.0002   -0.0030
 AT. 103 O  X     0.0002    0.0000    0.0007    0.0006    0.0001    0.0006
            Y    -0.0007   -0.0002   -0.0025   -0.0010    0.0000   -0.0020
            Z     0.0008    0.0000    0.0028    0.0014    0.0002    0.0030
 AT. 104 O  X     0.0002    0.0000   -0.0007   -0.0006    0.0001    0.0006
            Y    -0.0007    0.0002    0.0025    0.0010    0.0000   -0.0020
            Z    -0.0008    0.0000    0.0028    0.0014   -0.0002   -0.0030
 AT. 105 O  X     0.0002    0.0000    0.0007    0.0006    0.0001   -0.0006
            Y     0.0007   -0.0002    0.0025    0.0010    0.0000   -0.0020
            Z    -0.0008    0.0000   -0.0028   -0.0014   -0.0002    0.0030
 AT. 106 O  X     0.0002    0.0000   -0.0007   -0.0006    0.0001   -0.0006
            Y     0.0007    0.0002   -0.0025   -0.0010    0.0000   -0.0020
            Z     0.0008    0.0000   -0.0028   -0.0014    0.0002   -0.0030
 AT. 107 O  X     0.0002    0.0000    0.0007   -0.0006   -0.0001    0.0006
            Y    -0.0007    0.0002   -0.0025    0.0010    0.0000   -0.0020
            Z     0.0008    0.0000    0.0028   -0.0014   -0.0002    0.0030
 AT. 108 O  X     0.0002    0.0000   -0.0007    0.0006   -0.0001    0.0006
            Y    -0.0007   -0.0002    0.0025   -0.0010    0.0000   -0.0020
            Z    -0.0008    0.0000    0.0028   -0.0014    0.0002   -0.0030
 AT. 109 O  X    -0.0006   -0.0023   -0.0017   -0.0021   -0.0019   -0.0010
            Y     0.0002    0.0004    0.0003    0.0000    0.0000    0.0002
            Z    -0.0002    0.0002   -0.0004    0.0004    0.0003    0.0010
 AT. 110 O  X    -0.0006    0.0023    0.0017    0.0021   -0.0019   -0.0010
            Y     0.0002   -0.0004   -0.0003    0.0000    0.0000    0.0002
            Z     0.0002    0.0002   -0.0004    0.0004   -0.0003   -0.0010
 AT. 111 O  X    -0.0006   -0.0023   -0.0017    0.0021    0.0019    0.0010
            Y    -0.0002   -0.0004   -0.0003    0.0000    0.0000    0.0002
            Z     0.0002   -0.0002    0.0004    0.0004    0.0003    0.0010
 AT. 112 O  X    -0.0006    0.0023    0.0017   -0.0021    0.0019    0.0010
            Y    -0.0002    0.0004    0.0003    0.0000    0.0000    0.0002
            Z    -0.0002   -0.0002    0.0004    0.0004   -0.0003   -0.0010
 AT. 113 O  X    -0.0006    0.0023   -0.0017    0.0021    0.0019   -0.0010
            Y     0.0002   -0.0004    0.0003    0.0000    0.0000    0.0002
            Z    -0.0002   -0.0002   -0.0004   -0.0004   -0.0003    0.0010
 AT. 114 O  X    -0.0006   -0.0023    0.0017   -0.0021    0.0019   -0.0010
            Y     0.0002    0.0004   -0.0003    0.0000    0.0000    0.0002
            Z     0.0002   -0.0002   -0.0004   -0.0004    0.0003   -0.0010
 AT. 115 O  X    -0.0006    0.0023   -0.0017   -0.0021   -0.0019    0.0010
            Y    -0.0002    0.0004   -0.0003    0.0000    0.0000    0.0002
            Z     0.0002    0.0002    0.0004   -0.0004   -0.0003    0.0010
 AT. 116 O  X    -0.0006   -0.0023    0.0017    0.0021   -0.0019    0.0010
            Y    -0.0002   -0.0004    0.0003    0.0000    0.0000    0.0002
            Z    -0.0002    0.0002    0.0004   -0.0004    0.0003   -0.0010
 AT. 117 O  X    -0.0002    0.0000   -0.0019   -0.0006    0.0000    0.0014
            Y     0.0001   -0.0004   -0.0013   -0.0007   -0.0002    0.0006
            Z     0.0000    0.0001   -0.0021   -0.0004    0.0000    0.0017
 AT. 118 O  X    -0.0002    0.0000    0.0019    0.0006    0.0000    0.0014
            Y     0.0001    0.0004    0.0013    0.0007   -0.0002    0.0006
            Z     0.0000    0.0001   -0.0021   -0.0004    0.0000   -0.0017
 AT. 119 O  X    -0.0002    0.0000   -0.0019    0.0006    0.0000   -0.0014
            Y    -0.0001    0.0004    0.0013   -0.0007   -0.0002    0.0006
            Z     0.0000   -0.0001    0.0021   -0.0004    0.0000    0.0017
 AT. 120 O  X    -0.0002    0.0000    0.0019   -0.0006    0.0000   -0.0014
            Y    -0.0001   -0.0004   -0.0013    0.0007   -0.0002    0.0006
            Z     0.0000   -0.0001    0.0021   -0.0004    0.0000   -0.0017
 AT. 121 O  X    -0.0002    0.0000   -0.0019    0.0006    0.0000    0.0014
            Y     0.0001    0.0004   -0.0013    0.0007    0.0002    0.0006
            Z     0.0000   -0.0001   -0.0021    0.0004    0.0000    0.0017
 AT. 122 O  X    -0.0002    0.0000    0.0019   -0.0006    0.0000    0.0014
            Y     0.0001   -0.0004    0.0013   -0.0007    0.0002    0.0006
            Z     0.0000   -0.0001   -0.0021    0.0004    0.0000   -0.0017
 AT. 123 O  X    -0.0002    0.0000   -0.0019   -0.0006    0.0000   -0.0014
            Y    -0.0001   -0.0004    0.0013    0.0007    0.0002    0.0006
            Z     0.0000    0.0001    0.0021    0.0004    0.0000    0.0017
 AT. 124 O  X    -0.0002    0.0000    0.0019    0.0006    0.0000   -0.0014
            Y    -0.0001    0.0004   -0.0013   -0.0007    0.0002    0.0006
            Z     0.0000    0.0001    0.0021    0.0004    0.0000   -0.0017

 FREQ(CM**-1)    940.21    951.45    951.49    951.88    955.24    955.61

 AT.   1 SI X    -0.0092   -0.0016   -0.0026   -0.0021    0.0015   -0.0018
            Y     0.0021    0.0012   -0.0037    0.0014    0.0000   -0.0029
            Z    -0.0054    0.0052   -0.0043    0.0056    0.0095   -0.0034
 AT.   2 SI X     0.0092    0.0016    0.0026   -0.0021    0.0015   -0.0018
            Y    -0.0021   -0.0012    0.0037    0.0014    0.0000   -0.0029
            Z    -0.0054    0.0052   -0.0043   -0.0056   -0.0095    0.0034
 AT.   3 SI X     0.0092   -0.0016    0.0026   -0.0021   -0.0015    0.0018
            Y     0.0021   -0.0012   -0.0037   -0.0014    0.0000   -0.0029
            Z    -0.0054   -0.0052   -0.0043   -0.0056    0.0095   -0.0034
 AT.   4 SI X    -0.0092    0.0016   -0.0026   -0.0021   -0.0015    0.0018
            Y    -0.0021    0.0012    0.0037   -0.0014    0.0000   -0.0029
            Z    -0.0054   -0.0052   -0.0043    0.0056   -0.0095    0.0034
 AT.   5 SI X    -0.0092    0.0016    0.0026    0.0021    0.0015    0.0018
            Y     0.0021   -0.0012    0.0037   -0.0014    0.0000    0.0029
            Z    -0.0054   -0.0052    0.0043   -0.0056    0.0095    0.0034
 AT.   6 SI X     0.0092   -0.0016   -0.0026    0.0021    0.0015    0.0018
            Y    -0.0021    0.0012   -0.0037   -0.0014    0.0000    0.0029
            Z    -0.0054   -0.0052    0.0043    0.0056   -0.0095   -0.0034
 AT.   7 SI X     0.0092    0.0016   -0.0026    0.0021   -0.0015   -0.0018
            Y     0.0021    0.0012    0.0037    0.0014    0.0000    0.0029
            Z    -0.0054    0.0052    0.0043    0.0056    0.0095    0.0034
 AT.   8 SI X    -0.0092   -0.0016    0.0026    0.0021   -0.0015   -0.0018
            Y    -0.0021   -0.0012   -0.0037    0.0014    0.0000    0.0029
            Z    -0.0054    0.0052    0.0043   -0.0056   -0.0095   -0.0034
 AT.   9 SI X    -0.0010    0.0024    0.0060    0.0011    0.0041    0.0103
            Y     0.0086    0.0103   -0.0098    0.0105    0.0084   -0.0075
            Z     0.0070    0.0093   -0.0076    0.0086    0.0070   -0.0053
 AT.  10 SI X     0.0010   -0.0024   -0.0060    0.0011    0.0041    0.0103
            Y    -0.0086   -0.0103    0.0098    0.0105    0.0084   -0.0075
            Z     0.0070    0.0093   -0.0076   -0.0086   -0.0070    0.0053
 AT.  11 SI X     0.0010    0.0024   -0.0060    0.0011   -0.0041   -0.0103
            Y     0.0086   -0.0103   -0.0098   -0.0105    0.0084   -0.0075
            Z     0.0070   -0.0093   -0.0076   -0.0086    0.0070   -0.0053
 AT.  12 SI X    -0.0010   -0.0024    0.0060    0.0011   -0.0041   -0.0103
            Y    -0.0086    0.0103    0.0098   -0.0105    0.0084   -0.0075
            Z     0.0070   -0.0093   -0.0076    0.0086   -0.0070    0.0053
 AT.  13 SI X    -0.0010   -0.0024   -0.0060   -0.0011    0.0041   -0.0103
            Y     0.0086   -0.0103    0.0098   -0.0105    0.0084    0.0075
            Z     0.0070   -0.0093    0.0076   -0.0086    0.0070    0.0053
 AT.  14 SI X     0.0010    0.0024    0.0060   -0.0011    0.0041   -0.0103
            Y    -0.0086    0.0103   -0.0098   -0.0105    0.0084    0.0075
            Z     0.0070   -0.0093    0.0076    0.0086   -0.0070   -0.0053
 AT.  15 SI X     0.0010   -0.0024    0.0060   -0.0011   -0.0041    0.0103
            Y     0.0086    0.0103    0.0098    0.0105    0.0084    0.0075
            Z     0.0070    0.0093    0.0076    0.0086    0.0070    0.0053
 AT.  16 SI X    -0.0010    0.0024   -0.0060   -0.0011   -0.0041    0.0103
            Y    -0.0086   -0.0103   -0.0098    0.0105    0.0084    0.0075
            Z     0.0070    0.0093    0.0076   -0.0086   -0.0070   -0.0053
 AT.  17 SI X    -0.0038    0.0000    0.0062   -0.0048    0.0000    0.0000
            Y     0.0000    0.0017    0.0000    0.0000    0.0029    0.0069
            Z     0.0007    0.0000    0.0025   -0.0001    0.0000    0.0000
 AT.  18 SI X     0.0038    0.0000   -0.0062   -0.0048    0.0000    0.0000
            Y     0.0000   -0.0017    0.0000    0.0000    0.0029    0.0069
            Z     0.0007    0.0000    0.0025    0.0001    0.0000    0.0000
 AT.  19 SI X    -0.0038    0.0000   -0.0062    0.0048    0.0000    0.0000
            Y     0.0000   -0.0017    0.0000    0.0000    0.0029   -0.0069
            Z     0.0007    0.0000   -0.0025    0.0001    0.0000    0.0000
 AT.  20 SI X     0.0038    0.0000    0.0062    0.0048    0.0000    0.0000
            Y     0.0000    0.0017    0.0000    0.0000    0.0029   -0.0069
            Z     0.0007    0.0000   -0.0025   -0.0001    0.0000    0.0000
 AT.  21 CA X    -0.0004   -0.0001    0.0001   -0.0001    0.0000    0.0001
            Y    -0.0001   -0.0001    0.0001   -0.0001    0.0000    0.0000
            Z    -0.0008    0.0006    0.0006    0.0006    0.0011    0.0005
 AT.  22 CA X     0.0004    0.0001   -0.0001   -0.0001    0.0000    0.0001
            Y     0.0001    0.0001   -0.0001   -0.0001    0.0000    0.0000
            Z    -0.0008    0.0006    0.0006   -0.0006   -0.0011   -0.0005
 AT.  23 CA X     0.0004   -0.0001   -0.0001   -0.0001    0.0000   -0.0001
            Y    -0.0001    0.0001    0.0001    0.0001    0.0000    0.0000
            Z    -0.0008   -0.0006    0.0006   -0.0006    0.0011    0.0005
 AT.  24 CA X    -0.0004    0.0001    0.0001   -0.0001    0.0000   -0.0001
            Y     0.0001   -0.0001   -0.0001    0.0001    0.0000    0.0000
            Z    -0.0008   -0.0006    0.0006    0.0006   -0.0011   -0.0005
 AT.  25 CA X    -0.0004    0.0001   -0.0001    0.0001    0.0000   -0.0001
            Y    -0.0001    0.0001   -0.0001    0.0001    0.0000    0.0000
            Z    -0.0008   -0.0006   -0.0006   -0.0006    0.0011   -0.0005
 AT.  26 CA X     0.0004   -0.0001    0.0001    0.0001    0.0000   -0.0001
            Y     0.0001   -0.0001    0.0001    0.0001    0.0000    0.0000
            Z    -0.0008   -0.0006   -0.0006    0.0006   -0.0011    0.0005
 AT.  27 CA X     0.0004    0.0001    0.0001    0.0001    0.0000    0.0001
            Y    -0.0001   -0.0001   -0.0001   -0.0001    0.0000    0.0000
            Z    -0.0008    0.0006   -0.0006    0.0006    0.0011   -0.0005
 AT.  28 CA X    -0.0004   -0.0001   -0.0001    0.0001    0.0000    0.0001
            Y     0.0001    0.0001    0.0001   -0.0001    0.0000    0.0000
            Z    -0.0008    0.0006   -0.0006   -0.0006   -0.0011    0.0005
 AT.  29 CA X     0.0005    0.0000    0.0000    0.0000   -0.0002    0.0000
            Y     0.0002    0.0000    0.0000    0.0000   -0.0001    0.0000
            Z    -0.0009    0.0000    0.0000    0.0000    0.0010    0.0000
 AT.  30 CA X    -0.0005    0.0000    0.0000    0.0000   -0.0002    0.0000
            Y    -0.0002    0.0000    0.0000    0.0000   -0.0001    0.0000
            Z    -0.0009    0.0000    0.0000    0.0000   -0.0010    0.0000
 AT.  31 CA X    -0.0005    0.0000    0.0000    0.0000    0.0002    0.0000
            Y     0.0002    0.0000    0.0000    0.0000   -0.0001    0.0000
            Z    -0.0009    0.0000    0.0000    0.0000    0.0010    0.0000
 AT.  32 CA X     0.0005    0.0000    0.0000    0.0000    0.0002    0.0000
            Y    -0.0002    0.0000    0.0000    0.0000   -0.0001    0.0000
            Z    -0.0009    0.0000    0.0000    0.0000   -0.0010    0.0000
 AT.  33 CA X     0.0002    0.0000   -0.0001    0.0000   -0.0001   -0.0002
            Y     0.0002    0.0003   -0.0010    0.0003    0.0002   -0.0009
            Z     0.0004    0.0011   -0.0002    0.0011    0.0011   -0.0001
 AT.  34 CA X    -0.0002    0.0000    0.0001    0.0000   -0.0001   -0.0002
            Y    -0.0002   -0.0003    0.0010    0.0003    0.0002   -0.0009
            Z     0.0004    0.0011   -0.0002   -0.0011   -0.0011    0.0001
 AT.  35 CA X    -0.0002    0.0000    0.0001    0.0000    0.0001    0.0002
            Y     0.0002   -0.0003   -0.0010   -0.0003    0.0002   -0.0009
            Z     0.0004   -0.0011   -0.0002   -0.0011    0.0011   -0.0001
 AT.  36 CA X     0.0002    0.0000   -0.0001    0.0000    0.0001    0.0002
            Y    -0.0002    0.0003    0.0010   -0.0003    0.0002   -0.0009
            Z     0.0004   -0.0011   -0.0002    0.0011   -0.0011    0.0001
 AT.  37 CA X     0.0002    0.0000    0.0001    0.0000   -0.0001    0.0002
            Y     0.0002   -0.0003    0.0010   -0.0003    0.0002    0.0009
            Z     0.0004   -0.0011    0.0002   -0.0011    0.0011    0.0001
 AT.  38 CA X    -0.0002    0.0000   -0.0001    0.0000   -0.0001    0.0002
            Y    -0.0002    0.0003   -0.0010   -0.0003    0.0002    0.0009
            Z     0.0004   -0.0011    0.0002    0.0011   -0.0011   -0.0001
 AT.  39 CA X    -0.0002    0.0000   -0.0001    0.0000    0.0001   -0.0002
            Y     0.0002    0.0003    0.0010    0.0003    0.0002    0.0009
            Z     0.0004    0.0011    0.0002    0.0011    0.0011    0.0001
 AT.  40 CA X     0.0002    0.0000    0.0001    0.0000    0.0001   -0.0002
            Y    -0.0002   -0.0003   -0.0010    0.0003    0.0002    0.0009
            Z     0.0004    0.0011    0.0002   -0.0011   -0.0011   -0.0001
 AT.  41 CA X    -0.0003   -0.0002   -0.0003   -0.0001   -0.0001   -0.0001
            Y    -0.0003   -0.0003   -0.0002   -0.0003   -0.0003   -0.0002
            Z     0.0006    0.0012    0.0004    0.0009    0.0010    0.0000
 AT.  42 CA X     0.0003    0.0002    0.0003   -0.0001   -0.0001   -0.0001
            Y     0.0003    0.0003    0.0002   -0.0003   -0.0003   -0.0002
            Z     0.0006    0.0012    0.0004   -0.0009   -0.0010    0.0000
 AT.  43 CA X     0.0003   -0.0002    0.0003   -0.0001    0.0001    0.0001
            Y    -0.0003    0.0003   -0.0002    0.0003   -0.0003   -0.0002
            Z     0.0006   -0.0012    0.0004   -0.0009    0.0010    0.0000
 AT.  44 CA X    -0.0003    0.0002   -0.0003   -0.0001    0.0001    0.0001
            Y     0.0003   -0.0003    0.0002    0.0003   -0.0003   -0.0002
            Z     0.0006   -0.0012    0.0004    0.0009   -0.0010    0.0000
 AT.  45 CA X    -0.0003    0.0002    0.0003    0.0001   -0.0001    0.0001
            Y    -0.0003    0.0003    0.0002    0.0003   -0.0003    0.0002
            Z     0.0006   -0.0012   -0.0004   -0.0009    0.0010    0.0000
 AT.  46 CA X     0.0003   -0.0002   -0.0003    0.0001   -0.0001    0.0001
            Y     0.0003   -0.0003   -0.0002    0.0003   -0.0003    0.0002
            Z     0.0006   -0.0012   -0.0004    0.0009   -0.0010    0.0000
 AT.  47 CA X     0.0003    0.0002   -0.0003    0.0001    0.0001   -0.0001
            Y    -0.0003   -0.0003    0.0002   -0.0003   -0.0003    0.0002
            Z     0.0006    0.0012   -0.0004    0.0009    0.0010    0.0000
 AT.  48 CA X    -0.0003   -0.0002    0.0003    0.0001    0.0001   -0.0001
            Y     0.0003    0.0003   -0.0002   -0.0003   -0.0003    0.0002
            Z     0.0006    0.0012   -0.0004   -0.0009   -0.0010    0.0000
 AT.  49 CA X     0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000
            Y     0.0000    0.0002    0.0000    0.0000    0.0001   -0.0006
            Z     0.0001    0.0000    0.0003    0.0001    0.0000    0.0000
 AT.  50 CA X     0.0000    0.0000    0.0000   -0.0001    0.0000    0.0000
            Y     0.0000   -0.0002    0.0000    0.0000    0.0001   -0.0006
            Z     0.0001    0.0000    0.0003   -0.0001    0.0000    0.0000
 AT.  51 CA X     0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
            Y     0.0000   -0.0002    0.0000    0.0000    0.0001    0.0006
            Z     0.0001    0.0000   -0.0003   -0.0001    0.0000    0.0000
 AT.  52 CA X     0.0000    0.0000    0.0000    0.0001    0.0000    0.0000
            Y     0.0000    0.0002    0.0000    0.0000    0.0001    0.0006
            Z     0.0001    0.0000   -0.0003    0.0001    0.0000    0.0000
 AT.  53 O  X     0.0009    0.0003    0.0010    0.0003   -0.0001    0.0008
            Y     0.0004   -0.0005    0.0049   -0.0005   -0.0001    0.0038
            Z     0.0011   -0.0013    0.0002   -0.0013   -0.0022    0.0002
 AT.  54 O  X    -0.0009   -0.0003   -0.0010    0.0003   -0.0001    0.0008
            Y    -0.0004    0.0005   -0.0049   -0.0005   -0.0001    0.0038
            Z     0.0011   -0.0013    0.0002    0.0013    0.0022   -0.0002
 AT.  55 O  X    -0.0009    0.0003   -0.0010    0.0003    0.0001   -0.0008
            Y     0.0004    0.0005    0.0049    0.0005   -0.0001    0.0038
            Z     0.0011    0.0013    0.0002    0.0013   -0.0022    0.0002
 AT.  56 O  X     0.0009   -0.0003    0.0010    0.0003    0.0001   -0.0008
            Y    -0.0004   -0.0005   -0.0049    0.0005   -0.0001    0.0038
            Z     0.0011    0.0013    0.0002   -0.0013    0.0022   -0.0002
 AT.  57 O  X     0.0009   -0.0003   -0.0010   -0.0003   -0.0001   -0.0008
            Y     0.0004    0.0005   -0.0049    0.0005   -0.0001   -0.0038
            Z     0.0011    0.0013   -0.0002    0.0013   -0.0022   -0.0002
 AT.  58 O  X    -0.0009    0.0003    0.0010   -0.0003   -0.0001   -0.0008
            Y    -0.0004   -0.0005    0.0049    0.0005   -0.0001   -0.0038
            Z     0.0011    0.0013   -0.0002   -0.0013    0.0022    0.0002
 AT.  59 O  X    -0.0009   -0.0003    0.0010   -0.0003    0.0001    0.0008
            Y     0.0004   -0.0005   -0.0049   -0.0005   -0.0001   -0.0038
            Z     0.0011   -0.0013   -0.0002   -0.0013   -0.0022   -0.0002
 AT.  60 O  X     0.0009    0.0003   -0.0010   -0.0003    0.0001    0.0008
            Y    -0.0004    0.0005    0.0049   -0.0005   -0.0001   -0.0038
            Z     0.0011   -0.0013   -0.0002    0.0013    0.0022    0.0002
 AT.  61 O  X     0.0000    0.0017   -0.0013    0.0019    0.0022   -0.0011
            Y     0.0000   -0.0026    0.0033   -0.0029   -0.0034    0.0026
            Z    -0.0004   -0.0070    0.0041   -0.0076   -0.0085    0.0033
 AT.  62 O  X     0.0000   -0.0017    0.0013    0.0019    0.0022   -0.0011
            Y     0.0000    0.0026   -0.0033   -0.0029   -0.0034    0.0026
            Z    -0.0004   -0.0070    0.0041    0.0076    0.0085   -0.0033
 AT.  63 O  X     0.0000    0.0017    0.0013    0.0019   -0.0022    0.0011
            Y     0.0000    0.0026    0.0033    0.0029   -0.0034    0.0026
            Z    -0.0004    0.0070    0.0041    0.0076   -0.0085    0.0033
 AT.  64 O  X     0.0000   -0.0017   -0.0013    0.0019   -0.0022    0.0011
            Y     0.0000   -0.0026   -0.0033    0.0029   -0.0034    0.0026
            Z    -0.0004    0.0070    0.0041   -0.0076    0.0085   -0.0033
 AT.  65 O  X     0.0000   -0.0017    0.0013   -0.0019    0.0022    0.0011
            Y     0.0000    0.0026   -0.0033    0.0029   -0.0034   -0.0026
            Z    -0.0004    0.0070   -0.0041    0.0076   -0.0085   -0.0033
 AT.  66 O  X     0.0000    0.0017   -0.0013   -0.0019    0.0022    0.0011
            Y     0.0000   -0.0026    0.0033    0.0029   -0.0034   -0.0026
            Z    -0.0004    0.0070   -0.0041   -0.0076    0.0085    0.0033
 AT.  67 O  X     0.0000   -0.0017   -0.0013   -0.0019   -0.0022   -0.0011
            Y     0.0000   -0.0026   -0.0033   -0.0029   -0.0034   -0.0026
            Z    -0.0004   -0.0070   -0.0041   -0.0076   -0.0085   -0.0033
 AT.  68 O  X     0.0000    0.0017    0.0013   -0.0019   -0.0022   -0.0011
            Y     0.0000    0.0026    0.0033   -0.0029   -0.0034   -0.0026
            Z    -0.0004   -0.0070   -0.0041    0.0076    0.0085    0.0033
 AT.  69 O  X     0.0031   -0.0010    0.0008   -0.0010   -0.0027    0.0006
            Y    -0.0041    0.0013   -0.0006    0.0013    0.0037   -0.0004
            Z     0.0096   -0.0027    0.0039   -0.0028   -0.0091    0.0031
 AT.  70 O  X    -0.0031    0.0010   -0.0008   -0.0010   -0.0027    0.0006
            Y     0.0041   -0.0013    0.0006    0.0013    0.0037   -0.0004
            Z     0.0096   -0.0027    0.0039    0.0028    0.0091   -0.0031
 AT.  71 O  X    -0.0031   -0.0010   -0.0008   -0.0010    0.0027   -0.0006
            Y    -0.0041   -0.0013   -0.0006   -0.0013    0.0037   -0.0004
            Z     0.0096    0.0027    0.0039    0.0028   -0.0091    0.0031
 AT.  72 O  X     0.0031    0.0010    0.0008   -0.0010    0.0027   -0.0006
            Y     0.0041    0.0013    0.0006   -0.0013    0.0037   -0.0004
            Z     0.0096    0.0027    0.0039   -0.0028    0.0091   -0.0031
 AT.  73 O  X     0.0031    0.0010   -0.0008    0.0010   -0.0027   -0.0006
            Y    -0.0041   -0.0013    0.0006   -0.0013    0.0037    0.0004
            Z     0.0096    0.0027   -0.0039    0.0028   -0.0091   -0.0031
 AT.  74 O  X    -0.0031   -0.0010    0.0008    0.0010   -0.0027   -0.0006
            Y     0.0041    0.0013   -0.0006   -0.0013    0.0037    0.0004
            Z     0.0096    0.0027   -0.0039   -0.0028    0.0091    0.0031
 AT.  75 O  X    -0.0031    0.0010    0.0008    0.0010    0.0027    0.0006
            Y    -0.0041    0.0013    0.0006    0.0013    0.0037    0.0004
            Z     0.0096   -0.0027   -0.0039   -0.0028   -0.0091   -0.0031
 AT.  76 O  X     0.0031   -0.0010   -0.0008    0.0010    0.0027    0.0006
            Y     0.0041   -0.0013   -0.0006    0.0013    0.0037    0.0004
            Z     0.0096   -0.0027   -0.0039    0.0028    0.0091    0.0031
 AT.  77 O  X     0.0107    0.0014    0.0034    0.0020   -0.0020    0.0024
            Y    -0.0001    0.0000    0.0015    0.0000    0.0000    0.0012
            Z     0.0013   -0.0014    0.0011   -0.0015   -0.0025    0.0009
 AT.  78 O  X    -0.0107   -0.0014   -0.0034    0.0020   -0.0020    0.0024
            Y     0.0001    0.0000   -0.0015    0.0000    0.0000    0.0012
            Z     0.0013   -0.0014    0.0011    0.0015    0.0025   -0.0009
 AT.  79 O  X    -0.0107    0.0014   -0.0034    0.0020    0.0020   -0.0024
            Y    -0.0001    0.0000    0.0015    0.0000    0.0000    0.0012
            Z     0.0013    0.0014    0.0011    0.0015   -0.0025    0.0009
 AT.  80 O  X     0.0107   -0.0014    0.0034    0.0020    0.0020   -0.0024
            Y     0.0001    0.0000   -0.0015    0.0000    0.0000    0.0012
            Z     0.0013    0.0014    0.0011   -0.0015    0.0025   -0.0009
 AT.  81 O  X     0.0107   -0.0014   -0.0034   -0.0020   -0.0020   -0.0024
            Y    -0.0001    0.0000   -0.0015    0.0000    0.0000   -0.0012
            Z     0.0013    0.0014   -0.0011    0.0015   -0.0025   -0.0009
 AT.  82 O  X    -0.0107    0.0014    0.0034   -0.0020   -0.0020   -0.0024
            Y     0.0001    0.0000    0.0015    0.0000    0.0000   -0.0012
            Z     0.0013    0.0014   -0.0011   -0.0015    0.0025    0.0009
 AT.  83 O  X    -0.0107   -0.0014    0.0034   -0.0020    0.0020    0.0024
            Y    -0.0001    0.0000   -0.0015    0.0000    0.0000   -0.0012
            Z     0.0013   -0.0014   -0.0011   -0.0015   -0.0025   -0.0009
 AT.  84 O  X     0.0107    0.0014   -0.0034   -0.0020    0.0020    0.0024
            Y     0.0001    0.0000    0.0015    0.0000    0.0000   -0.0012
            Z     0.0013   -0.0014   -0.0011    0.0015    0.0025    0.0009
 AT.  85 O  X     0.0038    0.0045   -0.0049    0.0043    0.0031   -0.0044
            Y    -0.0044   -0.0054    0.0067   -0.0051   -0.0038    0.0060
            Z    -0.0082   -0.0114    0.0105   -0.0105   -0.0085    0.0091
 AT.  86 O  X    -0.0038   -0.0045    0.0049    0.0043    0.0031   -0.0044
            Y     0.0044    0.0054   -0.0067   -0.0051   -0.0038    0.0060
            Z    -0.0082   -0.0114    0.0105    0.0105    0.0085   -0.0091
 AT.  87 O  X    -0.0038    0.0045    0.0049    0.0043   -0.0031    0.0044
            Y    -0.0044    0.0054    0.0067    0.0051   -0.0038    0.0060
            Z    -0.0082    0.0114    0.0105    0.0105   -0.0085    0.0091
 AT.  88 O  X     0.0038   -0.0045   -0.0049    0.0043   -0.0031    0.0044
            Y     0.0044   -0.0054   -0.0067    0.0051   -0.0038    0.0060
            Z    -0.0082    0.0114    0.0105   -0.0105    0.0085   -0.0091
 AT.  89 O  X     0.0038   -0.0045    0.0049   -0.0043    0.0031    0.0044
            Y    -0.0044    0.0054   -0.0067    0.0051   -0.0038   -0.0060
            Z    -0.0082    0.0114   -0.0105    0.0105   -0.0085   -0.0091
 AT.  90 O  X    -0.0038    0.0045   -0.0049   -0.0043    0.0031    0.0044
            Y     0.0044   -0.0054    0.0067    0.0051   -0.0038   -0.0060
            Z    -0.0082    0.0114   -0.0105   -0.0105    0.0085    0.0091
 AT.  91 O  X    -0.0038   -0.0045   -0.0049   -0.0043   -0.0031   -0.0044
            Y    -0.0044   -0.0054   -0.0067   -0.0051   -0.0038   -0.0060
            Z    -0.0082   -0.0114   -0.0105   -0.0105   -0.0085   -0.0091
 AT.  92 O  X     0.0038    0.0045    0.0049   -0.0043   -0.0031   -0.0044
            Y     0.0044    0.0054    0.0067   -0.0051   -0.0038   -0.0060
            Z    -0.0082   -0.0114   -0.0105    0.0105    0.0085    0.0091
 AT.  93 O  X    -0.0044   -0.0053    0.0041   -0.0053   -0.0046    0.0023
            Y    -0.0122   -0.0142    0.0118   -0.0149   -0.0121    0.0070
            Z    -0.0022   -0.0032    0.0012   -0.0029   -0.0027    0.0006
 AT.  94 O  X     0.0044    0.0053   -0.0041   -0.0053   -0.0046    0.0023
            Y     0.0122    0.0142   -0.0118   -0.0149   -0.0121    0.0070
            Z    -0.0022   -0.0032    0.0012    0.0029    0.0027   -0.0006
 AT.  95 O  X     0.0044   -0.0053   -0.0041   -0.0053    0.0046   -0.0023
            Y    -0.0122    0.0142    0.0118    0.0149   -0.0121    0.0070
            Z    -0.0022    0.0032    0.0012    0.0029   -0.0027    0.0006
 AT.  96 O  X    -0.0044    0.0053    0.0041   -0.0053    0.0046   -0.0023
            Y     0.0122   -0.0142   -0.0118    0.0149   -0.0121    0.0070
            Z    -0.0022    0.0032    0.0012   -0.0029    0.0027   -0.0006
 AT.  97 O  X    -0.0044    0.0053   -0.0041    0.0053   -0.0046   -0.0023
            Y    -0.0122    0.0142   -0.0118    0.0149   -0.0121   -0.0070
            Z    -0.0022    0.0032   -0.0012    0.0029   -0.0027   -0.0006
 AT.  98 O  X     0.0044   -0.0053    0.0041    0.0053   -0.0046   -0.0023
            Y     0.0122   -0.0142    0.0118    0.0149   -0.0121   -0.0070
            Z    -0.0022    0.0032   -0.0012   -0.0029    0.0027    0.0006
 AT.  99 O  X     0.0044    0.0053    0.0041    0.0053    0.0046    0.0023
            Y    -0.0122   -0.0142   -0.0118   -0.0149   -0.0121   -0.0070
            Z    -0.0022   -0.0032   -0.0012   -0.0029   -0.0027   -0.0006
 AT. 100 O  X    -0.0044   -0.0053   -0.0041    0.0053    0.0046    0.0023
            Y     0.0122    0.0142    0.0118   -0.0149   -0.0121   -0.0070
            Z    -0.0022   -0.0032   -0.0012    0.0029    0.0027    0.0006
 AT. 101 O  X     0.0013    0.0005   -0.0014    0.0012    0.0000   -0.0006
            Y     0.0033    0.0030   -0.0010    0.0038    0.0021    0.0013
            Z    -0.0045   -0.0046    0.0021   -0.0054   -0.0034   -0.0009
 AT. 102 O  X    -0.0013   -0.0005    0.0014    0.0012    0.0000   -0.0006
            Y    -0.0033   -0.0030    0.0010    0.0038    0.0021    0.0013
            Z    -0.0045   -0.0046    0.0021    0.0054    0.0034    0.0009
 AT. 103 O  X    -0.0013    0.0005    0.0014    0.0012    0.0000    0.0006
            Y     0.0033   -0.0030   -0.0010   -0.0038    0.0021    0.0013
            Z    -0.0045    0.0046    0.0021    0.0054   -0.0034   -0.0009
 AT. 104 O  X     0.0013   -0.0005   -0.0014    0.0012    0.0000    0.0006
            Y    -0.0033    0.0030    0.0010   -0.0038    0.0021    0.0013
            Z    -0.0045    0.0046    0.0021   -0.0054    0.0034    0.0009
 AT. 105 O  X     0.0013   -0.0005    0.0014   -0.0012    0.0000    0.0006
            Y     0.0033   -0.0030    0.0010   -0.0038    0.0021   -0.0013
            Z    -0.0045    0.0046   -0.0021    0.0054   -0.0034    0.0009
 AT. 106 O  X    -0.0013    0.0005   -0.0014   -0.0012    0.0000    0.0006
            Y    -0.0033    0.0030   -0.0010   -0.0038    0.0021   -0.0013
            Z    -0.0045    0.0046   -0.0021   -0.0054    0.0034   -0.0009
 AT. 107 O  X    -0.0013   -0.0005   -0.0014   -0.0012    0.0000   -0.0006
            Y     0.0033    0.0030    0.0010    0.0038    0.0021   -0.0013
            Z    -0.0045   -0.0046   -0.0021   -0.0054   -0.0034    0.0009
 AT. 108 O  X     0.0013    0.0005    0.0014   -0.0012    0.0000   -0.0006
            Y    -0.0033   -0.0030   -0.0010    0.0038    0.0021   -0.0013
            Z    -0.0045   -0.0046   -0.0021    0.0054    0.0034   -0.0009
 AT. 109 O  X     0.0023   -0.0025   -0.0085   -0.0006   -0.0045   -0.0141
            Y    -0.0004   -0.0004    0.0008   -0.0005   -0.0003    0.0009
            Z    -0.0012   -0.0019    0.0011   -0.0017   -0.0014    0.0005
 AT. 110 O  X    -0.0023    0.0025    0.0085   -0.0006   -0.0045   -0.0141
            Y     0.0004    0.0004   -0.0008   -0.0005   -0.0003    0.0009
            Z    -0.0012   -0.0019    0.0011    0.0017    0.0014   -0.0005
 AT. 111 O  X    -0.0023   -0.0025    0.0085   -0.0006    0.0045    0.0141
            Y    -0.0004    0.0004    0.0008    0.0005   -0.0003    0.0009
            Z    -0.0012    0.0019    0.0011    0.0017   -0.0014    0.0005
 AT. 112 O  X     0.0023    0.0025   -0.0085   -0.0006    0.0045    0.0141
            Y     0.0004   -0.0004   -0.0008    0.0005   -0.0003    0.0009
            Z    -0.0012    0.0019    0.0011   -0.0017    0.0014   -0.0005
 AT. 113 O  X     0.0023    0.0025    0.0085    0.0006   -0.0045    0.0141
            Y    -0.0004    0.0004   -0.0008    0.0005   -0.0003   -0.0009
            Z    -0.0012    0.0019   -0.0011    0.0017   -0.0014   -0.0005
 AT. 114 O  X    -0.0023   -0.0025   -0.0085    0.0006   -0.0045    0.0141
            Y     0.0004   -0.0004    0.0008    0.0005   -0.0003   -0.0009
            Z    -0.0012    0.0019   -0.0011   -0.0017    0.0014    0.0005
 AT. 115 O  X    -0.0023    0.0025   -0.0085    0.0006    0.0045   -0.0141
            Y    -0.0004   -0.0004   -0.0008   -0.0005   -0.0003   -0.0009
            Z    -0.0012   -0.0019   -0.0011   -0.0017   -0.0014   -0.0005
 AT. 116 O  X     0.0023   -0.0025    0.0085    0.0006    0.0045   -0.0141
            Y     0.0004    0.0004    0.0008   -0.0005   -0.0003   -0.0009
            Z    -0.0012   -0.0019   -0.0011    0.0017    0.0014    0.0005
 AT. 117 O  X     0.0013   -0.0040   -0.0040    0.0021   -0.0043   -0.0064
            Y     0.0020   -0.0025   -0.0036    0.0030   -0.0030   -0.0057
            Z     0.0014   -0.0046   -0.0028    0.0024   -0.0047   -0.0064
 AT. 118 O  X    -0.0013    0.0040    0.0040    0.0021   -0.0043   -0.0064
            Y    -0.0020    0.0025    0.0036    0.0030   -0.0030   -0.0057
            Z     0.0014   -0.0046   -0.0028   -0.0024    0.0047    0.0064
 AT. 119 O  X    -0.0013   -0.0040    0.0040    0.0021    0.0043    0.0064
            Y     0.0020    0.0025   -0.0036   -0.0030   -0.0030   -0.0057
            Z     0.0014    0.0046   -0.0028   -0.0024   -0.0047   -0.0064
 AT. 120 O  X     0.0013    0.0040   -0.0040    0.0021    0.0043    0.0064
            Y    -0.0020   -0.0025    0.0036   -0.0030   -0.0030   -0.0057
            Z     0.0014    0.0046   -0.0028    0.0024    0.0047    0.0064
 AT. 121 O  X     0.0013    0.0040    0.0040   -0.0021   -0.0043    0.0064
            Y     0.0020    0.0025    0.0036   -0.0030   -0.0030    0.0057
            Z     0.0014    0.0046    0.0028   -0.0024   -0.0047    0.0064
 AT. 122 O  X    -0.0013   -0.0040   -0.0040   -0.0021   -0.0043    0.0064
            Y    -0.0020   -0.0025   -0.0036   -0.0030   -0.0030    0.0057
            Z     0.0014    0.0046    0.0028    0.0024    0.0047   -0.0064
 AT. 123 O  X    -0.0013    0.0040   -0.0040   -0.0021    0.0043   -0.0064
            Y     0.0020   -0.0025    0.0036    0.0030   -0.0030    0.0057
            Z     0.0014   -0.0046    0.0028    0.0024   -0.0047    0.0064
 AT. 124 O  X     0.0013   -0.0040    0.0040   -0.0021    0.0043   -0.0064
            Y    -0.0020    0.0025   -0.0036    0.0030   -0.0030    0.0057
            Z     0.0014   -0.0046    0.0028   -0.0024    0.0047   -0.0064

 FREQ(CM**-1)    956.81    959.64    974.54    975.93    979.87    982.63

 AT.   1 SI X     0.0003   -0.0002   -0.0012   -0.0007   -0.0011    0.0002
            Y    -0.0074    0.0061    0.0005    0.0003    0.0002   -0.0002
            Z     0.0013   -0.0011    0.0023    0.0040   -0.0012   -0.0005
 AT.   2 SI X     0.0003    0.0002    0.0012   -0.0007    0.0011    0.0002
            Y    -0.0074   -0.0061   -0.0005    0.0003   -0.0002   -0.0002
            Z    -0.0013   -0.0011    0.0023   -0.0040   -0.0012    0.0005
 AT.   3 SI X     0.0003   -0.0002   -0.0012    0.0007    0.0011    0.0002
            Y     0.0074   -0.0061   -0.0005    0.0003    0.0002    0.0002
            Z    -0.0013    0.0011   -0.0023    0.0040   -0.0012    0.0005
 AT.   4 SI X     0.0003    0.0002    0.0012    0.0007   -0.0011    0.0002
            Y     0.0074    0.0061    0.0005    0.0003   -0.0002    0.0002
            Z     0.0013    0.0011   -0.0023   -0.0040   -0.0012   -0.0005
 AT.   5 SI X     0.0003   -0.0002    0.0012   -0.0007   -0.0011    0.0002
            Y    -0.0074    0.0061   -0.0005    0.0003    0.0002   -0.0002
            Z     0.0013   -0.0011   -0.0023    0.0040   -0.0012   -0.0005
 AT.   6 SI X     0.0003    0.0002   -0.0012   -0.0007    0.0011    0.0002
            Y    -0.0074   -0.0061    0.0005    0.0003   -0.0002   -0.0002
            Z    -0.0013   -0.0011   -0.0023   -0.0040   -0.0012    0.0005
 AT.   7 SI X     0.0003   -0.0002    0.0012    0.0007    0.0011    0.0002
            Y     0.0074   -0.0061    0.0005    0.0003    0.0002    0.0002
            Z    -0.0013    0.0011    0.0023    0.0040   -0.0012    0.0005
 AT.   8 SI X     0.0003    0.0002   -0.0012    0.0007   -0.0011    0.0002
            Y     0.0074    0.0061   -0.0005    0.0003   -0.0002    0.0002
            Z     0.0013    0.0011    0.0023   -0.0040   -0.0012   -0.0005
 AT.   9 SI X     0.0053   -0.0100   -0.0117   -0.0114   -0.0152   -0.0139
            Y    -0.0091    0.0069    0.0005    0.0008   -0.0046   -0.0053
            Z    -0.0076    0.0058    0.0034    0.0037    0.0031    0.0018
 AT.  10 SI X     0.0053    0.0100    0.0117   -0.0114    0.0152   -0.0139
            Y    -0.0091   -0.0069   -0.0005    0.0008    0.0046   -0.0053
            Z     0.0076    0.0058    0.0034   -0.0037    0.0031   -0.0018
 AT.  11 SI X     0.0053   -0.0100   -0.0117    0.0114    0.0152   -0.0139
            Y     0.0091   -0.0069   -0.0005    0.0008   -0.0046    0.0053
            Z     0.0076   -0.0058   -0.0034    0.0037    0.0031   -0.0018
 AT.  12 SI X     0.0053    0.0100    0.0117    0.0114   -0.0152   -0.0139
            Y     0.0091    0.0069    0.0005    0.0008    0.0046    0.0053
            Z    -0.0076   -0.0058   -0.0034   -0.0037    0.0031    0.0018
 AT.  13 SI X     0.0053   -0.0100    0.0117   -0.0114   -0.0152   -0.0139
            Y    -0.0091    0.0069   -0.0005    0.0008   -0.0046   -0.0053
            Z    -0.0076    0.0058   -0.0034    0.0037    0.0031    0.0018
 AT.  14 SI X     0.0053    0.0100   -0.0117   -0.0114    0.0152   -0.0139
            Y    -0.0091   -0.0069    0.0005    0.0008    0.0046   -0.0053
            Z     0.0076    0.0058   -0.0034   -0.0037    0.0031   -0.0018
 AT.  15 SI X     0.0053   -0.0100    0.0117    0.0114    0.0152   -0.0139
            Y     0.0091   -0.0069    0.0005    0.0008   -0.0046    0.0053
            Z     0.0076   -0.0058    0.0034    0.0037    0.0031   -0.0018
 AT.  16 SI X     0.0053    0.0100   -0.0117    0.0114   -0.0152   -0.0139
            Y     0.0091    0.0069   -0.0005    0.0008    0.0046    0.0053
            Z    -0.0076   -0.0058    0.0034   -0.0037    0.0031    0.0018
 AT.  17 SI X     0.0061    0.0000    0.0000    0.0000    0.0011    0.0062
            Y     0.0000   -0.0069   -0.0127   -0.0123    0.0000    0.0000
            Z     0.0026    0.0000    0.0000    0.0000    0.0014    0.0035
 AT.  18 SI X     0.0061    0.0000    0.0000    0.0000   -0.0011    0.0062
            Y     0.0000    0.0069    0.0127   -0.0123    0.0000    0.0000
            Z    -0.0026    0.0000    0.0000    0.0000    0.0014   -0.0035
 AT.  19 SI X     0.0061    0.0000    0.0000    0.0000    0.0011    0.0062
            Y     0.0000   -0.0069    0.0127   -0.0123    0.0000    0.0000
            Z     0.0026    0.0000    0.0000    0.0000    0.0014    0.0035
 AT.  20 SI X     0.0061    0.0000    0.0000    0.0000   -0.0011    0.0062
            Y     0.0000    0.0069   -0.0127   -0.0123    0.0000    0.0000
            Z    -0.0026    0.0000    0.0000    0.0000    0.0014   -0.0035
 AT.  21 CA X     0.0000    0.0000   -0.0001   -0.0001   -0.0001    0.0000
            Y    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0003    0.0005   -0.0001    0.0001
 AT.  22 CA X     0.0000    0.0000    0.0001   -0.0001    0.0001    0.0000
            Y    -0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0003   -0.0005   -0.0001   -0.0001
 AT.  23 CA X     0.0000    0.0000   -0.0001    0.0001    0.0001    0.0000
            Y     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0003    0.0005   -0.0001   -0.0001
 AT.  24 CA X     0.0000    0.0000    0.0001    0.0001   -0.0001    0.0000
            Y     0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0003   -0.0005   -0.0001    0.0001
 AT.  25 CA X     0.0000    0.0000    0.0001   -0.0001   -0.0001    0.0000
            Y    -0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0003    0.0005   -0.0001    0.0001
 AT.  26 CA X     0.0000    0.0000   -0.0001   -0.0001    0.0001    0.0000
            Y    -0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0003   -0.0005   -0.0001   -0.0001
 AT.  27 CA X     0.0000    0.0000    0.0001    0.0001    0.0001    0.0000
            Y     0.0001   -0.0001    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0003    0.0005   -0.0001   -0.0001
 AT.  28 CA X     0.0000    0.0000   -0.0001    0.0001   -0.0001    0.0000
            Y     0.0001    0.0001    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0003   -0.0005   -0.0001    0.0001
 AT.  29 CA X     0.0001   -0.0001    0.0000    0.0000    0.0001    0.0000
            Y    -0.0012    0.0010    0.0000    0.0000    0.0000    0.0000
            Z     0.0004   -0.0003    0.0000    0.0005   -0.0002    0.0000
 AT.  30 CA X     0.0001    0.0001    0.0000    0.0000   -0.0001    0.0000
            Y    -0.0012   -0.0010    0.0000    0.0000    0.0000    0.0000
            Z    -0.0004   -0.0003    0.0000   -0.0005   -0.0002    0.0000
 AT.  31 CA X     0.0001   -0.0001    0.0000    0.0000   -0.0001    0.0000
            Y     0.0012   -0.0010    0.0000    0.0000    0.0000    0.0000
            Z    -0.0004    0.0003    0.0000    0.0005   -0.0002    0.0000
 AT.  32 CA X     0.0001    0.0001    0.0000    0.0000    0.0001    0.0000
            Y     0.0012    0.0010    0.0000    0.0000    0.0000    0.0000
            Z     0.0004    0.0003    0.0000   -0.0005   -0.0002    0.0000
 AT.  33 CA X    -0.0001    0.0002    0.0004    0.0004    0.0005    0.0004
            Y    -0.0011    0.0010    0.0002    0.0002    0.0000   -0.0001
            Z    -0.0002    0.0001    0.0004    0.0005   -0.0001    0.0000
 AT.  34 CA X    -0.0001   -0.0002   -0.0004    0.0004   -0.0005    0.0004
            Y    -0.0011   -0.0010   -0.0002    0.0002    0.0000   -0.0001
            Z     0.0002    0.0001    0.0004   -0.0005   -0.0001    0.0000
 AT.  35 CA X    -0.0001    0.0002    0.0004   -0.0004   -0.0005    0.0004
            Y     0.0011   -0.0010   -0.0002    0.0002    0.0000    0.0001
            Z     0.0002   -0.0001   -0.0004    0.0005   -0.0001    0.0000
 AT.  36 CA X    -0.0001   -0.0002   -0.0004   -0.0004    0.0005    0.0004
            Y     0.0011    0.0010    0.0002    0.0002    0.0000    0.0001
            Z    -0.0002   -0.0001   -0.0004   -0.0005   -0.0001    0.0000
 AT.  37 CA X    -0.0001    0.0002   -0.0004    0.0004    0.0005    0.0004
            Y    -0.0011    0.0010   -0.0002    0.0002    0.0000   -0.0001
            Z    -0.0002    0.0001   -0.0004    0.0005   -0.0001    0.0000
 AT.  38 CA X    -0.0001   -0.0002    0.0004    0.0004   -0.0005    0.0004
            Y    -0.0011   -0.0010    0.0002    0.0002    0.0000   -0.0001
            Z     0.0002    0.0001   -0.0004   -0.0005   -0.0001    0.0000
 AT.  39 CA X    -0.0001    0.0002   -0.0004   -0.0004   -0.0005    0.0004
            Y     0.0011   -0.0010    0.0002    0.0002    0.0000    0.0001
            Z     0.0002   -0.0001    0.0004    0.0005   -0.0001    0.0000
 AT.  40 CA X    -0.0001   -0.0002    0.0004   -0.0004    0.0005    0.0004
            Y     0.0011    0.0010   -0.0002    0.0002    0.0000    0.0001
            Z    -0.0002   -0.0001    0.0004   -0.0005   -0.0001    0.0000
 AT.  41 CA X    -0.0003    0.0001   -0.0002   -0.0002   -0.0004    0.0001
            Y    -0.0003    0.0003   -0.0001   -0.0001    0.0001   -0.0003
            Z     0.0005   -0.0001    0.0002    0.0002    0.0002   -0.0001
 AT.  42 CA X    -0.0003   -0.0001    0.0002   -0.0002    0.0004    0.0001
            Y    -0.0003   -0.0003    0.0001   -0.0001   -0.0001   -0.0003
            Z    -0.0005   -0.0001    0.0002   -0.0002    0.0002    0.0001
 AT.  43 CA X    -0.0003    0.0001   -0.0002    0.0002    0.0004    0.0001
            Y     0.0003   -0.0003    0.0001   -0.0001    0.0001    0.0003
            Z    -0.0005    0.0001   -0.0002    0.0002    0.0002    0.0001
 AT.  44 CA X    -0.0003   -0.0001    0.0002    0.0002   -0.0004    0.0001
            Y     0.0003    0.0003   -0.0001   -0.0001   -0.0001    0.0003
            Z     0.0005    0.0001   -0.0002   -0.0002    0.0002   -0.0001
 AT.  45 CA X    -0.0003    0.0001    0.0002   -0.0002   -0.0004    0.0001
            Y    -0.0003    0.0003    0.0001   -0.0001    0.0001   -0.0003
            Z     0.0005   -0.0001   -0.0002    0.0002    0.0002   -0.0001
 AT.  46 CA X    -0.0003   -0.0001   -0.0002   -0.0002    0.0004    0.0001
            Y    -0.0003   -0.0003   -0.0001   -0.0001   -0.0001   -0.0003
            Z    -0.0005   -0.0001   -0.0002   -0.0002    0.0002    0.0001
 AT.  47 CA X    -0.0003    0.0001    0.0002    0.0002    0.0004    0.0001
            Y     0.0003   -0.0003   -0.0001   -0.0001    0.0001    0.0003
            Z    -0.0005    0.0001    0.0002    0.0002    0.0002    0.0001
 AT.  48 CA X    -0.0003   -0.0001   -0.0002    0.0002   -0.0004    0.0001
            Y     0.0003    0.0003    0.0001   -0.0001   -0.0001    0.0003
            Z     0.0005    0.0001    0.0002   -0.0002    0.0002   -0.0001
 AT.  49 CA X     0.0001    0.0000    0.0000    0.0000    0.0005    0.0005
            Y     0.0000    0.0004    0.0005    0.0005    0.0000    0.0000
            Z     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0003
 AT.  50 CA X     0.0001    0.0000    0.0000    0.0000   -0.0005    0.0005
            Y     0.0000   -0.0004   -0.0005    0.0005    0.0000    0.0000
            Z    -0.0002    0.0000    0.0000    0.0000    0.0000    0.0003
 AT.  51 CA X     0.0001    0.0000    0.0000    0.0000    0.0005    0.0005
            Y     0.0000    0.0004   -0.0005    0.0005    0.0000    0.0000
            Z     0.0002    0.0000    0.0000    0.0000    0.0000   -0.0003
 AT.  52 CA X     0.0001    0.0000    0.0000    0.0000   -0.0005    0.0005
            Y     0.0000   -0.0004    0.0005    0.0005    0.0000    0.0000
            Z    -0.0002    0.0000    0.0000    0.0000    0.0000    0.0003
 AT.  53 O  X     0.0017   -0.0013    0.0002    0.0002    0.0002    0.0001
            Y     0.0083   -0.0068   -0.0001    0.0001    0.0001    0.0001
            Z    -0.0005    0.0004   -0.0006   -0.0011    0.0002   -0.0001
 AT.  54 O  X     0.0017    0.0013   -0.0002    0.0002   -0.0002    0.0001
            Y     0.0083    0.0068    0.0001    0.0001   -0.0001    0.0001
            Z     0.0005    0.0004   -0.0006    0.0011    0.0002    0.0001
 AT.  55 O  X     0.0017   -0.0013    0.0002   -0.0002   -0.0002    0.0001
            Y    -0.0083    0.0068    0.0001    0.0001    0.0001   -0.0001
            Z     0.0005   -0.0004    0.0006   -0.0011    0.0002    0.0001
 AT.  56 O  X     0.0017    0.0013   -0.0002   -0.0002    0.0002    0.0001
            Y    -0.0083   -0.0068   -0.0001    0.0001   -0.0001   -0.0001
            Z    -0.0005   -0.0004    0.0006    0.0011    0.0002   -0.0001
 AT.  57 O  X     0.0017   -0.0013   -0.0002    0.0002    0.0002    0.0001
            Y     0.0083   -0.0068    0.0001    0.0001    0.0001    0.0001
            Z    -0.0005    0.0004    0.0006   -0.0011    0.0002   -0.0001
 AT.  58 O  X     0.0017    0.0013    0.0002    0.0002   -0.0002    0.0001
            Y     0.0083    0.0068   -0.0001    0.0001   -0.0001    0.0001
            Z     0.0005    0.0004    0.0006    0.0011    0.0002    0.0001
 AT.  59 O  X     0.0017   -0.0013   -0.0002   -0.0002   -0.0002    0.0001
            Y    -0.0083    0.0068   -0.0001    0.0001    0.0001   -0.0001
            Z     0.0005   -0.0004   -0.0006   -0.0011    0.0002    0.0001
 AT.  60 O  X     0.0017    0.0013    0.0002   -0.0002    0.0002    0.0001
            Y    -0.0083   -0.0068    0.0001    0.0001   -0.0001   -0.0001
            Z    -0.0005   -0.0004   -0.0006    0.0011    0.0002   -0.0001
 AT.  61 O  X    -0.0008    0.0007    0.0010    0.0013    0.0001   -0.0001
            Y     0.0031   -0.0025   -0.0013   -0.0018    0.0001    0.0006
            Z     0.0018   -0.0015   -0.0034   -0.0046    0.0003    0.0009
 AT.  62 O  X    -0.0008   -0.0007   -0.0010    0.0013   -0.0001   -0.0001
            Y     0.0031    0.0025    0.0013   -0.0018   -0.0001    0.0006
            Z    -0.0018   -0.0015   -0.0034    0.0046    0.0003   -0.0009
 AT.  63 O  X    -0.0008    0.0007    0.0010   -0.0013   -0.0001   -0.0001
            Y    -0.0031    0.0025    0.0013   -0.0018    0.0001   -0.0006
            Z    -0.0018    0.0015    0.0034   -0.0046    0.0003   -0.0009
 AT.  64 O  X    -0.0008   -0.0007   -0.0010   -0.0013    0.0001   -0.0001
            Y    -0.0031   -0.0025   -0.0013   -0.0018   -0.0001   -0.0006
            Z     0.0018    0.0015    0.0034    0.0046    0.0003    0.0009
 AT.  65 O  X    -0.0008    0.0007   -0.0010    0.0013    0.0001   -0.0001
            Y     0.0031   -0.0025    0.0013   -0.0018    0.0001    0.0006
            Z     0.0018   -0.0015    0.0034   -0.0046    0.0003    0.0009
 AT.  66 O  X    -0.0008   -0.0007    0.0010    0.0013   -0.0001   -0.0001
            Y     0.0031    0.0025   -0.0013   -0.0018   -0.0001    0.0006
            Z    -0.0018   -0.0015    0.0034    0.0046    0.0003   -0.0009
 AT.  67 O  X    -0.0008    0.0007   -0.0010   -0.0013   -0.0001   -0.0001
            Y    -0.0031    0.0025   -0.0013   -0.0018    0.0001   -0.0006
            Z    -0.0018    0.0015   -0.0034   -0.0046    0.0003   -0.0009
 AT.  68 O  X    -0.0008   -0.0007    0.0010   -0.0013    0.0001   -0.0001
            Y    -0.0031   -0.0025    0.0013   -0.0018   -0.0001   -0.0006
            Z     0.0018    0.0015   -0.0034    0.0046    0.0003    0.0009
 AT.  69 O  X    -0.0013    0.0011   -0.0003   -0.0009    0.0005    0.0001
            Y     0.0038   -0.0031    0.0005    0.0012   -0.0006   -0.0001
            Z    -0.0042    0.0035   -0.0011   -0.0032    0.0018    0.0002
 AT.  70 O  X    -0.0013   -0.0011    0.0003   -0.0009   -0.0005    0.0001
            Y     0.0038    0.0031   -0.0005    0.0012    0.0006   -0.0001
            Z     0.0042    0.0035   -0.0011    0.0032    0.0018   -0.0002
 AT.  71 O  X    -0.0013    0.0011   -0.0003    0.0009   -0.0005    0.0001
            Y    -0.0038    0.0031   -0.0005    0.0012   -0.0006    0.0001
            Z     0.0042   -0.0035    0.0011   -0.0032    0.0018   -0.0002
 AT.  72 O  X    -0.0013   -0.0011    0.0003    0.0009    0.0005    0.0001
            Y    -0.0038   -0.0031    0.0005    0.0012    0.0006    0.0001
            Z    -0.0042   -0.0035    0.0011    0.0032    0.0018    0.0002
 AT.  73 O  X    -0.0013    0.0011    0.0003   -0.0009    0.0005    0.0001
            Y     0.0038   -0.0031   -0.0005    0.0012   -0.0006   -0.0001
            Z    -0.0042    0.0035    0.0011   -0.0032    0.0018    0.0002
 AT.  74 O  X    -0.0013   -0.0011   -0.0003   -0.0009   -0.0005    0.0001
            Y     0.0038    0.0031    0.0005    0.0012    0.0006   -0.0001
            Z     0.0042    0.0035    0.0011    0.0032    0.0018   -0.0002
 AT.  75 O  X    -0.0013    0.0011    0.0003    0.0009   -0.0005    0.0001
            Y    -0.0038    0.0031    0.0005    0.0012   -0.0006    0.0001
            Z     0.0042   -0.0035   -0.0011   -0.0032    0.0018   -0.0002
 AT.  76 O  X    -0.0013   -0.0011   -0.0003    0.0009    0.0005    0.0001
            Y    -0.0038   -0.0031   -0.0005    0.0012    0.0006    0.0001
            Z    -0.0042   -0.0035   -0.0011    0.0032    0.0018    0.0002
 AT.  77 O  X    -0.0003    0.0002    0.0010    0.0005    0.0010   -0.0004
            Y     0.0025   -0.0021    0.0000    0.0000    0.0001    0.0000
            Z    -0.0002    0.0001   -0.0005   -0.0011    0.0005    0.0001
 AT.  78 O  X    -0.0003   -0.0002   -0.0010    0.0005   -0.0010   -0.0004
            Y     0.0025    0.0021    0.0000    0.0000   -0.0001    0.0000
            Z     0.0002    0.0001   -0.0005    0.0011    0.0005   -0.0001
 AT.  79 O  X    -0.0003    0.0002    0.0010   -0.0005   -0.0010   -0.0004
            Y    -0.0025    0.0021    0.0000    0.0000    0.0001    0.0000
            Z     0.0002   -0.0001    0.0005   -0.0011    0.0005   -0.0001
 AT.  80 O  X    -0.0003   -0.0002   -0.0010   -0.0005    0.0010   -0.0004
            Y    -0.0025   -0.0021    0.0000    0.0000   -0.0001    0.0000
            Z    -0.0002   -0.0001    0.0005    0.0011    0.0005    0.0001
 AT.  81 O  X    -0.0003    0.0002   -0.0010    0.0005    0.0010   -0.0004
            Y     0.0025   -0.0021    0.0000    0.0000    0.0001    0.0000
            Z    -0.0002    0.0001    0.0005   -0.0011    0.0005    0.0001
 AT.  82 O  X    -0.0003   -0.0002    0.0010    0.0005   -0.0010   -0.0004
            Y     0.0025    0.0021    0.0000    0.0000   -0.0001    0.0000
            Z     0.0002    0.0001    0.0005    0.0011    0.0005   -0.0001
 AT.  83 O  X    -0.0003    0.0002   -0.0010   -0.0005   -0.0010   -0.0004
            Y    -0.0025    0.0021    0.0000    0.0000    0.0001    0.0000
            Z     0.0002   -0.0001   -0.0005   -0.0011    0.0005   -0.0001
 AT.  84 O  X    -0.0003   -0.0002    0.0010   -0.0005    0.0010   -0.0004
            Y    -0.0025   -0.0021    0.0000    0.0000   -0.0001    0.0000
            Z    -0.0002   -0.0001   -0.0005    0.0011    0.0005    0.0001
 AT.  85 O  X    -0.0047    0.0043    0.0028    0.0029    0.0029    0.0022
            Y     0.0064   -0.0059   -0.0031   -0.0033   -0.0031   -0.0022
            Z     0.0106   -0.0095   -0.0058   -0.0063   -0.0058   -0.0048
 AT.  86 O  X    -0.0047   -0.0043   -0.0028    0.0029   -0.0029    0.0022
            Y     0.0064    0.0059    0.0031   -0.0033    0.0031   -0.0022
            Z    -0.0106   -0.0095   -0.0058    0.0063   -0.0058    0.0048
 AT.  87 O  X    -0.0047    0.0043    0.0028   -0.0029   -0.0029    0.0022
            Y    -0.0064    0.0059    0.0031   -0.0033   -0.0031    0.0022
            Z    -0.0106    0.0095    0.0058   -0.0063   -0.0058    0.0048
 AT.  88 O  X    -0.0047   -0.0043   -0.0028   -0.0029    0.0029    0.0022
            Y    -0.0064   -0.0059   -0.0031   -0.0033    0.0031    0.0022
            Z     0.0106    0.0095    0.0058    0.0063   -0.0058   -0.0048
 AT.  89 O  X    -0.0047    0.0043   -0.0028    0.0029    0.0029    0.0022
            Y     0.0064   -0.0059    0.0031   -0.0033   -0.0031   -0.0022
            Z     0.0106   -0.0095    0.0058   -0.0063   -0.0058   -0.0048
 AT.  90 O  X    -0.0047   -0.0043    0.0028    0.0029   -0.0029    0.0022
            Y     0.0064    0.0059   -0.0031   -0.0033    0.0031   -0.0022
            Z    -0.0106   -0.0095    0.0058    0.0063   -0.0058    0.0048
 AT.  91 O  X    -0.0047    0.0043   -0.0028   -0.0029   -0.0029    0.0022
            Y    -0.0064    0.0059   -0.0031   -0.0033   -0.0031    0.0022
            Z    -0.0106    0.0095   -0.0058   -0.0063   -0.0058    0.0048
 AT.  92 O  X    -0.0047   -0.0043    0.0028   -0.0029    0.0029    0.0022
            Y    -0.0064   -0.0059    0.0031   -0.0033    0.0031    0.0022
            Z     0.0106    0.0095   -0.0058    0.0063   -0.0058   -0.0048
 AT.  93 O  X     0.0038   -0.0020    0.0014    0.0013    0.0044    0.0046
            Y     0.0111   -0.0064    0.0018    0.0013    0.0108    0.0120
            Z     0.0013   -0.0007    0.0000   -0.0002    0.0010    0.0011
 AT.  94 O  X     0.0038    0.0020   -0.0014    0.0013   -0.0044    0.0046
            Y     0.0111    0.0064   -0.0018    0.0013   -0.0108    0.0120
            Z    -0.0013   -0.0007    0.0000    0.0002    0.0010   -0.0011
 AT.  95 O  X     0.0038   -0.0020    0.0014   -0.0013   -0.0044    0.0046
            Y    -0.0111    0.0064   -0.0018    0.0013    0.0108   -0.0120
            Z    -0.0013    0.0007    0.0000   -0.0002    0.0010   -0.0011
 AT.  96 O  X     0.0038    0.0020   -0.0014   -0.0013    0.0044    0.0046
            Y    -0.0111   -0.0064    0.0018    0.0013   -0.0108   -0.0120
            Z     0.0013    0.0007    0.0000    0.0002    0.0010    0.0011
 AT.  97 O  X     0.0038   -0.0020   -0.0014    0.0013    0.0044    0.0046
            Y     0.0111   -0.0064   -0.0018    0.0013    0.0108    0.0120
            Z     0.0013   -0.0007    0.0000   -0.0002    0.0010    0.0011
 AT.  98 O  X     0.0038    0.0020    0.0014    0.0013   -0.0044    0.0046
            Y     0.0111    0.0064    0.0018    0.0013   -0.0108    0.0120
            Z    -0.0013   -0.0007    0.0000    0.0002    0.0010   -0.0011
 AT.  99 O  X     0.0038   -0.0020   -0.0014   -0.0013   -0.0044    0.0046
            Y    -0.0111    0.0064    0.0018    0.0013    0.0108   -0.0120
            Z    -0.0013    0.0007    0.0000   -0.0002    0.0010   -0.0011
 AT. 100 O  X     0.0038    0.0020    0.0014   -0.0013    0.0044    0.0046
            Y    -0.0111   -0.0064   -0.0018    0.0013   -0.0108   -0.0120
            Z     0.0013    0.0007    0.0000    0.0002    0.0010    0.0011
 AT. 101 O  X    -0.0013    0.0008    0.0020    0.0021    0.0006   -0.0004
            Y    -0.0012   -0.0004    0.0023    0.0024   -0.0006   -0.0017
            Z     0.0023   -0.0001   -0.0021   -0.0024    0.0009    0.0026
 AT. 102 O  X    -0.0013   -0.0008   -0.0020    0.0021   -0.0006   -0.0004
            Y    -0.0012    0.0004   -0.0023    0.0024    0.0006   -0.0017
            Z    -0.0023   -0.0001   -0.0021    0.0024    0.0009   -0.0026
 AT. 103 O  X    -0.0013    0.0008    0.0020   -0.0021   -0.0006   -0.0004
            Y     0.0012    0.0004   -0.0023    0.0024   -0.0006    0.0017
            Z    -0.0023    0.0001    0.0021   -0.0024    0.0009   -0.0026
 AT. 104 O  X    -0.0013   -0.0008   -0.0020   -0.0021    0.0006   -0.0004
            Y     0.0012   -0.0004    0.0023    0.0024    0.0006    0.0017
            Z     0.0023    0.0001    0.0021    0.0024    0.0009    0.0026
 AT. 105 O  X    -0.0013    0.0008   -0.0020    0.0021    0.0006   -0.0004
            Y    -0.0012   -0.0004   -0.0023    0.0024   -0.0006   -0.0017
            Z     0.0023   -0.0001    0.0021   -0.0024    0.0009    0.0026
 AT. 106 O  X    -0.0013   -0.0008    0.0020    0.0021   -0.0006   -0.0004
            Y    -0.0012    0.0004    0.0023    0.0024    0.0006   -0.0017
            Z    -0.0023   -0.0001    0.0021    0.0024    0.0009   -0.0026
 AT. 107 O  X    -0.0013    0.0008   -0.0020   -0.0021   -0.0006   -0.0004
            Y     0.0012    0.0004    0.0023    0.0024   -0.0006    0.0017
            Z    -0.0023    0.0001   -0.0021   -0.0024    0.0009   -0.0026
 AT. 108 O  X    -0.0013   -0.0008    0.0020   -0.0021    0.0006   -0.0004
            Y     0.0012   -0.0004   -0.0023    0.0024    0.0006    0.0017
            Z     0.0023    0.0001   -0.0021    0.0024    0.0009    0.0026
 AT. 109 O  X    -0.0073    0.0134    0.0144    0.0141    0.0170    0.0155
            Y     0.0007   -0.0007    0.0000    0.0000    0.0008    0.0007
            Z     0.0013   -0.0007   -0.0007   -0.0009   -0.0010   -0.0006
 AT. 110 O  X    -0.0073   -0.0134   -0.0144    0.0141   -0.0170    0.0155
            Y     0.0007    0.0007    0.0000    0.0000   -0.0008    0.0007
            Z    -0.0013   -0.0007   -0.0007    0.0009   -0.0010    0.0006
 AT. 111 O  X    -0.0073    0.0134    0.0144   -0.0141   -0.0170    0.0155
            Y    -0.0007    0.0007    0.0000    0.0000    0.0008   -0.0007
            Z    -0.0013    0.0007    0.0007   -0.0009   -0.0010    0.0006
 AT. 112 O  X    -0.0073   -0.0134   -0.0144   -0.0141    0.0170    0.0155
            Y    -0.0007   -0.0007    0.0000    0.0000   -0.0008   -0.0007
            Z     0.0013    0.0007    0.0007    0.0009   -0.0010   -0.0006
 AT. 113 O  X    -0.0073    0.0134   -0.0144    0.0141    0.0170    0.0155
            Y     0.0007   -0.0007    0.0000    0.0000    0.0008    0.0007
            Z     0.0013   -0.0007    0.0007   -0.0009   -0.0010   -0.0006
 AT. 114 O  X    -0.0073   -0.0134    0.0144    0.0141   -0.0170    0.0155
            Y     0.0007    0.0007    0.0000    0.0000   -0.0008    0.0007
            Z    -0.0013   -0.0007    0.0007    0.0009   -0.0010    0.0006
 AT. 115 O  X    -0.0073    0.0134   -0.0144   -0.0141   -0.0170    0.0155
            Y    -0.0007    0.0007    0.0000    0.0000    0.0008   -0.0007
            Z    -0.0013    0.0007   -0.0007   -0.0009   -0.0010    0.0006
 AT. 116 O  X    -0.0073   -0.0134    0.0144   -0.0141    0.0170    0.0155
            Y    -0.0007   -0.0007    0.0000    0.0000   -0.0008   -0.0007
            Z     0.0013    0.0007   -0.0007    0.0009   -0.0010   -0.0006
 AT. 117 O  X    -0.0040    0.0058    0.0095    0.0089   -0.0013   -0.0050
            Y    -0.0037    0.0053    0.0085    0.0081   -0.0018   -0.0050
            Z    -0.0030    0.0058    0.0096    0.0090   -0.0020   -0.0045
 AT. 118 O  X    -0.0040   -0.0058   -0.0095    0.0089    0.0013   -0.0050
            Y    -0.0037   -0.0053   -0.0085    0.0081    0.0018   -0.0050
            Z     0.0030    0.0058    0.0096   -0.0090   -0.0020    0.0045
 AT. 119 O  X    -0.0040    0.0058    0.0095   -0.0089    0.0013   -0.0050
            Y     0.0037   -0.0053   -0.0085    0.0081   -0.0018    0.0050
            Z     0.0030   -0.0058   -0.0096    0.0090   -0.0020    0.0045
 AT. 120 O  X    -0.0040   -0.0058   -0.0095   -0.0089   -0.0013   -0.0050
            Y     0.0037    0.0053    0.0085    0.0081    0.0018    0.0050
            Z    -0.0030   -0.0058   -0.0096   -0.0090   -0.0020   -0.0045
 AT. 121 O  X    -0.0040    0.0058   -0.0095    0.0089   -0.0013   -0.0050
            Y    -0.0037    0.0053   -0.0085    0.0081   -0.0018   -0.0050
            Z    -0.0030    0.0058   -0.0096    0.0090   -0.0020   -0.0045
 AT. 122 O  X    -0.0040   -0.0058    0.0095    0.0089    0.0013   -0.0050
            Y    -0.0037   -0.0053    0.0085    0.0081    0.0018   -0.0050
            Z     0.0030    0.0058   -0.0096   -0.0090   -0.0020    0.0045
 AT. 123 O  X    -0.0040    0.0058   -0.0095   -0.0089    0.0013   -0.0050
            Y     0.0037   -0.0053    0.0085    0.0081   -0.0018    0.0050
            Z     0.0030   -0.0058    0.0096    0.0090   -0.0020    0.0045
 AT. 124 O  X    -0.0040   -0.0058    0.0095   -0.0089   -0.0013   -0.0050
            Y     0.0037    0.0053   -0.0085    0.0081    0.0018    0.0050
            Z    -0.0030   -0.0058    0.0096   -0.0090   -0.0020   -0.0045

 FREQ(CM**-1)    982.67    982.71    993.30    994.28   1001.19   1001.45

 AT.   1 SI X    -0.0003   -0.0010   -0.0003   -0.0004    0.0002    0.0004
            Y     0.0005    0.0003   -0.0001   -0.0001   -0.0017   -0.0023
            Z     0.0005    0.0017    0.0005    0.0007   -0.0022   -0.0012
 AT.   2 SI X     0.0003   -0.0010    0.0003   -0.0004    0.0002   -0.0004
            Y    -0.0005    0.0003    0.0001   -0.0001   -0.0017    0.0023
            Z     0.0005   -0.0017    0.0005   -0.0007    0.0022   -0.0012
 AT.   3 SI X     0.0003   -0.0010   -0.0003    0.0004   -0.0002    0.0004
            Y     0.0005   -0.0003    0.0001   -0.0001   -0.0017    0.0023
            Z     0.0005   -0.0017   -0.0005    0.0007   -0.0022    0.0012
 AT.   4 SI X    -0.0003   -0.0010    0.0003    0.0004   -0.0002   -0.0004
            Y    -0.0005   -0.0003   -0.0001   -0.0001   -0.0017   -0.0023
            Z     0.0005    0.0017   -0.0005   -0.0007    0.0022    0.0012
 AT.   5 SI X     0.0003    0.0010    0.0003   -0.0004   -0.0002    0.0004
            Y    -0.0005   -0.0003    0.0001   -0.0001    0.0017   -0.0023
            Z    -0.0005   -0.0017   -0.0005    0.0007    0.0022   -0.0012
 AT.   6 SI X    -0.0003    0.0010   -0.0003   -0.0004   -0.0002   -0.0004
            Y     0.0005   -0.0003   -0.0001   -0.0001    0.0017    0.0023
            Z    -0.0005    0.0017   -0.0005   -0.0007   -0.0022   -0.0012
 AT.   7 SI X    -0.0003    0.0010    0.0003    0.0004    0.0002    0.0004
            Y    -0.0005    0.0003   -0.0001   -0.0001    0.0017    0.0023
            Z    -0.0005    0.0017    0.0005    0.0007    0.0022    0.0012
 AT.   8 SI X     0.0003    0.0010   -0.0003    0.0004    0.0002   -0.0004
            Y     0.0005    0.0003    0.0001   -0.0001    0.0017   -0.0023
            Z    -0.0005   -0.0017    0.0005   -0.0007   -0.0022    0.0012
 AT.   9 SI X     0.0138   -0.0152   -0.0094   -0.0091   -0.0111   -0.0110
            Y     0.0053   -0.0032   -0.0045   -0.0044   -0.0102   -0.0104
            Z    -0.0017    0.0048    0.0044    0.0044    0.0013    0.0012
 AT.  10 SI X    -0.0138   -0.0152    0.0094   -0.0091   -0.0111    0.0110
            Y    -0.0053   -0.0032    0.0045   -0.0044   -0.0102    0.0104
            Z    -0.0017   -0.0048    0.0044   -0.0044   -0.0013    0.0012
 AT.  11 SI X    -0.0138   -0.0152   -0.0094    0.0091    0.0111   -0.0110
            Y     0.0053    0.0032    0.0045   -0.0044   -0.0102    0.0104
            Z    -0.0017   -0.0048   -0.0044    0.0044    0.0013   -0.0012
 AT.  12 SI X     0.0138   -0.0152    0.0094    0.0091    0.0111    0.0110
            Y    -0.0053    0.0032   -0.0045   -0.0044   -0.0102   -0.0104
            Z    -0.0017    0.0048   -0.0044   -0.0044   -0.0013   -0.0012
 AT.  13 SI X    -0.0138    0.0152    0.0094   -0.0091    0.0111   -0.0110
            Y    -0.0053    0.0032    0.0045   -0.0044    0.0102   -0.0104
            Z     0.0017   -0.0048   -0.0044    0.0044   -0.0013    0.0012
 AT.  14 SI X     0.0138    0.0152   -0.0094   -0.0091    0.0111    0.0110
            Y     0.0053    0.0032   -0.0045   -0.0044    0.0102    0.0104
            Z     0.0017    0.0048   -0.0044   -0.0044    0.0013    0.0012
 AT.  15 SI X     0.0138    0.0152    0.0094    0.0091   -0.0111   -0.0110
            Y    -0.0053   -0.0032   -0.0045   -0.0044    0.0102    0.0104
            Z     0.0017    0.0048    0.0044    0.0044   -0.0013   -0.0012
 AT.  16 SI X    -0.0138    0.0152   -0.0094    0.0091   -0.0111    0.0110
            Y     0.0053   -0.0032    0.0045   -0.0044    0.0102   -0.0104
            Z     0.0017   -0.0048    0.0044   -0.0044    0.0013   -0.0012
 AT.  17 SI X    -0.0063   -0.0008    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0000    0.0143    0.0146    0.0029    0.0030
            Z    -0.0036    0.0004    0.0000    0.0000    0.0000    0.0000
 AT.  18 SI X     0.0063   -0.0008    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0000   -0.0143    0.0146    0.0029   -0.0030
            Z    -0.0036   -0.0004    0.0000    0.0000    0.0000    0.0000
 AT.  19 SI X     0.0063    0.0008    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0000   -0.0143    0.0146   -0.0029    0.0030
            Z     0.0036   -0.0004    0.0000    0.0000    0.0000    0.0000
 AT.  20 SI X    -0.0063    0.0008    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0000    0.0143    0.0146   -0.0029   -0.0030
            Z     0.0036    0.0004    0.0000    0.0000    0.0000    0.0000
 AT.  21 CA X     0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
            Y    -0.0001    0.0000    0.0000    0.0000    0.0000   -0.0001
            Z    -0.0001    0.0003    0.0002    0.0002    0.0004    0.0003
 AT.  22 CA X     0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
            Y     0.0001    0.0000    0.0000    0.0000    0.0000    0.0001
            Z    -0.0001   -0.0003    0.0002   -0.0002   -0.0004    0.0003
 AT.  23 CA X     0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
            Y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0001
            Z    -0.0001   -0.0003   -0.0002    0.0002    0.0004   -0.0003
 AT.  24 CA X     0.0000   -0.0001    0.0000    0.0000    0.0000    0.0000
            Y     0.0001    0.0000    0.0000    0.0000    0.0000   -0.0001
            Z    -0.0001    0.0003   -0.0002   -0.0002   -0.0004   -0.0003
 AT.  25 CA X     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000
            Y     0.0001    0.0000    0.0000    0.0000    0.0000   -0.0001
            Z     0.0001   -0.0003   -0.0002    0.0002   -0.0004    0.0003
 AT.  26 CA X     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000
            Y    -0.0001    0.0000    0.0000    0.0000    0.0000    0.0001
            Z     0.0001    0.0003   -0.0002   -0.0002    0.0004    0.0003
 AT.  27 CA X     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000
            Y     0.0001    0.0000    0.0000    0.0000    0.0000    0.0001
            Z     0.0001    0.0003    0.0002    0.0002   -0.0004   -0.0003
 AT.  28 CA X     0.0000    0.0001    0.0000    0.0000    0.0000    0.0000
            Y    -0.0001    0.0000    0.0000    0.0000    0.0000   -0.0001
            Z     0.0001   -0.0003    0.0002   -0.0002    0.0004   -0.0003
 AT.  29 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0001
            Y     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0003
            Z     0.0000    0.0000    0.0000    0.0001    0.0000    0.0001
 AT.  30 CA X     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001
            Y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0003
            Z     0.0000    0.0000    0.0000   -0.0001    0.0000    0.0001
 AT.  31 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0001
            Y     0.0000    0.0000    0.0000    0.0000    0.0000    0.0003
            Z     0.0000    0.0000    0.0000    0.0001    0.0000   -0.0001
 AT.  32 CA X     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0001
            Y     0.0000    0.0000    0.0000    0.0000    0.0000   -0.0003
            Z     0.0000    0.0000    0.0000   -0.0001    0.0000   -0.0001
 AT.  33 CA X    -0.0004    0.0005    0.0003    0.0003    0.0003    0.0003
            Y     0.0001    0.0000   -0.0002   -0.0002   -0.0006   -0.0007
            Z     0.0000    0.0003    0.0002    0.0002   -0.0002   -0.0001
 AT.  34 CA X     0.0004    0.0005   -0.0003    0.0003    0.0003   -0.0003
            Y    -0.0001    0.0000    0.0002   -0.0002   -0.0006    0.0007
            Z     0.0000   -0.0003    0.0002   -0.0002    0.0002   -0.0001
 AT.  35 CA X     0.0004    0.0005    0.0003   -0.0003   -0.0003    0.0003
            Y     0.0001    0.0000    0.0002   -0.0002   -0.0006    0.0007
            Z     0.0000   -0.0003   -0.0002    0.0002   -0.0002    0.0001
 AT.  36 CA X    -0.0004    0.0005   -0.0003   -0.0003   -0.0003   -0.0003
            Y    -0.0001    0.0000   -0.0002   -0.0002   -0.0006   -0.0007
            Z     0.0000    0.0003   -0.0002   -0.0002    0.0002    0.0001
 AT.  37 CA X     0.0004   -0.0005   -0.0003    0.0003   -0.0003    0.0003
            Y    -0.0001    0.0000    0.0002   -0.0002    0.0006   -0.0007
            Z     0.0000   -0.0003   -0.0002    0.0002    0.0002   -0.0001
 AT.  38 CA X    -0.0004   -0.0005    0.0003    0.0003   -0.0003   -0.0003
            Y     0.0001    0.0000   -0.0002   -0.0002    0.0006    0.0007
            Z     0.0000    0.0003   -0.0002   -0.0002   -0.0002   -0.0001
 AT.  39 CA X    -0.0004   -0.0005   -0.0003   -0.0003    0.0003    0.0003
            Y    -0.0001    0.0000   -0.0002   -0.0002    0.0006    0.0007
            Z     0.0000    0.0003    0.0002    0.0002    0.0002    0.0001
 AT.  40 CA X     0.0004   -0.0005    0.0003   -0.0003    0.0003   -0.0003
            Y     0.0001    0.0000    0.0002   -0.0002    0.0006   -0.0007
            Z     0.0000   -0.0003    0.0002   -0.0002   -0.0002    0.0001
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            Y     0.0051    0.0004   -0.0090   -0.0092    0.0034    0.0035
            Z    -0.0045   -0.0008    0.0098    0.0100   -0.0025   -0.0026
 AT. 123 O  X     0.0051    0.0000    0.0095    0.0097   -0.0025   -0.0026
            Y    -0.0051   -0.0004   -0.0090   -0.0092    0.0034    0.0035
            Z    -0.0045   -0.0008   -0.0098   -0.0100    0.0025    0.0026
 AT. 124 O  X    -0.0051    0.0000   -0.0095    0.0097   -0.0025    0.0026
            Y     0.0051   -0.0004    0.0090   -0.0092    0.0034   -0.0035
            Z    -0.0045    0.0008   -0.0098    0.0100   -0.0025    0.0026

 FREQ(CM**-1)   1014.18   1014.49   1037.68   1038.01   1047.09   1059.74

 AT.   1 SI X     0.0004    0.0001   -0.0001    0.0003    0.0000   -0.0001
            Y     0.0007    0.0013    0.0012   -0.0017   -0.0001    0.0001
            Z     0.0018    0.0012    0.0017   -0.0011   -0.0027    0.0000
 AT.   2 SI X     0.0004   -0.0001    0.0001    0.0003    0.0000   -0.0001
            Y     0.0007   -0.0013   -0.0012   -0.0017    0.0001    0.0001
            Z    -0.0018    0.0012    0.0017    0.0011   -0.0027    0.0000
 AT.   3 SI X    -0.0004    0.0001    0.0001    0.0003    0.0000   -0.0001
            Y     0.0007   -0.0013    0.0012    0.0017   -0.0001   -0.0001
            Z     0.0018   -0.0012    0.0017    0.0011   -0.0027    0.0000
 AT.   4 SI X    -0.0004   -0.0001   -0.0001    0.0003    0.0000   -0.0001
            Y     0.0007    0.0013   -0.0012    0.0017    0.0001   -0.0001
            Z    -0.0018   -0.0012    0.0017   -0.0011   -0.0027    0.0000
 AT.   5 SI X    -0.0004    0.0001    0.0001    0.0003    0.0000    0.0001
            Y    -0.0007    0.0013   -0.0012   -0.0017   -0.0001   -0.0001
            Z    -0.0018    0.0012   -0.0017   -0.0011   -0.0027    0.0000
 AT.   6 SI X    -0.0004   -0.0001   -0.0001    0.0003    0.0000    0.0001
            Y    -0.0007   -0.0013    0.0012   -0.0017    0.0001   -0.0001
            Z     0.0018    0.0012   -0.0017    0.0011   -0.0027    0.0000
 AT.   7 SI X     0.0004    0.0001   -0.0001    0.0003    0.0000    0.0001
            Y    -0.0007   -0.0013   -0.0012    0.0017   -0.0001    0.0001
            Z    -0.0018   -0.0012   -0.0017    0.0011   -0.0027    0.0000
 AT.   8 SI X     0.0004   -0.0001    0.0001    0.0003    0.0000    0.0001
            Y    -0.0007    0.0013    0.0012    0.0017    0.0001    0.0001
            Z     0.0018   -0.0012   -0.0017   -0.0011   -0.0027    0.0000
 AT.   9 SI X    -0.0013   -0.0014    0.0034   -0.0033    0.0022   -0.0011
            Y     0.0050    0.0050    0.0052   -0.0053    0.0000   -0.0004
            Z     0.0041    0.0042    0.0009   -0.0010    0.0005   -0.0025
 AT.  10 SI X    -0.0013    0.0014   -0.0034   -0.0033   -0.0022   -0.0011
            Y     0.0050   -0.0050   -0.0052   -0.0053    0.0000   -0.0004
            Z    -0.0041    0.0042    0.0009    0.0010    0.0005    0.0025
 AT.  11 SI X     0.0013   -0.0014   -0.0034   -0.0033   -0.0022   -0.0011
            Y     0.0050   -0.0050    0.0052    0.0053    0.0000    0.0004
            Z     0.0041   -0.0042    0.0009    0.0010    0.0005    0.0025
 AT.  12 SI X     0.0013    0.0014    0.0034   -0.0033    0.0022   -0.0011
            Y     0.0050    0.0050   -0.0052    0.0053    0.0000    0.0004
            Z    -0.0041   -0.0042    0.0009   -0.0010    0.0005   -0.0025
 AT.  13 SI X     0.0013   -0.0014   -0.0034   -0.0033    0.0022    0.0011
            Y    -0.0050    0.0050   -0.0052   -0.0053    0.0000    0.0004
            Z    -0.0041    0.0042   -0.0009   -0.0010    0.0005    0.0025
 AT.  14 SI X     0.0013    0.0014    0.0034   -0.0033   -0.0022    0.0011
            Y    -0.0050   -0.0050    0.0052   -0.0053    0.0000    0.0004
            Z     0.0041    0.0042   -0.0009    0.0010    0.0005   -0.0025
 AT.  15 SI X    -0.0013   -0.0014    0.0034   -0.0033   -0.0022    0.0011
            Y    -0.0050   -0.0050   -0.0052    0.0053    0.0000   -0.0004
            Z    -0.0041   -0.0042   -0.0009    0.0010    0.0005   -0.0025
 AT.  16 SI X    -0.0013    0.0014   -0.0034   -0.0033    0.0022    0.0011
            Y    -0.0050    0.0050    0.0052    0.0053    0.0000   -0.0004
            Z     0.0041   -0.0042   -0.0009   -0.0010    0.0005    0.0025
 AT.  17 SI X     0.0000    0.0000    0.0121   -0.0121    0.0121   -0.0112
            Y     0.0188    0.0187    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0153   -0.0153    0.0169   -0.0175
 AT.  18 SI X     0.0000    0.0000   -0.0121   -0.0121   -0.0121   -0.0112
            Y     0.0188   -0.0187    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0153    0.0153    0.0169    0.0175
 AT.  19 SI X     0.0000    0.0000   -0.0121   -0.0121    0.0121    0.0112
            Y    -0.0188    0.0187    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0153   -0.0153    0.0169    0.0175
 AT.  20 SI X     0.0000    0.0000    0.0121   -0.0121   -0.0121    0.0112
            Y    -0.0188   -0.0187    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0153    0.0153    0.0169   -0.0175
 AT.  21 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y     0.0003    0.0002    0.0001   -0.0001    0.0000    0.0000
            Z    -0.0001    0.0000   -0.0003    0.0002   -0.0005    0.0000
 AT.  22 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y     0.0003   -0.0002   -0.0001   -0.0001    0.0000    0.0000
            Z     0.0001    0.0000   -0.0003   -0.0002   -0.0005    0.0000
 AT.  23 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y     0.0003   -0.0002    0.0001    0.0001    0.0000    0.0000
            Z    -0.0001    0.0000   -0.0003   -0.0002   -0.0005    0.0000
 AT.  24 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y     0.0003    0.0002   -0.0001    0.0001    0.0000    0.0000
            Z     0.0001    0.0000   -0.0003    0.0002   -0.0005    0.0000
 AT.  25 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y    -0.0003    0.0002   -0.0001   -0.0001    0.0000    0.0000
            Z     0.0001    0.0000    0.0003    0.0002   -0.0005    0.0000
 AT.  26 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y    -0.0003   -0.0002    0.0001   -0.0001    0.0000    0.0000
            Z    -0.0001    0.0000    0.0003   -0.0002   -0.0005    0.0000
 AT.  27 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y    -0.0003   -0.0002   -0.0001    0.0001    0.0000    0.0000
            Z     0.0001    0.0000    0.0003   -0.0002   -0.0005    0.0000
 AT.  28 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y    -0.0003    0.0002    0.0001    0.0001    0.0000    0.0000
            Z    -0.0001    0.0000    0.0003    0.0002   -0.0005    0.0000
 AT.  29 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0002    0.0000   -0.0003    0.0000    0.0000
            Z     0.0000    0.0001    0.0000    0.0000   -0.0005    0.0000
 AT.  30 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y     0.0000   -0.0002    0.0000   -0.0003    0.0000    0.0000
            Z     0.0000    0.0001    0.0000    0.0000   -0.0005    0.0000
 AT.  31 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y     0.0000   -0.0002    0.0000    0.0003    0.0000    0.0000
            Z     0.0000   -0.0001    0.0000    0.0000   -0.0005    0.0000
 AT.  32 CA X     0.0000    0.0000    0.0000    0.0000    0.0000    0.0000
            Y     0.0000    0.0002    0.0000    0.0003    0.0000    0.0000
            Z     0.0000   -0.0001    0.0000    0.0000   -0.0005    0.0000
 AT.  33 CA X     0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001
            Y     0.0004    0.0004    0.0006   -0.0006   -0.0001    0.0001
            Z     0.0006    0.0006    0.0002   -0.0002   -0.0004   -0.0001
 AT.  34 CA X     0.0000    0.0000    0.0000    0.0000    0.0001    0.0001
            Y     0.0004   -0.0004   -0.0006   -0.0006    0.0001    0.0001
            Z    -0.0006    0.0006    0.0002    0.0002   -0.0004    0.0001
 AT.  35 CA X     0.0000    0.0000    0.0000    0.0000    0.0001    0.0001
            Y     0.0004   -0.0004    0.0006    0.0006   -0.0001   -0.0001
            Z     0.0006   -0.0006    0.0002    0.0002   -0.0004    0.0001
 AT.  36 CA X     0.0000    0.0000    0.0000    0.0000   -0.0001    0.0001
            Y     0.0004    0.0004   -0.0006    0.0006    0.0001   -0.0001
            Z    -0.0006   -0.0006    0.0002   -0.0002   -0.0004   -0.0001
 AT.  37 CA X     0.0000    0.0000    0.0000    0.0000   -0.0001   -0.0001
            Y    -0.0004    0.0004   -0.0006   -0.0006   -0.0001   -0.0001
            Z    -0.0006    0.0006   -0.0002   -0.0002   -0.0004    0.0001
 AT.  38 CA X     0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
            Y    -0.0004   -0.0004    0.0006   -0.0006    0.0001   -0.0001
            Z     0.0006    0.0006   -0.0002    0.0002   -0.0004   -0.0001
 AT.  39 CA X     0.0000    0.0000    0.0000    0.0000    0.0001   -0.0001
            Y    -0.0004   -0.0004   -0.0006    0.0006   -0.0001    0.0001
            Z    -0.0006   -0.0006   -0.0002    0.0002   -0.0004   -0.0001
 AT.  40 CA X     0.0000    0.0000    0.0000    0.0000   -0.0001   -0.0001
            Y    -0.0004    0.0004    0.0006    0.0006    0.0001    0.0001
            Z     0.0006   -0.0006   -0.0002   -0.0002   -0.0004    0.0001
 AT.  41 CA X     0.0002    0.0002    0.0000    0.0000    0.0000    0.0001
            Y    -0.0009   -0.0009    0.0001   -0.0001   -0.0001    0.0001
            Z    -0.0002   -0.0002   -0.0001    0.0002    0.0002   -0.0007
 AT.  42 CA X     0.0002   -0.0002    0.0000    0.0000    0.0000    0.0001
            Y    -0.0009    0.0009   -0.0001   -0.0001    0.0001    0.0001
            Z     0.0002   -0.0002   -0.0001   -0.0002    0.0002    0.0007
 AT.  43 CA X    -0.0002    0.0002    0.0000    0.0000    0.0000    0.0001
            Y    -0.0009    0.0009    0.0001    0.0001   -0.0001   -0.0001
            Z    -0.0002    0.0002   -0.0001   -0.0002    0.0002    0.0007
 AT.  44 CA X    -0.0002   -0.0002    0.0000    0.0000    0.0000    0.0001
            Y    -0.0009   -0.0009   -0.0001    0.0001    0.0001   -0.0001
            Z     0.0002    0.0002   -0.0001    0.0002    0.0002   -0.0007
 AT.  45 CA X    -0.0002    0.0002    0.0000    0.0000    0.0000   -0.0001
            Y     0.0009   -0.0009   -0.0001   -0.0001   -0.0001   -0.0001
            Z     0.0002   -0.0002    0.0001    0.0002    0.0002    0.0007
 AT.  46 CA X    -0.0002   -0.0002    0.0000    0.0000    0.0000   -0.0001
            Y     0.0009    0.0009    0.0001   -0.0001    0.0001   -0.0001
            Z    -0.0002   -0.0002    0.0001   -0.0002    0.0002   -0.0007
 AT.  47 CA X     0.0002    0.0002    0.0000    0.0000    0.0000   -0.0001
            Y     0.0009    0.0009   -0.0001    0.0001   -0.0001    0.0001
            Z     0.0002    0.0002    0.0001   -0.0002    0.0002   -0.0007
 AT.  48 CA X     0.0002   -0.0002    0.0000    0.0000    0.0000   -0.0001
            Y     0.0009   -0.0009    0.0001    0.0001    0.0001    0.0001
            Z    -0.0002    0.0002    0.0001    0.0002    0.0002    0.0007
 AT.  49 CA X     0.0000    0.0000    0.0001   -0.0001   -0.0004    0.0004
            Y     0.0005    0.0005    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0005    0.0005    0.0013   -0.0016
 AT.  50 CA X     0.0000    0.0000   -0.0001   -0.0001    0.0004    0.0004
            Y     0.0005   -0.0005    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000   -0.0005   -0.0005    0.0013    0.0016
 AT.  51 CA X     0.0000    0.0000   -0.0001   -0.0001   -0.0004   -0.0004
            Y    -0.0005    0.0005    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0005    0.0005    0.0013    0.0016
 AT.  52 CA X     0.0000    0.0000    0.0001   -0.0001    0.0004   -0.0004
            Y    -0.0005   -0.0005    0.0000    0.0000    0.0000    0.0000
            Z     0.0000    0.0000    0.0005   -0.0005    0.0013   -0.0016
 AT.  53 O  X    -0.0001   -0.0002   -0.0002    0.0003    0.0000    0.0000
            Y    -0.0013   -0.0018   -0.0013    0.0019   -0.0001    0.0000
            Z    -0.0004   -0.0005   -0.0001    0.0001    0.0010    0.0001
 AT.  54 O  X    -0.0001    0.0002    0.0002    0.0003    0.0000    0.0000
            Y    -0.0013    0.0018    0.0013    0.0019    0.0001    0.0000
            Z     0.0004   -0.0005   -0.0001   -0.0001    0.0010   -0.0001
 AT.  55 O  X     0.0001   -0.0002    0.0002    0.0003    0.0000    0.0000
            Y    -0.0013    0.0018   -0.0013   -0.0019   -0.0001    0.0000
            Z    -0.0004    0.0005   -0.0001   -0.0001    0.0010   -0.0001
 AT.  56 O  X     0.0001    0.0002   -0.0002    0.0003    0.0000    0.0000
            Y    -0.0013   -0.0018    0.0013   -0.0019    0.0001    0.0000
            Z     0.0004    0.0005   -0.0001    0.0001    0.0010    0.0001
 AT.  57 O  X     0.0001   -0.0002    0.0002    0.0003    0.0000    0.0000
            Y     0.0013   -0.0018    0.0013    0.0019   -0.0001    0.0000
            Z     0.0004   -0.0005    0.0001    0.0001    0.0010   -0.0001
 AT.  58 O  X     0.0001    0.0002   -0.0002    0.0003    0.0000    0.0000
            Y     0.0013    0.0018   -0.0013    0.0019    0.0001    0.0000
            Z    -0.0004   -0.0005    0.0001   -0.0001    0.0010    0.0001
 AT.  59 O  X    -0.0001   -0.0002   -0.0002    0.0003    0.0000    0.0000
            Y     0.0013    0.0018    0.0013   -0.0019   -0.0001    0.0000
            Z     0.0004    0.0005    0.0001   -0.0001    0.0010    0.0001
 AT.  60 O  X    -0.0001    0.0002    0.0002    0.0003    0.0000    0.0000
            Y     0.0013   -0.0018   -0.0013   -0.0019    0.0001    0.0000
            Z    -0.0004    0.0005    0.0001    0.0001    0.0010   -0.0001
 AT.  61 O  X     0.0005    0.0005    0.0006   -0.0005   -0.0007    0.0001
            Y    -0.0006   -0.0007   -0.0014    0.0014    0.0011   -0.0001
            Z    -0.0020   -0.0019   -0.0025    0.0023    0.0028    0.0000
 AT.  62 O  X     0.0005   -0.0005   -0.0006   -0.0005    0.0007    0.0001
            Y    -0.0006    0.0007    0.0014    0.0014   -0.0011   -0.0001
            Z     0.0020   -0.0019   -0.0025   -0.0023    0.0028    0.0000
 AT.  63 O  X    -0.0005    0.0005   -0.0006   -0.0005    0.0007    0.0001
            Y    -0.0006    0.0007   -0.0014   -0.0014    0.0011    0.0001
            Z    -0.0020    0.0019   -0.0025   -0.0023    0.0028    0.0000
 AT.  64 O  X    -0.0005   -0.0005    0.0006   -0.0005   -0.0007    0.0001
            Y    -0.0006   -0.0007    0.0014   -0.0014   -0.0011    0.0001
            Z     0.0020    0.0019   -0.0025    0.0023    0.0028    0.0000
 AT.  65 O  X    -0.0005    0.0005   -0.0006   -0.0005   -0.0007   -0.0001
            Y     0.0006   -0.0007    0.0014    0.0014    0.0011    0.0001
            Z     0.0020   -0.0019    0.0025    0.0023    0.0028    0.0000
 AT.  66 O  X    -0.0005   -0.0005    0.0006   -0.0005    0.0007   -0.0001
            Y     0.0006    0.0007   -0.0014    0.0014   -0.0011    0.0001
            Z    -0.0020   -0.0019    0.0025   -0.0023    0.0028    0.0000
 AT.  67 O  X     0.0005    0.0005    0.0006   -0.0005    0.0007   -0.0001
            Y     0.0006    0.0007    0.0014   -0.0014    0.0011   -0.0001
            Z     0.0020    0.0019    0.0025   -0.0023    0.0028    0.0000
 AT.  68 O  X     0.0005   -0.0005   -0.0006   -0.0005   -0.0007   -0.0001
            Y     0.0006   -0.0007   -0.0014   -0.0014   -0.0011   -0.0001
            Z    -0.0020    0.0019    0.0025    0.0023    0.0028    0.0000
 AT.  69 O  X    -0.0004   -0.0002   -0.0002    0.0000    0.0006    0.0000
            Y     0.0006   -0.0002    0.0002    0.0004   -0.0009    0.0000
            Z    -0.0016   -0.0004   -0.0011    0.0000    0.0027    0.0000
 AT.  70 O  X    -0.0004    0.0002    0.0002    0.0000   -0.0006    0.0000
            Y     0.0006    0.0002   -0.0002    0.0004    0.0009    0.0000
            Z     0.0016   -0.0004   -0.0011    0.0000    0.0027    0.0000
 AT.  71 O  X     0.0004   -0.0002    0.0002    0.0000   -0.0006    0.0000
            Y     0.0006    0.0002    0.0002   -0.0004   -0.0009    0.0000
            Z    -0.0016    0.0004   -0.0011    0.0000    0.0027    0.0000
 AT.  72 O  X     0.0004    0.0002   -0.0002    0.0000    0.0006    0.0000
            Y     0.0006   -0.0002   -0.0002   -0.0004    0.0009    0.0000
            Z     0.0016    0.0004   -0.0011    0.0000    0.0027    0.0000
 AT.  73 O  X     0.0004   -0.0002    0.0002    0.0000    0.0006    0.0000
            Y    -0.0006   -0.0002   -0.0002    0.0004   -0.0009    0.0000
            Z     0.0016   -0.0004    0.0011    0.0000    0.0027    0.0000
 AT.  74 O  X     0.0004    0.0002   -0.0002    0.0000   -0.0006    0.0000
            Y    -0.0006    0.0002    0.0002    0.0004    0.0009    0.0000
            Z    -0.0016   -0.0004    0.0011    0.0000    0.0027    0.0000
 AT.  75 O  X    -0.0004   -0.0002   -0.0002    0.0000   -0.0006    0.0000
            Y    -0.0006    0.0002   -0.0002   -0.0004   -0.0009    0.0000
            Z     0.0016    0.0004    0.0011    0.0000    0.0027    0.0000
 AT.  76 O  X    -0.0004    0.0002    0.0002    0.0000    0.0006    0.0000
            Y    -0.0006   -0.0002    0.0002   -0.0004    0.0009    0.0000
            Z    -0.0016    0.0004    0.0011    0.0000    0.0027    0.0000
 AT.  77 O  X    -0.0005   -0.0001    0.0001   -0.0003    0.0000    0.0001
            Y    -0.0002   -0.0004   -0.0004    0.0006    0.0000    0.0000
            Z    -0.0007   -0.0006   -0.0005    0.0003    0.0010    0.0001
 AT.  78 O  X    -0.0005    0.0001   -0.0001   -0.0003    0.0000    0.0001
            Y    -0.0002    0.0004    0.0004    0.0006    0.0000    0.0000
            Z     0.0007   -0.0006   -0.0005   -0.0003    0.0010   -0.0001
 AT.  79 O  X     0.0005   -0.0001   -0.0001   -0.0003    0.0000    0.0001
            Y    -0.0002    0.0004   -0.0004   -0.0006    0.0000    0.0000
            Z    -0.0007    0.0006   -0.0005   -0.0003    0.0010   -0.0001
 AT.  80 O  X     0.0005    0.0001    0.0001   -0.0003    0.0000    0.0001
            Y    -0.0002   -0.0004    0.0004   -0.0006    0.0000    0.0000
            Z     0.0007    0.0006   -0.0005    0.0003    0.0010    0.0001
 AT.  81 O  X     0.0005   -0.0001   -0.0001   -0.0003    0.0000   -0.0001
            Y     0.0002   -0.0004    0.0004    0.0006    0.0000    0.0000
            Z     0.0007   -0.0006    0.0005    0.0003    0.0010   -0.0001
 AT.  82 O  X     0.0005    0.0001    0.0001   -0.0003    0.0000   -0.0001
            Y     0.0002    0.0004   -0.0004    0.0006    0.0000    0.0000
            Z    -0.0007   -0.0006    0.0005   -0.0003    0.0010    0.0001
 AT.  83 O  X    -0.0005   -0.0001    0.0001   -0.0003    0.0000   -0.0001
            Y     0.0002    0.0004    0.0004   -0.0006    0.0000    0.0000
            Z     0.0007    0.0006    0.0005   -0.0003    0.0010    0.0001
 AT.  84 O  X    -0.0005    0.0001   -0.0001   -0.0003    0.0000   -0.0001
            Y     0.0002   -0.0004   -0.0004   -0.0006    0.0000    0.0000
            Z    -0.0007    0.0006    0.0005    0.0003    0.0010   -0.0001
 AT.  85 O  X     0.0027    0.0027    0.0004   -0.0005   -0.0002   -0.0006
            Y    -0.0044   -0.0044   -0.0016    0.0017    0.0001    0.0009
            Z    -0.0067   -0.0069   -0.0006    0.0008    0.0010    0.0015
 AT.  86 O  X     0.0027   -0.0027   -0.0004   -0.0005    0.0002   -0.0006
            Y    -0.0044    0.0044    0.0016    0.0017   -0.0001    0.0009
            Z     0.0067   -0.0069   -0.0006   -0.0008    0.0010   -0.0015
 AT.  87 O  X    -0.0027    0.0027   -0.0004   -0.0005    0.0002   -0.0006
            Y    -0.0044    0.0044   -0.0016   -0.0017    0.0001   -0.0009
            Z    -0.0067    0.0069   -0.0006   -0.0008    0.0010   -0.0015
 AT.  88 O  X    -0.0027   -0.0027    0.0004   -0.0005   -0.0002   -0.0006
            Y    -0.0044   -0.0044    0.0016   -0.0017   -0.0001   -0.0009
            Z     0.0067    0.0069   -0.0006    0.0008    0.0010    0.0015
 AT.  89 O  X    -0.0027    0.0027   -0.0004   -0.0005   -0.0002    0.0006
            Y     0.0044   -0.0044    0.0016    0.0017    0.0001   -0.0009
            Z     0.0067   -0.0069    0.0006    0.0008    0.0010   -0.0015
 AT.  90 O  X    -0.0027   -0.0027    0.0004   -0.0005    0.0002    0.0006
            Y     0.0044    0.0044   -0.0016    0.0017   -0.0001   -0.0009
            Z    -0.0067   -0.0069    0.0006   -0.0008    0.0010    0.0015
 AT.  91 O  X     0.0027    0.0027    0.0004   -0.0005    0.0002    0.0006
            Y     0.0044    0.0044    0.0016   -0.0017    0.0001    0.0009
            Z     0.0067    0.0069    0.0006   -0.0008    0.0010    0.0015
 AT.  92 O  X     0.0027   -0.0027   -0.0004   -0.0005   -0.0002    0.0006
            Y     0.0044   -0.0044   -0.0016   -0.0017   -0.0001    0.0009
            Z    -0.0067    0.0069    0.0006    0.0008    0.0010   -0.0015
 AT.  93 O  X    -0.0013   -0.0013   -0.0024    0.0024   -0.0006    0.0006
            Y    -0.0030   -0.0031   -0.0076    0.0077   -0.0005    0.0008
            Z    -0.0019   -0.0019   -0.0007    0.0007   -0.0005    0.0012
 AT.  94 O  X    -0.0013    0.0013    0.0024    0.0024    0.0006    0.0006
            Y    -0.0030    0.0031    0.0076    0.0077    0.0005    0.0008
            Z     0.0019   -0.0019   -0.0007   -0.0007   -0.0005   -0.0012
 AT.  95 O  X     0.0013   -0.0013    0.0024    0.0024    0.0006    0.0006
            Y    -0.0030    0.0031   -0.0076   -0.0077   -0.0005   -0.0008
            Z    -0.0019    0.0019   -0.0007   -0.0007   -0.0005   -0.0012
 AT.  96 O  X     0.0013    0.0013   -0.0024    0.0024   -0.0006    0.0006
            Y    -0.0030   -0.0031    0.0076   -0.0077    0.0005   -0.0008
            Z     0.0019    0.0019   -0.0007    0.0007   -0.0005    0.0012
 AT.  97 O  X     0.0013   -0.0013    0.0024    0.0024   -0.0006   -0.0006
            Y     0.0030   -0.0031    0.0076    0.0077   -0.0005   -0.0008
            Z     0.0019   -0.0019    0.0007    0.0007   -0.0005   -0.0012
 AT.  98 O  X     0.0013    0.0013   -0.0024    0.0024    0.0006   -0.0006
            Y     0.0030    0.0031   -0.0076    0.0077    0.0005   -0.0008
            Z    -0.0019   -0.0019    0.0007   -0.0007   -0.0005    0.0012
 AT.  99 O  X    -0.0013   -0.0013   -0.0024    0.0024    0.0006   -0.0006
            Y     0.0030    0.0031    0.0076   -0.0077   -0.0005    0.0008
            Z     0.0019    0.0019    0.0007   -0.0007   -0.0005    0.0012
 AT. 100 O  X    -0.0013    0.0013    0.0024    0.0024   -0.0006   -0.0006
            Y     0.0030   -0.0031   -0.0076   -0.0077    0.0005    0.0008
            Z    -0.0019    0.0019    0.0007    0.0007   -0.0005   -0.0012
 AT. 101 O  X    -0.0032   -0.0032   -0.0001    0.0001    0.0000   -0.0002
            Y    -0.0075   -0.0074    0.0004   -0.0004    0.0023   -0.0032
            Z     0.0049    0.0048   -0.0021    0.0021   -0.0044    0.0060
 AT. 102 O  X    -0.0032    0.0032    0.0001    0.0001    0.0000   -0.0002
            Y    -0.0075    0.0074   -0.0004   -0.0004   -0.0023   -0.0032
            Z    -0.0049    0.0048   -0.0021   -0.0021   -0.0044   -0.0060
 AT. 103 O  X     0.0032   -0.0032    0.0001    0.0001    0.0000   -0.0002
            Y    -0.0075    0.0074    0.0004    0.0004    0.0023    0.0032
            Z     0.0049   -0.0048   -0.0021   -0.0021   -0.0044   -0.0060
 AT. 104 O  X     0.0032    0.0032   -0.0001    0.0001    0.0000   -0.0002
            Y    -0.0075   -0.0074   -0.0004    0.0004   -0.0023    0.0032
            Z    -0.0049   -0.0048   -0.0021    0.0021   -0.0044    0.0060
 AT. 105 O  X     0.0032   -0.0032    0.0001    0.0001    0.0000    0.0002
            Y     0.0075   -0.0074   -0.0004   -0.0004    0.0023    0.0032
            Z    -0.0049    0.0048    0.0021    0.0021   -0.0044   -0.0060
 AT. 106 O  X     0.0032    0.0032   -0.0001    0.0001    0.0000    0.0002
            Y     0.0075    0.0074    0.0004   -0.0004   -0.0023    0.0032
            Z     0.0049    0.0048    0.0021   -0.0021   -0.0044    0.0060
 AT. 107 O  X    -0.0032   -0.0032   -0.0001    0.0001    0.0000    0.0002
            Y     0.0075    0.0074   -0.0004    0.0004    0.0023   -0.0032
            Z    -0.0049   -0.0048    0.0021   -0.0021   -0.0044    0.0060
 AT. 108 O  X    -0.0032    0.0032    0.0001    0.0001    0.0000    0.0002
            Y     0.0075   -0.0074    0.0004    0.0004   -0.0023   -0.0032
            Z     0.0049   -0.0048    0.0021    0.0021   -0.0044   -0.0060
 AT. 109 O  X     0.0006    0.0006   -0.0029    0.0028   -0.0018    0.0008
            Y    -0.0017   -0.0017   -0.0020    0.0020   -0.0001    0.0001
            Z    -0.0013   -0.0013    0.0001   -0.0001   -0.0001    0.0009
 AT. 110 O  X     0.0006   -0.0006    0.0029    0.0028    0.0018    0.0008
            Y    -0.0017    0.0017    0.0020    0.0020    0.0001    0.0001
            Z     0.0013   -0.0013    0.0001    0.0001   -0.0001   -0.0009
 AT. 111 O  X    -0.0006    0.0006    0.0029    0.0028    0.0018    0.0008
            Y    -0.0017    0.0017   -0.0020   -0.0020   -0.0001   -0.0001
            Z    -0.0013    0.0013    0.0001    0.0001   -0.0001   -0.0009
 AT. 112 O  X    -0.0006   -0.0006   -0.0029    0.0028   -0.0018    0.0008
            Y    -0.0017   -0.0017    0.0020   -0.0020    0.0001   -0.0001
            Z     0.0013    0.0013    0.0001   -0.0001   -0.0001    0.0009
 AT. 113 O  X    -0.0006    0.0006    0.0029    0.0028   -0.0018   -0.0008
            Y     0.0017   -0.0017    0.0020    0.0020   -0.0001   -0.0001
            Z     0.0013   -0.0013   -0.0001   -0.0001   -0.0001   -0.0009
 AT. 114 O  X    -0.0006   -0.0006   -0.0029    0.0028    0.0018   -0.0008
            Y     0.0017    0.0017   -0.0020    0.0020    0.0001   -0.0001
            Z    -0.0013   -0.0013   -0.0001    0.0001   -0.0001    0.0009
 AT. 115 O  X     0.0006    0.0006   -0.0029    0.0028    0.0018   -0.0008
            Y     0.0017    0.0017    0.0020   -0.0020   -0.0001    0.0001
            Z     0.0013    0.0013   -0.0001    0.0001   -0.0001    0.0009
 AT. 116 O  X     0.0006   -0.0006    0.0029    0.0028   -0.0018   -0.0008
            Y     0.0017   -0.0017   -0.0020   -0.0020    0.0001    0.0001
            Z    -0.0013    0.0013   -0.0001   -0.0001   -0.0001   -0.0009
 AT. 117 O  X    -0.0104   -0.0103   -0.0116    0.0116   -0.0123    0.0121
            Y    -0.0112   -0.0113   -0.0099    0.0099   -0.0103    0.0098
            Z    -0.0105   -0.0105   -0.0129    0.0129   -0.0137    0.0139
 AT. 118 O  X    -0.0104    0.0103    0.0116    0.0116    0.0123    0.0121
            Y    -0.0112    0.0113    0.0099    0.0099    0.0103    0.0098
            Z     0.0105   -0.0105   -0.0129   -0.0129   -0.0137   -0.0139
 AT. 119 O  X     0.0104   -0.0103    0.0116    0.0116    0.0123    0.0121
            Y    -0.0112    0.0113   -0.0099   -0.0099   -0.0103   -0.0098
            Z    -0.0105    0.0105   -0.0129   -0.0129   -0.0137   -0.0139
 AT. 120 O  X     0.0104    0.0103   -0.0116    0.0116   -0.0123    0.0121
            Y    -0.0112   -0.0113    0.0099   -0.0099    0.0103   -0.0098
            Z     0.0105    0.0105   -0.0129    0.0129   -0.0137    0.0139
 AT. 121 O  X     0.0104   -0.0103    0.0116    0.0116   -0.0123   -0.0121
            Y     0.0112   -0.0113    0.0099    0.0099   -0.0103   -0.0098
            Z     0.0105   -0.0105    0.0129    0.0129   -0.0137   -0.0139
 AT. 122 O  X     0.0104    0.0103   -0.0116    0.0116    0.0123   -0.0121
            Y     0.0112    0.0113   -0.0099    0.0099    0.0103   -0.0098
            Z    -0.0105   -0.0105    0.0129   -0.0129   -0.0137    0.0139
 AT. 123 O  X    -0.0104   -0.0103   -0.0116    0.0116    0.0123   -0.0121
            Y     0.0112    0.0113    0.0099   -0.0099   -0.0103    0.0098
            Z     0.0105    0.0105    0.0129   -0.0129   -0.0137    0.0139
 AT. 124 O  X    -0.0104    0.0103    0.0116    0.0116   -0.0123   -0.0121
            Y     0.0112   -0.0113   -0.0099   -0.0099    0.0103    0.0098
            Z    -0.0105    0.0105    0.0129    0.0129   -0.0137   -0.0139

 *******************************************************************************

 VIBRATIONAL TEMPERATURES (K) [MODE NUMBER;IRREP]

 TO MODES
    60.9 [   4;B1U]    67.2 [   5;AG ]    71.9 [   6;AU ]    73.8 [   7;B1G]
    95.8 [   8;B3U]   108.3 [   9;B2G]   111.0 [  10;B2U]   126.8 [  11;B2G]
   131.2 [  12;B2U]   135.0 [  13;AU ]   138.3 [  14;B3G]   139.8 [  15;B3U]
   145.9 [  16;B1G]   152.5 [  17;B1U]   153.9 [  18;B1G]   160.2 [  19;B2U]
   162.6 [  20;B3G]   162.7 [  21;B1U]   169.3 [  22;B2G]   171.5 [  23;AG ]
   172.9 [  24;AU ]   173.4 [  25;B3U]   174.5 [  26;AU ]   176.5 [  27;B1G]
   177.1 [  28;B2U]   180.3 [  29;B1U]   184.1 [  30;B3G]   187.7 [  31;B2G]
   187.8 [  32;B1U]   190.9 [  33;B1G]   194.3 [  34;B2U]   203.1 [  35;B3U]
   206.3 [  36;AU ]   206.9 [  37;AG ]   208.1 [  38;B2G]   208.5 [  39;B1U]
   210.0 [  40;B2G]   211.5 [  41;B3G]   214.1 [  42;B2U]   214.9 [  43;B1G]
   215.4 [  44;AG ]   219.2 [  45;B1U]   220.7 [  46;AG ]   220.9 [  47;AU ]
   228.5 [  48;B3U]   229.3 [  49;B2U]   232.7 [  50;B3G]   232.7 [  51;B1G]
   238.8 [  52;B2G]   243.3 [  53;AG ]   249.2 [  54;B2U]   252.3 [  55;B1U]
   253.1 [  56;B2G]   253.2 [  57;B1G]   255.2 [  58;B3G]   255.9 [  59;B2U]
   257.8 [  60;AU ]   259.0 [  61;B2G]   259.5 [  62;B3G]   259.8 [  63;B3U]
   260.4 [  64;B3U]   263.0 [  65;B1U]   263.2 [  66;AU ]   266.3 [  67;B1G]
   266.4 [  68;B1U]   274.4 [  69;B1U]   275.2 [  70;AG ]   275.9 [  71;B2G]
   276.8 [  72;B3U]   277.6 [  73;B2U]   279.9 [  74;AU ]   280.2 [  75;B2U]
   281.5 [  76;AU ]   287.4 [  77;B1G]   289.7 [  78;B2G]   290.5 [  79;B1U]
   290.5 [  80;B1G]   292.0 [  81;AG ]   294.5 [  82;B3G]   295.0 [  83;B3U]
   299.7 [  84;B2G]   301.6 [  85;B2U]   302.6 [  86;AG ]   302.7 [  87;B1U]
   304.9 [  88;AU ]   306.4 [  89;B3G]   306.7 [  90;B3U]   311.1 [  91;B3U]
   311.5 [  92;B2U]   313.3 [  93;AG ]   316.3 [  94;B1G]   317.3 [  95;B3G]
   319.2 [  96;AG ]   320.1 [  97;B2U]   320.7 [  98;B1U]   323.3 [  99;B2G]
   326.8 [ 100;B1G]   327.0 [ 101;AU ]   329.4 [ 102;B1U]   332.2 [ 103;B3U]
   338.2 [ 104;AG ]   338.5 [ 105;B3U]   340.0 [ 106;AU ]   341.9 [ 107;B3G]
   345.9 [ 108;B2G]   347.5 [ 109;AG ]   348.3 [ 110;AU ]   351.4 [ 111;B3G]
   356.0 [ 112;B2U]   356.2 [ 113;B2G]   356.4 [ 114;B3U]   356.6 [ 115;B1G]
   359.6 [ 116;B2G]   360.0 [ 117;AU ]   364.8 [ 118;B1G]   365.4 [ 119;B1U]
   366.0 [ 120;B3G]   369.5 [ 121;B2U]   370.0 [ 122;B3G]   371.9 [ 123;B2U]
   372.9 [ 124;AU ]   372.9 [ 125;B3U]   373.4 [ 126;AG ]   375.1 [ 127;AG ]
   375.5 [ 128;B1G]   377.0 [ 129;B3G]   377.2 [ 130;B1U]   380.1 [ 131;B3U]
   382.4 [ 132;B2G]   384.3 [ 133;AG ]   385.4 [ 134;AU ]   386.4 [ 135;B1G]
   387.7 [ 136;B1U]   388.7 [ 137;B2U]   389.1 [ 138;AG ]   390.7 [ 139;B3U]
   393.7 [ 140;B1U]   394.6 [ 141;B1G]   395.8 [ 142;B2U]   396.0 [ 143;B3G]
   396.0 [ 144;AU ]   399.9 [ 145;B1U]   400.6 [ 146;B2G]   402.4 [ 147;B3U]
   403.2 [ 148;AU ]   405.2 [ 149;B2G]   406.4 [ 150;B3U]   407.1 [ 151;B3G]
   409.0 [ 152;B2G]   409.6 [ 153;B2U]   412.6 [ 154;AG ]   415.3 [ 155;B1U]
   416.3 [ 156;AU ]   417.5 [ 157;B1G]   422.3 [ 158;B3G]   427.2 [ 159;B2U]
   430.5 [ 160;AU ]   432.3 [ 161;AG ]   434.6 [ 162;B3G]   434.6 [ 163;B1G]
   435.9 [ 164;B3U]   437.8 [ 165;B1G]   441.2 [ 166;B2G]   441.5 [ 167;B1U]
   442.8 [ 168;B2U]   443.1 [ 169;AU ]   444.8 [ 170;B3U]   446.1 [ 171;AG ]
   446.3 [ 172;B3G]   452.5 [ 173;B2U]   456.1 [ 174;AU ]   457.2 [ 175;B2G]
   457.9 [ 176;B2U]   458.8 [ 177;B1G]   460.8 [ 178;B1G]   462.3 [ 179;AG ]
   462.8 [ 180;B1U]   463.0 [ 181;B3G]   464.6 [ 182;B3U]   472.1 [ 183;B1U]
   474.9 [ 184;AU ]   479.1 [ 185;B2G]   481.0 [ 186;B1U]   483.4 [ 187;B3G]
   486.6 [ 188;B2U]   491.2 [ 189;AG ]   491.8 [ 190;B1G]   493.1 [ 191;B3U]
   493.4 [ 192;B2G]   496.9 [ 193;B2U]   505.8 [ 194;B1U]   506.4 [ 195;AU ]
   506.6 [ 196;B3U]   506.8 [ 197;AG ]   507.9 [ 198;B1G]   508.4 [ 199;B3G]
   518.0 [ 200;AU ]   522.6 [ 201;B2G]   525.1 [ 202;B3U]   526.7 [ 203;B1U]
   530.4 [ 204;B2U]   531.0 [ 205;AG ]   541.8 [ 206;B3G]   549.9 [ 207;B1G]
   552.9 [ 208;AU ]   557.9 [ 209;B2G]   558.8 [ 210;B3U]   559.1 [ 211;B2U]
   561.0 [ 212;AG ]   563.0 [ 213;B1U]   567.2 [ 214;B2G]   569.5 [ 215;B2U]
   569.8 [ 216;B1G]   572.6 [ 217;B1U]   574.4 [ 218;B3G]   578.7 [ 219;B2G]
   581.9 [ 220;B1G]   587.0 [ 221;AG ]   589.6 [ 222;B3U]   591.0 [ 223;AU ]
   593.5 [ 224;B2U]   599.7 [ 225;B1U]   606.1 [ 226;B3G]   607.0 [ 227;B3U]
   610.2 [ 228;B1G]   611.1 [ 229;AU ]   611.5 [ 230;B2U]   612.5 [ 231;AU ]
   615.5 [ 232;B3G]   617.2 [ 233;B1U]   618.4 [ 234;B2G]   622.1 [ 235;B2U]
   625.2 [ 236;B1G]   626.2 [ 237;B2G]   628.9 [ 238;B1U]   629.0 [ 239;AG ]
   631.7 [ 240;B3U]   682.6 [ 241;B2U]   683.2 [ 242;B1U]   684.5 [ 243;AU ]
   685.5 [ 244;B1G]   686.5 [ 245;B3G]   692.6 [ 246;AG ]   693.3 [ 247;B3U]
   710.8 [ 248;AU ]   722.2 [ 249;B3G]   727.4 [ 250;B2U]   728.9 [ 251;B2G]
   735.5 [ 252;B1U]   736.0 [ 253;B3U]   736.5 [ 254;AG ]   737.3 [ 255;AU ]
   742.9 [ 256;B2U]   743.3 [ 257;B1G]   746.9 [ 258;B3U]   747.8 [ 259;B1U]
   751.4 [ 260;AU ]   752.5 [ 261;B3G]   762.4 [ 262;B2U]   763.8 [ 263;B1G]
   764.2 [ 264;B2G]   766.6 [ 265;AG ]   769.9 [ 266;B2G]   775.1 [ 267;B3U]
   776.3 [ 268;B1U]   783.2 [ 269;AG ]   789.0 [ 270;B2G]   791.7 [ 271;B3U]
   797.8 [ 272;AG ]   798.9 [ 273;AU ]   800.5 [ 274;B1G]   800.6 [ 275;B3G]
   803.8 [ 276;B3G]   806.3 [ 277;B2U]   807.5 [ 278;B1U]   809.7 [ 279;B3U]
   809.8 [ 280;AU ]   814.9 [ 281;B2G]   815.3 [ 282;AG ]   816.3 [ 283;B1U]
   816.4 [ 284;B2G]   821.3 [ 285;B1G]   823.5 [ 286;B2U]   828.6 [ 287;B3G]
   830.1 [ 288;B3U]   830.2 [ 289;AG ]   831.3 [ 290;B1G]   846.8 [ 291;AU ]
   847.6 [ 292;B3G]   959.6 [ 293;B3U]   960.5 [ 294;AG ]   976.0 [ 295;B3G]
   976.1 [ 296;AU ]  1018.0 [ 297;B1U]  1019.6 [ 298;B2U]  1019.8 [ 299;B2G]
  1019.9 [ 300;B1G]  1171.6 [ 301;B2G]  1171.8 [ 302;AG ]  1174.0 [ 303;B1U]
  1175.1 [ 304;B3U]  1177.1 [ 305;B2U]  1177.6 [ 306;B1G]  1177.9 [ 307;AU ]
  1182.0 [ 308;B2U]  1184.7 [ 309;B3G]  1188.7 [ 310;B1U]  1189.5 [ 311;B1G]
  1214.9 [ 312;B3G]  1217.3 [ 313;B3U]  1218.4 [ 314;B2G]  1218.6 [ 315;AG ]
  1219.5 [ 316;AU ]  1222.8 [ 317;B1G]  1225.2 [ 318;AG ]  1226.0 [ 319;B1U]
  1227.1 [ 320;B3G]  1230.5 [ 321;B2G]  1232.0 [ 322;B3U]  1249.0 [ 323;AU ]
  1249.0 [ 324;B2U]  1273.3 [ 325;B3G]  1275.5 [ 326;B1U]  1275.5 [ 327;B1G]
  1286.3 [ 328;B2U]  1286.5 [ 329;AG ]  1286.6 [ 330;B3U]  1286.6 [ 331;B1G]
  1289.1 [ 332;AU ]  1295.1 [ 333;B2G]  1302.9 [ 334;AG ]  1305.2 [ 335;B3G]
  1306.3 [ 336;B2G]  1307.1 [ 337;B1U]  1308.5 [ 338;B2U]  1323.0 [ 339;AU ]
  1330.9 [ 340;B3U]  1336.2 [ 341;B2G]  1336.3 [ 342;B1U]  1336.5 [ 343;B2U]
  1336.6 [ 344;AG ]  1337.1 [ 345;AU ]  1342.8 [ 346;B1G]  1342.9 [ 347;B3G]
  1351.4 [ 348;B3U]  1352.7 [ 349;B1U]  1368.9 [ 350;AG ]  1369.0 [ 351;B1G]
  1369.5 [ 352;B2G]  1374.4 [ 353;B3U]  1374.9 [ 354;B3G]  1376.6 [ 355;B2U]
  1380.7 [ 356;AU ]  1402.1 [ 357;AG ]  1404.1 [ 358;B3U]  1409.8 [ 359;B1U]
  1413.8 [ 360;B2U]  1413.8 [ 361;B1G]  1413.9 [ 362;B2G]  1429.1 [ 363;AG ]
  1430.5 [ 364;B3U]  1440.5 [ 365;B3G]  1440.9 [ 366;AU ]  1459.2 [ 367;B3G]
  1459.6 [ 368;AU ]  1493.0 [ 369;B1G]  1493.5 [ 370;B2U]  1506.5 [ 371;B1U]
  1524.7 [ 372;B2G]

 *******************************************************************************

 HARMONIC VIBRATIONAL CONTRIBUTIONS TO THERMODYNAMIC FUNCTIONS AT GIVEN
 TEMPERATURE AND PRESSURE:

 (EL = ELECTRONIC ENERGY
  E0 = ZERO-POINT ENERGY
  ET = THERMAL CONTRIBUTION TO THE VIBRATIONAL ENERGY
  PV = PRESSURE * VOLUME
  TS = TEMPERATURE * ENTROPY)

                          AU/CELL             EV/CELL                 KJ/MOL
 EL            :  -32887.182504741999 -894905.732082306873   -86345285.49794258
 E0            :       0.363330646047       9.886729510547         953.92447676


 *******************************************************************************

 THERMODYNAMIC FUNCTIONS WITH VIBRATIONAL CONTRIBUTIONS

 AT (T =  298.15 K, P =   0.10132500E+00 MPA):

                          AU/CELL             EV/CELL                 KJ/MOL
 ET            :       0.132345226116       3.601296689003         347.47234220
 PV            :       0.000039347317       0.001070694924           0.10330637
 TS            :       0.233138654171       6.344025304010         612.10545026
 ET+PV-TS      :      -0.100754080738      -2.741657920083        -264.52980170
 EL+E0+ET+PV-TS:  -32886.919928176692 -894898.587010716437   -86344596.10326752

 OTHER THERMODINAMIC FUNCTIONS:

                      mHARTREE/(CELL*K)     mEV/(CELL*K)              J/(MOL*K)
 ENTROPY       :       0.781950877649      21.277965131678        2053.01173995
 HEAT CAPACITY :       0.818337419270      22.268093266315        2148.54459151

 *******************************************************************************
 TTTTTTTTTTTTTTTTTTTTTTTTTTTTTT END         TELAPSE    46248.78 TCPU    44958.21
 EEEEEEEEEE TERMINATION  DATE 11 06 2011 TIME 00:57:40.4
NODE    0 CPU TIME =     44958.212
NODE    1 CPU TIME =     44927.280
NODE    2 CPU TIME =     44923.693
NODE    3 CPU TIME =     44960.400
NODE    4 CPU TIME =     44996.073
NODE    5 CPU TIME =     44991.404
NODE    6 CPU TIME =     44912.745
NODE    7 CPU TIME =     44961.942
NODE    8 CPU TIME =     44910.354
NODE    9 CPU TIME =     44930.722
NODE   10 CPU TIME =     44877.712
NODE   11 CPU TIME =     44950.665
NODE   12 CPU TIME =     44996.494
NODE   13 CPU TIME =     44977.133
NODE   14 CPU TIME =     45039.838
NODE   15 CPU TIME =     45019.620
NODE   16 CPU TIME =     44893.602
NODE   17 CPU TIME =     44931.463
NODE   18 CPU TIME =     44828.436
NODE   19 CPU TIME =     44898.659
NODE   20 CPU TIME =     44817.291
NODE   21 CPU TIME =     44880.829
NODE   22 CPU TIME =     44994.271
NODE   23 CPU TIME =     44894.704
NODE   24 CPU TIME =     45025.023
NODE   25 CPU TIME =     44982.609
NODE   26 CPU TIME =     44919.791
NODE   27 CPU TIME =     45009.896
NODE   28 CPU TIME =     44866.625
NODE   29 CPU TIME =     44884.023
NODE   30 CPU TIME =     44779.893
NODE   31 CPU TIME =     44879.523
    TOTAL CPU TIME =   1437820.927
Sat Jun 11 00:57:42 CEST 2011
Contents of temporary directory in master node n001.leo1:
total 26302241
-rw-r--r--+ 1 c71460 c714         0 May 19 08:29 dffit3.dat
-rw-r--r--+ 1 c71460 c714       384 Jun 11 00:28 ERROR
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-rw-r--r--+ 1 c71460 c714       384 Jun 11 00:28 ERROR.pe16
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-rw-r--r--+ 1 c71460 c714  22788520 Jun 10 18:01 fort.96.pe31
-rw-r--r--+ 1 c71460 c714  22788520 Jun 10 18:01 fort.96.pe4
-rw-r--r--+ 1 c71460 c714  22788520 Jun 10 18:01 fort.96.pe5
-rw-r--r--+ 1 c71460 c714  22788520 Jun 10 18:01 fort.96.pe6
-rw-r--r--+ 1 c71460 c714  22788520 Jun 10 18:01 fort.96.pe7
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-rw-r--r--+ 1 c71460 c714  22788520 Jun 10 18:01 fort.96.pe9
-rw-r--r--+ 1 c71460 c714  21108338 Jun 11 00:57 FREQINFO.DAT
-rw-r--r--+ 1 c71460 c714   2940660 Jun 11 00:57 HESSFREQ.DAT
-rw-r--r--+ 1 c71460 c714      3871 Jun 10 12:06 INPUT
-rw-r--r--+ 1 c71460 c714      3871 Jun 10 12:06 Pavlovskyite-FREQ.d12
-rw-r--r--+ 1 c71460 c714    104980 May 20 08:21 SCFOUT.LOG
wave function binary file /mnt/x4540/hpc-scratch/c71460/leo1/Kilchoanite/Pavlovskyite-FREQ.f9
file HESSFREQ.DAT saved as /mnt/x4540/hpc-scratch/c71460/leo1/Kilchoanite/Pavlovskyite-FREQ.hessfreq
file SCFOUT.LOG saved as /mnt/x4540/hpc-scratch/c71460/leo1/Kilchoanite/Pavlovskyite-FREQ.SCFLOG
file FREQINFO.DAT saved as /mnt/x4540/hpc-scratch/c71460/leo1/Kilchoanite/Pavlovskyite-FREQ.freqinfo
file fort.13 saved as /mnt/x4540/hpc-scratch/c71460/leo1/Kilchoanite/Pavlovskyite-FREQ.f13