CRYST1 7.057 7.035 16.961 90.02 90.03 119.59 P 1 0 ATOM 1 S UNK A 1 3.613 2.023 10.833 1.00 0.00 S ATOM 2 O UNK A 1 3.597 2.016 12.322 1.00 0.00 O ATOM 3 O UNK A 1 4.965 1.249 8.041 1.00 0.00 O ATOM 4 H UNK A 1 5.722 0.807 7.579 1.00 0.00 H ATOM 5 O UNK A 1 3.649 3.602 8.124 1.00 0.00 O ATOM 6 H UNK A 1 3.640 4.336 7.465 1.00 0.00 H ATOM 7 O UNK A 1 2.328 1.279 7.895 1.00 0.00 O ATOM 8 H UNK A 1 1.514 0.840 7.533 1.00 0.00 H ATOM 9 Al UNK A 1 -1.666 3.016 8.499 1.00 0.00 Al ATOM 10 O UNK A 1 -1.139 3.385 6.680 1.00 0.00 O ATOM 11 Al UNK A 1 3.653 -0.004 8.481 1.00 0.00 Al ATOM 12 O UNK A 1 0.105 5.486 6.645 1.00 0.00 O ATOM 13 Al UNK A 1 1.864 3.085 8.506 1.00 0.00 Al ATOM 14 O UNK A 1 1.328 3.363 6.648 1.00 0.00 O ATOM 15 O UNK A 1 2.392 2.730 10.330 1.00 0.00 O ATOM 16 O UNK A 1 3.603 0.611 10.324 1.00 0.00 O ATOM 17 O UNK A 1 4.858 2.715 10.358 1.00 0.00 O ATOM 18 S UNK A 1 0.092 4.062 6.159 1.00 0.00 S ATOM 19 O UNK A 1 0.072 4.039 4.673 1.00 0.00 O ATOM 20 O UNK A 1 1.467 4.856 8.902 1.00 0.00 O ATOM 21 H UNK A 1 2.165 5.249 9.478 1.00 0.00 H ATOM 22 O UNK A 1 0.110 2.506 8.918 1.00 0.00 O ATOM 23 H UNK A 1 0.100 1.670 9.450 1.00 0.00 H ATOM 24 O UNK A 1 -1.165 4.828 9.105 1.00 0.00 O ATOM 25 H UNK A 1 -1.987 5.277 9.433 1.00 0.00 H ATOM 26 S UNK A 1 3.582 6.094 5.187 1.00 0.00 S ATOM 27 O UNK A 1 -3.448 6.107 6.667 1.00 0.00 O ATOM 28 O UNK A 1 -2.106 5.287 2.405 1.00 0.00 O ATOM 29 H UNK A 1 -1.359 4.852 1.921 1.00 0.00 H ATOM 30 O UNK A 1 0.035 1.439 2.225 1.00 0.00 O ATOM 31 H UNK A 1 0.017 2.374 1.894 1.00 0.00 H ATOM 32 O UNK A 1 2.247 5.270 2.453 1.00 0.00 O ATOM 33 H UNK A 1 1.603 4.907 1.797 1.00 0.00 H ATOM 34 Al UNK A 1 1.811 0.931 2.845 1.00 0.00 Al ATOM 35 O UNK A 1 2.325 1.291 1.003 1.00 0.00 O ATOM 36 Al UNK A 1 3.613 4.043 2.852 1.00 0.00 Al ATOM 37 O UNK A 1 3.550 3.408 1.023 1.00 0.00 O ATOM 38 Al UNK A 1 5.294 0.946 2.813 1.00 0.00 Al ATOM 39 O UNK A 1 4.773 1.271 0.979 1.00 0.00 O ATOM 40 O UNK A 1 5.813 0.693 4.693 1.00 0.00 O ATOM 41 O UNK A 1 3.587 4.685 4.689 1.00 0.00 O ATOM 42 O UNK A 1 1.198 0.706 4.657 1.00 0.00 O ATOM 43 S UNK A 1 3.550 2.003 0.503 1.00 0.00 S ATOM 44 O UNK A 1 3.536 2.016 15.977 1.00 0.00 O ATOM 45 O UNK A 1 4.940 2.752 3.253 1.00 0.00 O ATOM 46 H UNK A 1 -1.432 3.144 3.849 1.00 0.00 H ATOM 47 O UNK A 1 3.552 0.426 3.287 1.00 0.00 O ATOM 48 H UNK A 1 0.091 5.671 3.757 1.00 0.00 H ATOM 49 O UNK A 1 2.282 2.717 3.440 1.00 0.00 O ATOM 50 H UNK A 1 1.502 3.206 3.821 1.00 0.00 H ATOM 51 Al UNK A 1 -1.729 5.126 14.110 1.00 0.00 Al ATOM 52 O UNK A 1 -1.217 4.858 15.990 1.00 0.00 O ATOM 53 Al UNK A 1 0.066 2.098 14.158 1.00 0.00 Al ATOM 54 O UNK A 1 0.019 2.726 15.985 1.00 0.00 O ATOM 55 Al UNK A 1 1.837 5.109 14.121 1.00 0.00 Al ATOM 56 O UNK A 1 1.226 4.856 15.945 1.00 0.00 O ATOM 57 S UNK A 1 0.004 0.080 11.789 1.00 0.00 S ATOM 58 O UNK A 1 0.006 0.075 10.309 1.00 0.00 O ATOM 59 O UNK A 1 1.382 0.808 14.562 1.00 0.00 O ATOM 60 H UNK A 1 2.113 1.224 15.088 1.00 0.00 H ATOM 61 O UNK A 1 3.583 4.596 14.563 1.00 0.00 O ATOM 62 H UNK A 1 3.580 3.763 15.095 1.00 0.00 H ATOM 63 O UNK A 1 5.795 0.782 14.733 1.00 0.00 O ATOM 64 H UNK A 1 5.007 1.251 15.122 1.00 0.00 H ATOM 65 S UNK A 1 0.028 4.141 16.481 1.00 0.00 S ATOM 66 O UNK A 1 0.053 4.145 1.000 1.00 0.00 O ATOM 67 O UNK A 1 1.401 3.335 13.698 1.00 0.00 O ATOM 68 H UNK A 1 2.119 2.906 13.170 1.00 0.00 H ATOM 69 O UNK A 1 0.062 5.603 13.539 1.00 0.00 O ATOM 70 H UNK A 1 3.525 0.402 13.143 1.00 0.00 H ATOM 71 O UNK A 1 -1.301 3.326 13.711 1.00 0.00 O ATOM 72 H UNK A 1 5.019 2.905 13.200 1.00 0.00 H ATOM 73 O UNK A 1 2.360 5.520 12.309 1.00 0.00 O ATOM 74 O UNK A 1 0.015 1.512 12.288 1.00 0.00 O ATOM 75 O UNK A 1 -2.251 5.482 12.287 1.00 0.00 O ATOM 76 H UNK A 1 -0.116 3.194 11.520 1.00 0.00 H ATOM 77 H UNK A 1 -0.485 4.453 10.446 1.00 0.00 H ATOM 78 H UNK A 1 -0.003 4.733 12.122 1.00 0.00 H ATOM 79 O UNK A 1 0.059 4.144 11.287 1.00 0.00 O ATOM 80 H UNK A 1 4.286 1.405 5.445 1.00 0.00 H ATOM 81 H UNK A 1 3.015 1.701 6.497 1.00 0.00 H ATOM 82 H UNK A 1 2.984 2.239 4.822 1.00 0.00 H ATOM 83 O UNK A 1 3.540 2.025 5.667 1.00 0.00 O ATOM 84 H UNK A 1 -0.493 0.383 16.124 1.00 0.00 H ATOM 85 H UNK A 1 0.877 -0.342 16.738 1.00 0.00 H ATOM 86 H UNK A 1 0.010 0.642 17.794 1.00 0.00 H ATOM 87 O UNK A 1 -0.023 0.019 16.966 1.00 0.00 O CONECT 1 2 15 16 17 CONECT 2 68 70 72 1 CONECT 3 11 4 CONECT 4 3 CONECT 5 13 6 CONECT 6 5 CONECT 7 13 11 81 8 CONECT 8 7 CONECT 9 24 22 10 CONECT 10 18 9 CONECT 11 16 7 3 CONECT 12 18 CONECT 13 20 15 22 14 7 5 CONECT 14 18 81 13 CONECT 15 13 1 CONECT 16 11 1 CONECT 17 1 CONECT 18 19 14 12 10 CONECT 19 46 48 50 18 CONECT 20 21 13 CONECT 21 20 CONECT 22 23 13 9 CONECT 23 58 22 CONECT 24 25 77 9 CONECT 25 24 CONECT 26 41 CONECT 27 CONECT 28 29 CONECT 29 66 28 CONECT 30 31 34 CONECT 31 66 30 CONECT 32 33 36 CONECT 33 66 32 CONECT 34 42 47 49 35 30 CONECT 35 43 34 CONECT 36 41 37 45 49 32 CONECT 37 43 36 CONECT 38 40 39 45 47 CONECT 39 43 38 CONECT 40 80 38 CONECT 41 36 26 CONECT 42 82 34 CONECT 43 39 37 35 CONECT 44 62 64 60 CONECT 45 38 36 CONECT 46 19 CONECT 47 80 82 38 34 CONECT 48 19 CONECT 49 82 50 36 34 CONECT 50 49 19 CONECT 51 52 69 71 75 CONECT 52 65 51 CONECT 53 67 71 54 59 74 CONECT 54 65 84 53 CONECT 55 56 61 67 69 73 CONECT 56 65 55 CONECT 57 58 74 CONECT 58 57 23 CONECT 59 84 60 53 CONECT 60 59 44 CONECT 61 62 55 CONECT 62 61 44 CONECT 63 64 CONECT 64 63 44 CONECT 65 56 54 52 CONECT 66 33 31 29 CONECT 67 68 55 53 CONECT 68 67 2 CONECT 69 78 55 51 CONECT 70 2 CONECT 71 76 78 53 51 CONECT 72 2 CONECT 73 78 55 CONECT 74 76 57 53 CONECT 75 78 51 CONECT 76 79 74 71 CONECT 77 79 24 CONECT 78 79 75 73 71 69 CONECT 79 78 77 76 CONECT 80 83 47 40 CONECT 81 83 14 7 CONECT 82 83 49 47 42 CONECT 83 82 81 80 CONECT 84 87 59 54 CONECT 85 87 CONECT 86 87 CONECT 87 86 85 84