0 mol 17 unq 0 iso 0 dist 9.26685 6.80314 14.487 7.83348 17.0164 5.16502 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 9.26685 6.80314 14.487 4.2802 12.5103 8.26398 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 6.04551 6.8073 6.62574 10.7407 11.8515 8.12997 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 6.04551 6.8073 6.62574 10.8995 11.4609 6.13153 numMergedOcc 0
4 mol 48 unq 2 iso 0 dist 6.04551 6.8073 6.62574 10.5685 11.7814 5.7836 numMergedOcc 0
5 mol 48 unq 3 iso 0 dist 6.04551 6.8073 6.62574 5.44298 10.5277 7.32996 numMergedOcc 0
6 mol 48 unq 4 iso 0 dist 6.04551 6.8073 6.62574 4.92775 7.87476 5.89173 numMergedOcc 0
7 mol 48 unq 5 iso 0 dist 6.04551 5.60663 9.48836 11.8742 17.3996 8.56365 numMergedOcc 0
8 mol 48 unq 6 iso 0 dist 6.04551 5.60663 9.48836 5.44298 10.5277 7.47783 numMergedOcc 0
9 mol 48 unq 7 iso 0 dist 6.04551 5.60663 9.48836 9.10301 15.1421 8.74151 numMergedOcc 0
10 mol 48 unq 8 iso 0 dist 6.04551 5.60663 9.48836 7.24268 13.1766 8.69662 numMergedOcc 0
11 mol 48 unq 9 iso 0 dist 8.36915 6.42242 13.1229 10.3657 18.3474 7.84895 numMergedOcc 0
12 mol 48 unq 10 iso 0 dist 8.36915 6.42242 13.1229 10.4457 18.271 5.8541 numMergedOcc 0
13 mol 48 unq 11 iso 0 dist 8.36915 6.42242 13.1229 10.1874 16.0732 5.82264 numMergedOcc 0
14 mol 48 unq 12 iso 0 dist 8.36915 6.42242 13.1229 5.39197 13.1828 7.20729 numMergedOcc 0
15 mol 48 unq 13 iso 0 dist 8.36915 6.42242 13.1229 4.89976 13.0903 5.72703 numMergedOcc 0
16 mol 48 unq 14 iso 0 dist 8.28883 8.68989 3.95005 5.29743 7.37491 8.40186 numMergedOcc 0
17 mol 48 unq 15 iso 0 dist 6.01454 6.42242 6.98858 10.3657 12.0208 7.84895 numMergedOcc 0
18 mol 48 unq 16 iso 0 dist 6.01454 6.42242 6.98858 10.4457 11.6706 5.8541 numMergedOcc 0
19 mol 48 unq 17 iso 0 dist 6.01454 6.42242 6.98858 10.1874 11.9164 5.82264 numMergedOcc 0
20 mol 48 unq 18 iso 0 dist 6.01454 6.42242 6.98858 5.39197 10.7828 7.20729 numMergedOcc 0
21 mol 48 unq 19 iso 0 dist 6.01454 6.42242 6.98858 4.89976 8.36323 5.72703 numMergedOcc 0
22 mol 48 unq 20 iso 0 dist 6.31161 6.8073 12.2137 10.7407 17.0261 8.12997 numMergedOcc 0
23 mol 48 unq 21 iso 0 dist 6.31161 6.8073 12.2137 10.8995 17.0854 6.13153 numMergedOcc 0
24 mol 48 unq 22 iso 0 dist 6.31161 6.8073 12.2137 10.5685 14.7713 5.7836 numMergedOcc 0
25 mol 48 unq 23 iso 0 dist 6.31161 6.8073 12.2137 5.44298 10.3111 7.32996 numMergedOcc 0
26 mol 48 unq 24 iso 0 dist 6.31161 6.8073 12.2137 4.92775 11.1419 5.89173 numMergedOcc 0
27 mol 48 unq 25 iso 0 dist 6.31161 5.60663 5.2902 11.8742 10.9951 8.56365 numMergedOcc 0
28 mol 48 unq 26 iso 0 dist 6.31161 5.60663 5.2902 5.44298 10.3111 7.47783 numMergedOcc 0
29 mol 48 unq 27 iso 0 dist 6.31161 5.60663 5.2902 9.10301 9.82031 8.74151 numMergedOcc 0
30 mol 48 unq 28 iso 0 dist 6.31161 5.60663 5.2902 7.24268 9.90517 8.69662 numMergedOcc 0
31 mol 79 unq 0 iso 0 dist 7.41952 6.64915 11.3722 8.65653 15.1302 5.79139 numMergedOcc 0
32 mol 91 unq 0 iso 0 dist 5.78962 6.93893 9.0185 12.7678 14.6309 9.97813 numMergedOcc 0
33 mol 92 unq 0 iso 0 dist 7.12199 5.74593 7.27534 3.63696 10.6664 8.4219 numMergedOcc 0
34 mol 92 unq 1 iso 0 dist 7.90837 5.74593 9.58876 3.63696 10.1337 8.4219 numMergedOcc 0
35 mol 102 unq 0 iso 0 dist 8.63522 9.2062 6.69798 6.04036 9.49592 6.07633 numMergedOcc 0
36 mol 102 unq 1 iso 0 dist 5.43401 9.2062 5.6591 6.04036 5.88034 6.07633 numMergedOcc 0
37 mol 134 unq 0 iso 0 dist 7.85526 7.50264 9.66528 11.8519 16.8475 8.31198 numMergedOcc 0
38 mol 134 unq 1 iso 0 dist 5.33543 7.50264 5.45341 11.8519 13.0303 8.31198 numMergedOcc 0
39 mol 141 unq 0 iso 0 dist 8.56593 8.71007 4.8653 9.65579 7.53168 6.90583 numMergedOcc 0
40 mol 141 unq 1 iso 0 dist 8.56593 8.71007 4.8653 5.93647 5.18805 6.75593 numMergedOcc 0
41 mol 141 unq 2 iso 0 dist 8.56593 8.71007 4.8653 8.51016 7.11158 8.83562 numMergedOcc 0
42 mol 162 unq 0 iso 0 dist 8.98459 9.31025 5.76291 7.86779 10.034 5.67088 numMergedOcc 0
43 mol 184 unq 0 iso 0 dist 9.45847 4.88303 13.3059 7.551 10.5052 9.62748 numMergedOcc 0
44 mol 184 unq 1 iso 0 dist 9.45847 4.88303 13.3059 4.75805 8.98606 5.12964 numMergedOcc 0
45 mol 184 unq 2 iso 0 dist 7.895 4.88303 5.18787 7.551 11.4395 9.62748 numMergedOcc 0
46 mol 184 unq 3 iso 0 dist 7.895 4.88303 5.18787 4.75805 10.0245 5.12964 numMergedOcc 0
47 mol 198 unq 0 iso 0 dist 4.58291 8.28295 5.47473 7.8747 9.48314 8.78623 numMergedOcc 0
48 mol 232 unq 0 iso 0 dist 6.82688 8.27761 5.39184 11.775 9.69133 9.78273 numMergedOcc 0
49 mol 241 unq 0 iso 0 dist 7.41298 9.30143 6.97807 5.1104 10.0116 8.73192 numMergedOcc 0
50 mol 241 unq 1 iso 0 dist 9.99337 9.30143 9.37079 5.1104 10.0773 8.73192 numMergedOcc 0
51 mol 244 unq 0 iso 0 dist 6.51428 9.97458 16.0237 4.80974 8.75742 9.30179 numMergedOcc 0
52 mol 244 unq 1 iso 0 dist 6.51428 9.97458 16.0237 13.59 18.3375 6.10489 numMergedOcc 0
53 mol 244 unq 2 iso 0 dist 6.51428 9.97458 16.0237 12.146 17.8452 4.4204 numMergedOcc 0
54 mol 253 unq 0 iso 0 dist 9.58767 9.50983 7.48646 16.4827 16.4244 9.82605 numMergedOcc 0
55 mol 253 unq 1 iso 0 dist 9.58767 9.50983 7.48646 13.3075 15.6665 9.73723 numMergedOcc 0
56 mol 261 unq 0 iso 0 dist 9.70222 6.45102 5.48108 4.30068 12.8603 9.41212 numMergedOcc 0
57 mol 261 unq 1 iso 0 dist 9.71882 9.20425 5.48108 10.2597 12.8603 9.41212 numMergedOcc 0
58 mol 266 unq 0 iso 0 dist 8.61786 9.54381 5.4894 6.09382 9.92035 9.32971 numMergedOcc 0
59 mol 266 unq 1 iso 0 dist 8.42706 9.54381 15.3099 6.09382 10.6708 9.32971 numMergedOcc 0
60 mol 268 unq 0 iso 0 dist 6.74419 7.40731 5.28541 9.62272 8.69312 9.6128 numMergedOcc 0
61 mol 279 unq 0 iso 0 dist 8.57035 9.24164 9.43169 11.0658 10.7755 8.25623 numMergedOcc 0
62 mol 279 unq 1 iso 0 dist 8.57035 9.24164 9.43169 5.67885 12.8608 8.77098 numMergedOcc 0
63 mol 279 unq 2 iso 0 dist 8.57035 9.24164 9.43169 13.3369 17.2028 9.78784 numMergedOcc 0
64 mol 282 unq 0 iso 0 dist 8.61456 7.84236 10.9966 4.4471 11.9006 8.46115 numMergedOcc 0
65 mol 294 unq 0 iso 0 dist 8.0661 7.14502 7.87119 12.8415 15.3602 9.01437 numMergedOcc 0
