0 mol 16 unq 0 iso 0 dist 7.979 4.78943 8.17898 6.36377 5.72175 5.05803 9.05346 12.0005 7.03948 6.2983 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 7.61312 7.83419 9.22376 10.7244 5.75796 7.47541 14.6315 13.0379 7.22293 7.98917 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 7.61312 7.83419 9.22376 6.58793 3.85308 7.66905 14.6315 13.0379 7.22293 11.6116 numMergedOcc 0
3 mol 85 unq 2 iso 0 dist 7.61312 7.83419 9.22376 11.7434 9.77828 5.73196 14.6315 13.0379 7.22293 6.47779 numMergedOcc 0
4 mol 88 unq 0 iso 0 dist 5.74637 4.0486 7.76275 7.74197 13.1838 9.36773 5.82918 8.71166 9.2603 6.95868 numMergedOcc 0
5 mol 88 unq 1 iso 0 dist 5.74637 4.0486 7.76275 7.86537 12.6939 8.31336 5.82918 8.71166 9.2603 6.97239 numMergedOcc 0
6 mol 127 unq 0 iso 0 dist 8.58317 4.70935 7.73139 9.8685 11.0785 9.30299 12.3265 11.54 9.81878 4.77464 numMergedOcc 0
7 mol 127 unq 1 iso 0 dist 5.52891 4.70935 8.62711 9.8685 10.345 9.30299 12.3265 13.376 9.81878 4.77464 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 9.92685 10.5415 9.05626 15.3663 7.09664 8.70949 9.82201 5.53247 6.89257 8.84655 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 9.92685 10.5415 9.05626 15.3663 7.09664 8.70949 15.6318 8.63186 8.74308 6.76754 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 9.00166 4.90475 6.2403 8.7366 6.04014 7.7059 10.9124 6.58856 6.03703 9.92344 numMergedOcc 0
11 mol 132 unq 1 iso 0 dist 7.16287 4.90475 6.495 8.7366 10.0823 7.7059 10.9124 10.343 6.03703 9.92344 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 7.7013 12.3666 6.73365 11.3098 5.73338 5.6234 14.6759 7.92448 9.0664 5.28109 numMergedOcc 0
13 mol 175 unq 1 iso 0 dist 7.7013 12.3666 6.73365 18.6681 12.753 9.92231 14.6759 7.92448 9.0664 7.14477 numMergedOcc 0
14 mol 204 unq 0 iso 0 dist 4.45738 10.6493 7.7292 16.8304 13.4646 7.10633 13.9578 11.695 5.90931 5.09262 numMergedOcc 0
15 mol 204 unq 1 iso 0 dist 4.45738 10.6493 7.7292 13.8331 9.54287 8.51516 13.9578 11.695 5.90931 12.9483 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 8.20542 11.2013 9.97357 12.3675 8.3919 8.03456 6.98151 11.4732 7.17676 11.8759 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 8.20542 11.2013 9.97357 12.3675 8.3919 8.03456 12.9923 14.1057 6.68463 9.07822 numMergedOcc 0
18 mol 236 unq 2 iso 0 dist 8.20542 11.2013 9.97357 11.0771 4.88785 6.84306 6.98151 11.4732 7.17676 11.3552 numMergedOcc 0
19 mol 236 unq 3 iso 0 dist 8.20542 11.2013 9.97357 11.0771 4.88785 6.84306 12.9923 14.1057 6.68463 11.6837 numMergedOcc 0
20 mol 236 unq 4 iso 0 dist 8.20542 11.2013 9.97357 5.66569 10.2557 9.99038 6.98151 11.4732 7.17676 6.04825 numMergedOcc 0
21 mol 236 unq 5 iso 0 dist 8.20542 11.2013 9.97357 5.66569 10.2557 9.99038 12.9923 14.1057 6.68463 8.8265 numMergedOcc 0
22 mol 236 unq 6 iso 0 dist 8.20542 11.2013 9.97357 15.7385 14.6755 9.78037 6.98151 11.4732 7.17676 12.6468 numMergedOcc 0
23 mol 236 unq 7 iso 0 dist 8.20542 11.2013 9.97357 15.7385 14.6755 9.78037 12.9923 14.1057 6.68463 5.80136 numMergedOcc 0
24 mol 236 unq 8 iso 0 dist 8.20542 11.2013 9.97357 13.3367 16.5918 8.35971 6.98151 11.4732 7.17676 6.40312 numMergedOcc 0
25 mol 236 unq 9 iso 0 dist 8.20542 11.2013 9.97357 13.3367 16.5918 8.35971 12.9923 14.1057 6.68463 6.2568 numMergedOcc 0
26 mol 236 unq 10 iso 0 dist 8.20542 4.15973 6.36941 12.3675 8.3919 9.81562 6.98151 11.4732 5.34718 11.8759 numMergedOcc 0
27 mol 236 unq 11 iso 0 dist 8.20542 4.15973 6.36941 11.0771 4.88785 7.68742 6.98151 11.4732 5.34718 11.3552 numMergedOcc 0
28 mol 236 unq 12 iso 0 dist 8.20542 4.15973 6.36941 5.66569 10.2557 6.27581 6.98151 11.4732 5.34718 6.04825 numMergedOcc 0
29 mol 272 unq 0 iso 0 dist 7.38085 5.26991 8.82094 9.64596 4.78295 8.48753 11.6311 10.6582 7.67853 6.64985 numMergedOcc 0
30 mol 282 unq 0 iso 0 dist 8.42335 4.64783 8.58671 11.3408 8.13794 8.04483 8.96997 4.91806 6.85028 6.3384 numMergedOcc 0
