0 mol 16 unq 0 iso 0 dist 7.979 6.36377 5.72175 4.78943 8.17898 5.05803 9.05346 12.0005 6.2983 7.03948 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 7.979 6.36377 5.72175 5.48395 10.6491 6.31718 9.05346 12.0005 6.2983 5.47769 numMergedOcc 0
2 mol 59 unq 0 iso 0 dist 5.41134 6.65344 6.34748 13.1729 13.5562 7.71095 10.6421 7.70259 5.3525 8.24062 numMergedOcc 0
3 mol 59 unq 1 iso 0 dist 9.23605 6.65344 13.0793 13.1729 19.6226 7.71095 10.6421 13.6463 5.3525 8.24062 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 6.71467 9.22002 10.8063 6.16737 10.755 6.65721 12.9951 13.5356 5.83489 8.76003 numMergedOcc 0
5 mol 61 unq 1 iso 0 dist 6.71467 7.52103 6.66385 6.16737 10.755 6.72123 12.9951 13.5356 7.39396 8.76003 numMergedOcc 0
6 mol 85 unq 0 iso 0 dist 7.61312 6.58793 3.85308 9.21014 9.8682 6.19965 14.6315 13.0379 11.6116 9.47876 numMergedOcc 0
7 mol 85 unq 1 iso 0 dist 7.61312 6.58793 3.85308 7.83419 9.22376 7.66905 14.6315 13.0379 11.6116 7.22293 numMergedOcc 0
8 mol 88 unq 0 iso 0 dist 5.74637 7.74197 13.1838 4.0486 7.76275 9.36773 5.82918 8.71166 6.95868 9.2603 numMergedOcc 0
9 mol 88 unq 1 iso 0 dist 5.74637 7.86537 12.6939 4.0486 7.76275 8.31336 5.82918 8.71166 6.97239 9.2603 numMergedOcc 0
10 mol 132 unq 0 iso 0 dist 9.00166 8.7366 6.04014 4.90475 6.2403 7.7059 10.9124 6.58856 9.92344 6.03703 numMergedOcc 0
11 mol 132 unq 1 iso 0 dist 7.16287 8.7366 10.0823 4.90475 6.495 7.7059 10.9124 10.343 9.92344 6.03703 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 9.87685 9.07872 17.4802 9.9474 19.7156 7.09863 16.431 25.9183 9.13836 8.17891 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 8.20542 5.66569 10.2557 11.2013 9.97357 9.99038 6.98151 11.4732 6.04825 7.17676 numMergedOcc 0
14 mol 236 unq 1 iso 0 dist 8.20542 5.66569 10.2557 11.2013 9.97357 9.99038 12.9923 14.1057 8.8265 6.68463 numMergedOcc 0
15 mol 236 unq 2 iso 0 dist 8.20542 5.66569 10.2557 4.15973 6.36941 6.27581 6.98151 11.4732 6.04825 5.34718 numMergedOcc 0
16 mol 236 unq 3 iso 0 dist 5.6568 6.11137 6.49831 15.1664 16.3801 9.99038 9.91572 11.5567 6.04825 7.17676 numMergedOcc 0
17 mol 236 unq 4 iso 0 dist 5.6568 6.11137 6.49831 15.1664 16.3801 9.99038 14.8319 13.6657 8.8265 6.68463 numMergedOcc 0
18 mol 236 unq 5 iso 0 dist 5.6568 6.11137 6.49831 9.01197 12.2331 6.27581 9.91572 11.5567 6.04825 5.34718 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.29888 9.13537 9.76195 10.3859 15.3066 6.57393 17.1186 20.717 10.9761 6.91569 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 8.06908 9.54857 6.18571 15.3806 13.6279 7.46176 10.5864 10.0667 5.79468 7.48005 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 7.38085 9.64596 4.78295 5.26991 8.82094 8.48753 11.6311 10.6582 6.64985 7.67853 numMergedOcc 0
