0 mol 0 unq 0 iso 0 dist 7.30381 10.169 8.34244 6.58151 6.64713 4.04089 7.37981 5.24778 9.23213 6.26831 numMergedOcc 0
1 mol 27 unq 0 iso 0 dist 7.18409 14.335 7.60283 5.80624 7.45532 14.2471 21.4858 14.3929 9.77484 19.9619 numMergedOcc 0
2 mol 27 unq 1 iso 0 dist 6.21163 8.38749 7.60283 10.2629 7.45532 14.2471 17.7682 14.3929 9.77484 19.9619 numMergedOcc 0
3 mol 45 unq 0 iso 0 dist 7.97558 12.0234 9.62637 10.9773 9.32898 7.91752 17.8269 13.4503 6.99408 13.9502 numMergedOcc 0
4 mol 45 unq 1 iso 0 dist 7.97558 12.0234 9.62637 10.9773 9.32898 7.91752 16.1921 10.6148 9.3403 15.174 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 7.88172 6.82593 7.6481 9.94237 6.62229 5.36808 12.3807 9.62267 8.81638 10.8014 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 7.88172 15.7855 9.11258 9.94237 6.62229 9.17656 15.9015 10.2049 8.63333 14.62 numMergedOcc 0
7 mol 58 unq 2 iso 0 dist 7.88172 15.7855 9.11258 9.94237 6.62229 9.17656 10.671 5.49591 8.89374 10.9864 numMergedOcc 0
8 mol 58 unq 3 iso 0 dist 7.88172 15.7855 9.11258 9.94237 6.62229 9.17656 13.4086 5.85698 6.46761 7.27383 numMergedOcc 0
9 mol 58 unq 4 iso 0 dist 7.88172 15.7855 9.11258 9.94237 6.62229 9.17656 19.6846 12.2123 9.73139 12.5444 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 6.91141 11.5311 7.10439 4.73318 6.48232 11.2505 10.1845 5.11416 8.70133 7.04044 numMergedOcc 0
11 mol 73 unq 1 iso 0 dist 6.91141 11.5311 7.10439 4.73318 6.48232 11.2505 14.7758 8.44406 5.64598 13.1821 numMergedOcc 0
12 mol 73 unq 2 iso 0 dist 6.91141 11.5311 7.10439 4.73318 6.48232 11.2505 10.8928 6.56633 4.65521 8.73253 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 9.95103 7.59628 7.09065 6.04919 9.5669 10.2428 13.6378 9.36726 9.39469 16.8433 numMergedOcc 0
14 mol 100 unq 1 iso 0 dist 9.95103 7.59628 7.09065 6.04919 9.5669 10.2428 6.78459 7.16919 4.76815 10.8066 numMergedOcc 0
15 mol 114 unq 0 iso 0 dist 7.78223 12.097 9.83981 10.8586 9.35942 8.36453 17.6751 13.7032 6.73814 14.3116 numMergedOcc 0
16 mol 114 unq 1 iso 0 dist 7.78223 12.097 9.83981 11.0397 7.42482 17.1979 17.6751 13.7032 6.73814 20.2915 numMergedOcc 0
17 mol 119 unq 0 iso 0 dist 6.13508 8.00732 7.26955 7.09096 9.9151 9.0892 11.3088 5.92984 7.39889 12.8231 numMergedOcc 0
18 mol 119 unq 1 iso 0 dist 6.13508 8.00732 7.26955 7.09096 9.9151 9.0892 17.6376 15.5019 9.63176 17.1697 numMergedOcc 0
19 mol 119 unq 2 iso 0 dist 6.13508 8.00732 7.26955 7.09096 9.9151 9.0892 10.517 10.314 7.44174 15.0262 numMergedOcc 0
20 mol 175 unq 0 iso 0 dist 6.53696 11.158 8.99988 10.9098 5.60528 6.05776 11.4946 6.77832 9.52634 7.35824 numMergedOcc 0
21 mol 175 unq 1 iso 0 dist 6.53696 11.158 8.99988 5.31207 5.5995 5.85047 11.4946 6.77832 9.52634 9.17364 numMergedOcc 0
22 mol 175 unq 2 iso 0 dist 6.53696 8.65486 6.99693 10.9098 5.60528 5.95187 17.1425 14.7282 9.8589 12.6297 numMergedOcc 0
23 mol 175 unq 3 iso 0 dist 6.53696 8.65486 6.99693 10.9098 5.60528 5.95187 11.1504 9.30597 7.24908 10.1905 numMergedOcc 0
24 mol 175 unq 4 iso 0 dist 6.53696 8.65486 6.99693 5.31207 5.5995 5.46129 17.1425 14.7282 9.8589 15.2721 numMergedOcc 0
25 mol 175 unq 5 iso 0 dist 6.53696 8.65486 6.99693 5.31207 5.5995 5.46129 11.1504 9.30597 7.24908 11.1503 numMergedOcc 0
26 mol 227 unq 0 iso 0 dist 7.17024 9.78034 9.28891 11.481 7.95359 4.3387 11.3667 6.67321 8.83563 5.87815 numMergedOcc 0
27 mol 234 unq 0 iso 0 dist 5.68253 6.7061 7.22019 4.7189 6.00582 5.3976 14.6848 12.6661 9.39181 14.2988 numMergedOcc 0
28 mol 253 unq 0 iso 0 dist 9.6479 15.4561 9.58354 12.0513 8.15091 14.5407 10.7862 5.78064 7.19465 7.77998 numMergedOcc 0
