0 mol 7 unq 0 iso 0 dist 8.41585 7.88043 10.2446 12.8323 9.87885 8.15894 12.2041 10.5461 5.72491 7.12508 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 7.10621 5.72491 5.44992 7.12508 6.1206 8.15894 12.2041 12.2333 7.88043 12.8323 numMergedOcc 0
2 mol 7 unq 2 iso 0 dist 7.10621 5.72491 5.44992 11.143 7.67927 11.7902 12.2041 12.2333 7.88043 16.5681 numMergedOcc 0
3 mol 16 unq 0 iso 0 dist 7.63133 6.56335 10.454 9.81307 8.43054 15.8645 5.5251 13.084 7.2668 14.311 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.86116 6.60423 5.97304 11.6226 8.09311 10.8583 7.05502 10.5273 7.83786 8.90092 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 8.86116 6.60423 5.97304 13.1949 9.05357 14.2818 7.05502 10.5273 7.83786 15.6214 numMergedOcc 0
6 mol 25 unq 0 iso 0 dist 6.03987 5.81959 8.4666 4.77954 7.99919 8.52777 10.6808 11.6743 6.90155 10.2738 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 5.73819 8.60739 5.64171 5.07458 6.66407 7.24352 8.13395 10.5523 9.93832 10.8828 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 7.95579 8.00777 5.08358 6.36397 7.7068 10.7316 4.26409 6.19965 7.1589 4.41789 numMergedOcc 0
9 mol 85 unq 1 iso 0 dist 6.19965 7.1589 5.08358 4.41789 7.7068 10.7316 4.26409 7.95579 8.00777 6.36397 numMergedOcc 0
10 mol 109 unq 0 iso 0 dist 8.69985 5.34214 9.14441 5.00433 8.52024 9.78192 4.98336 13.4572 7.55384 8.07002 numMergedOcc 0
11 mol 112 unq 0 iso 0 dist 7.71338 6.43433 8.56707 6.95317 8.47988 4.99604 5.0812 12.603 9.92283 10.9279 numMergedOcc 0
12 mol 112 unq 1 iso 0 dist 7.71338 6.43433 8.56707 7.57713 8.0427 10.2181 5.0812 12.603 9.92283 11.3963 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 8.94367 8.20836 9.4027 7.41373 9.33094 5.11043 5.62899 11.7385 7.36779 4.46337 numMergedOcc 0
14 mol 134 unq 1 iso 0 dist 9.86662 8.20836 5.12325 12.8086 9.1998 6.99345 5.62899 11.3835 7.36779 10.092 numMergedOcc 0
15 mol 134 unq 2 iso 0 dist 9.86662 8.20836 5.12325 7.41373 8.69531 5.11043 5.62899 11.3835 7.36779 4.46337 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.1374 6.51749 13.8722 12.9532 9.76212 16.2165 10.1912 15.0228 7.20392 12.7791 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.03031 8.44861 5.28092 9.49403 6.52816 10.183 7.38516 7.26832 5.60393 13.514 numMergedOcc 0
18 mol 205 unq 1 iso 0 dist 7.26832 5.60393 5.28092 13.514 6.52816 10.183 7.38516 6.03031 8.44861 9.49403 numMergedOcc 0
19 mol 222 unq 0 iso 0 dist 6.00706 7.862 6.42798 8.84507 6.74196 7.97027 10.5806 12.6531 9.2581 9.01393 numMergedOcc 0
20 mol 222 unq 1 iso 0 dist 6.00706 7.862 6.42798 8.84507 6.74196 7.97027 6.9154 11.8674 9.62632 13.3586 numMergedOcc 0
21 mol 222 unq 2 iso 0 dist 6.00706 7.862 6.42798 6.02502 8.36842 4.9876 10.5806 12.6531 9.2581 5.64455 numMergedOcc 0
22 mol 222 unq 3 iso 0 dist 6.00706 7.862 6.42798 6.02502 8.36842 4.9876 6.9154 11.8674 9.62632 5.9478 numMergedOcc 0
23 mol 222 unq 4 iso 0 dist 6.00706 7.862 6.42798 5.18677 9.75472 8.23353 10.5806 12.6531 9.2581 6.39239 numMergedOcc 0
24 mol 222 unq 5 iso 0 dist 6.00706 7.862 6.42798 5.18677 9.75472 8.23353 6.9154 11.8674 9.62632 4.41856 numMergedOcc 0
25 mol 238 unq 0 iso 0 dist 7.31233 5.64181 7.83352 10.3162 9.12776 12.1568 6.85126 13.1583 7.61393 16.6591 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 7.19638 7.50201 7.63376 7.40852 7.15764 5.9974 6.0987 10.5136 6.53679 5.6214 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 7.46176 8.55558 5.60748 5.21606 9.63573 12.8954 9.98105 12.0576 8.59697 14.6375 numMergedOcc 0
28 mol 259 unq 1 iso 0 dist 7.46176 8.55558 5.60748 11.8896 7.66153 13.1388 9.98105 12.0576 8.59697 19.2084 numMergedOcc 0
