0 mol 2 unq 0 iso 0 dist 5.69072 4.72883 5.5745 6.2381 9.10747 6.32102 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 5.69072 4.72883 5.5745 11.5001 9.45683 7.91536 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 4.15066 4.90352 7.11633 6.44057 9.47968 6.38533 numMergedOcc 0
3 mol 25 unq 0 iso 0 dist 8.83402 14.4516 8.88413 5.85389 5.97432 10.1525 numMergedOcc 0
4 mol 25 unq 1 iso 0 dist 8.83402 13.2677 9.87281 5.85389 5.97432 7.63409 numMergedOcc 0
5 mol 25 unq 2 iso 0 dist 8.83402 13.7276 7.63928 5.85389 5.97432 8.4666 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 4.76012 8.48942 6.38163 5.68343 7.56091 5.99437 numMergedOcc 0
7 mol 171 unq 0 iso 0 dist 7.7195 11.071 6.07091 10.8376 7.68295 5.487 numMergedOcc 0
8 mol 171 unq 1 iso 0 dist 8.30819 10.3893 6.07091 6.75094 7.68295 5.487 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 8.91036 9.63894 8.1088 9.49277 5.76772 5.5127 numMergedOcc 0
10 mol 186 unq 0 iso 0 dist 9.53121 4.77798 7.80299 15.3632 9.47421 14.9475 numMergedOcc 0
11 mol 210 unq 0 iso 0 dist 5.07395 13.0116 8.62103 11.5463 7.31388 9.59996 numMergedOcc 0
12 mol 210 unq 1 iso 0 dist 9.35577 17.7106 8.62103 12.9872 7.31388 9.59996 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 6.44877 10.7735 7.0843 4.36657 5.72444 6.90702 numMergedOcc 0
14 mol 218 unq 1 iso 0 dist 6.44877 13.426 7.73315 4.36657 5.72444 10.4526 numMergedOcc 0
15 mol 218 unq 2 iso 0 dist 6.44877 11.5952 6.9398 4.36657 5.72444 8.94041 numMergedOcc 0
16 mol 251 unq 0 iso 0 dist 8.3966 4.80531 8.39644 15.7095 8.38382 14.7239 numMergedOcc 0
17 mol 251 unq 1 iso 0 dist 5.34851 5.60154 8.39644 10.5167 8.38382 14.7239 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 9.01177 11.5884 6.1197 6.44909 5.22349 6.66384 numMergedOcc 0
19 mol 252 unq 1 iso 0 dist 9.01177 11.5884 6.1197 5.04047 9.81593 14.2073 numMergedOcc 0
20 mol 270 unq 0 iso 0 dist 9.71945 4.58103 7.82003 6.29558 4.95899 6.96493 numMergedOcc 0
