0 mol 90 unq 0 iso 0 dist 6.11881 9.78924 7.30343 6.17315 5.75015 6.86146 numMergedOcc 0
1 mol 92 unq 0 iso 0 dist 9.20639 7.6296 8.30176 11.3332 4.94804 7.39754 numMergedOcc 0
2 mol 92 unq 1 iso 0 dist 9.20639 7.6296 8.30176 7.01303 4.76302 9.01011 numMergedOcc 0
3 mol 93 unq 0 iso 0 dist 5.77804 3.74136 7.85041 8.21739 9.97157 5.51624 numMergedOcc 0
4 mol 93 unq 1 iso 0 dist 5.77804 3.74136 7.85041 4.78377 8.01991 7.8674 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.70951 5.89251 5.85818 12.1332 8.96522 8.03035 numMergedOcc 0
6 mol 140 unq 0 iso 0 dist 9.53229 10.9413 8.01587 10.0867 5.39245 6.98813 numMergedOcc 0
7 mol 140 unq 1 iso 0 dist 9.53229 10.9413 8.01587 15.3641 9.56001 5.39314 numMergedOcc 0
8 mol 147 unq 0 iso 0 dist 7.9061 5.78019 5.1101 11.3734 6.29593 9.23528 numMergedOcc 0
9 mol 147 unq 1 iso 0 dist 4.48898 5.78019 7.01133 11.3734 11.2831 9.23528 numMergedOcc 0
10 mol 147 unq 2 iso 0 dist 6.36426 4.52246 5.1101 7.83509 6.29593 9.23528 numMergedOcc 0
11 mol 147 unq 3 iso 0 dist 7.06711 4.52246 7.01133 7.83509 11.2831 9.23528 numMergedOcc 0
12 mol 147 unq 4 iso 0 dist 7.6489 5.88056 5.1101 7.01483 6.29593 9.23528 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 7.08808 10.7514 7.04913 12.8734 6.6213 4.9941 numMergedOcc 0
14 mol 193 unq 0 iso 0 dist 9.06161 10.5008 8.76185 14.9673 11.5632 5.44396 numMergedOcc 0
15 mol 193 unq 1 iso 0 dist 9.06161 10.5008 8.76185 11.0663 5.08201 6.22972 numMergedOcc 0
16 mol 225 unq 0 iso 0 dist 7.21089 9.53753 5.13453 10.6803 8.99405 6.53728 numMergedOcc 0
17 mol 238 unq 0 iso 0 dist 9.13022 13.402 7.61203 17.2888 10.6355 9.89583 numMergedOcc 0
18 mol 240 unq 0 iso 0 dist 8.3417 5.02268 5.66537 11.8829 8.76585 9.53915 numMergedOcc 0
