0 mol 25 unq 0 iso 0 dist 6.69002 11.2116 6.29797 12.1471 5.68392 7.6114 numMergedOcc 0
1 mol 58 unq 0 iso 0 dist 7.88172 5.42468 9.01564 12.9181 9.95364 9.22598 numMergedOcc 0
2 mol 58 unq 1 iso 0 dist 7.88172 5.42468 9.01564 10.671 5.49591 8.96727 numMergedOcc 0
3 mol 58 unq 2 iso 0 dist 7.88172 8.24108 7.11065 10.671 5.49591 8.01308 numMergedOcc 0
4 mol 60 unq 0 iso 0 dist 9.34193 7.32774 6.63448 8.82095 9.49968 7.57295 numMergedOcc 0
5 mol 60 unq 1 iso 0 dist 9.34193 7.32774 6.63448 10.5768 5.94827 8.4312 numMergedOcc 0
6 mol 60 unq 2 iso 0 dist 9.34193 7.32774 6.63448 6.27749 5.32257 7.48086 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 6.91141 9.26069 8.96616 10.8928 6.56633 8.68662 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 6.91141 6.25278 6.14542 10.1845 5.11416 9.73086 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 6.91141 6.25278 6.14542 10.8928 6.56633 7.4369 numMergedOcc 0
10 mol 112 unq 0 iso 0 dist 9.69961 11.4567 8.72725 14.8158 5.76986 9.05166 numMergedOcc 0
11 mol 112 unq 1 iso 0 dist 9.69961 11.4288 6.11407 14.8158 5.76986 5.56994 numMergedOcc 0
12 mol 119 unq 0 iso 0 dist 5.58734 6.14609 6.18678 8.53368 6.36778 9.77575 numMergedOcc 0
13 mol 143 unq 0 iso 0 dist 5.75595 7.51335 5.06564 11.3921 6.48978 5.37047 numMergedOcc 0
14 mol 181 unq 0 iso 0 dist 6.66608 5.71744 5.99437 11.5992 7.20191 9.01624 numMergedOcc 0
15 mol 181 unq 1 iso 0 dist 6.66608 5.71744 5.99437 6.43406 5.48529 5.05973 numMergedOcc 0
16 mol 181 unq 2 iso 0 dist 6.66608 6.42494 8.4848 11.5992 7.20191 9.55105 numMergedOcc 0
17 mol 184 unq 0 iso 0 dist 5.0207 10.6375 7.58375 11.3917 8.08596 5.96423 numMergedOcc 0
18 mol 220 unq 0 iso 0 dist 9.4707 5.11711 8.24649 8.39425 4.82315 9.58404 numMergedOcc 0
19 mol 224 unq 0 iso 0 dist 6.48885 3.56689 5.05368 9.75313 10.7174 8.08349 numMergedOcc 0
20 mol 224 unq 1 iso 0 dist 6.48885 3.56689 5.05368 11.1179 6.51732 9.78218 numMergedOcc 0
21 mol 224 unq 2 iso 0 dist 9.42667 7.57013 9.05276 11.9715 9.14278 6.99769 numMergedOcc 0
22 mol 224 unq 3 iso 0 dist 9.42667 7.57013 9.05276 15.9877 12.4832 8.79428 numMergedOcc 0
23 mol 224 unq 4 iso 0 dist 9.42667 7.57013 9.05276 12.7282 11.5752 6.8692 numMergedOcc 0
24 mol 227 unq 0 iso 0 dist 8.61546 17.592 9.18728 14.5974 6.35849 5.23634 numMergedOcc 0
25 mol 227 unq 1 iso 0 dist 8.61546 17.592 9.18728 17.402 10.204 6.91318 numMergedOcc 0
26 mol 274 unq 0 iso 0 dist 8.30714 12.0951 7.77765 17.1941 9.5468 9.30212 numMergedOcc 0
27 mol 274 unq 1 iso 0 dist 8.30714 16.7767 9.65868 17.1941 9.5468 6.4611 numMergedOcc 0
28 mol 274 unq 2 iso 0 dist 9.02661 4.89003 8.60027 8.66451 6.70925 6.4611 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 5.92532 13.3706 9.26157 10.9325 6.28695 9.57499 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 5.92532 13.3706 9.26157 9.02914 4.37645 5.46926 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 5.92532 13.3706 9.26157 6.90434 7.70529 8.9682 numMergedOcc 0
