0 mol 54 unq 0 iso 0 dist 6.10175 9.63616 7.25076 5.01159 5.7405 5.27979 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 7.93891 7.75075 6.84152 4.90088 8.86612 8.99536 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 7.93891 7.75075 6.84152 7.5659 10.1494 5.94317 numMergedOcc 0
3 mol 76 unq 2 iso 0 dist 8.62536 7.75075 7.1203 4.90088 6.84747 8.99536 numMergedOcc 0
4 mol 76 unq 3 iso 0 dist 8.62536 7.75075 7.1203 7.5659 7.75436 5.94317 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 8.87856 8.73798 11.2684 4.81103 4.94406 7.54574 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 6.2491 8.73798 4.05759 4.81103 7.2337 7.54574 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 3.59451 5.24616 4.05759 7.22196 7.2337 7.54574 numMergedOcc 0
8 mol 101 unq 0 iso 0 dist 9.1109 6.54699 5.42817 9.70552 14.8232 9.44645 numMergedOcc 0
9 mol 101 unq 1 iso 0 dist 5.51185 6.54699 4.19577 9.70552 9.83799 9.44645 numMergedOcc 0
10 mol 102 unq 0 iso 0 dist 7.73836 9.5434 8.94532 9.38204 12.9233 6.07633 numMergedOcc 0
11 mol 124 unq 0 iso 0 dist 5.61764 9.66083 8.5036 4.26006 8.18186 8.65859 numMergedOcc 0
12 mol 130 unq 0 iso 0 dist 8.26291 8.12319 4.81304 9.33864 5.05277 8.00013 numMergedOcc 0
13 mol 130 unq 1 iso 0 dist 7.86001 9.04366 4.81304 5.6007 5.05277 8.00013 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 9.98097 7.43045 4.45608 10.537 9.80549 9.62774 numMergedOcc 0
15 mol 141 unq 1 iso 0 dist 9.98097 7.74168 12.8725 12.6641 19.4057 6.75593 numMergedOcc 0
16 mol 141 unq 2 iso 0 dist 9.98097 8.16507 10.9613 12.6641 19.4057 8.83562 numMergedOcc 0
17 mol 193 unq 0 iso 0 dist 5.19654 6.10013 3.41036 12.9817 9.82224 9.9042 numMergedOcc 0
18 mol 193 unq 1 iso 0 dist 5.19654 6.10013 3.41036 10.7013 8.95886 6.21262 numMergedOcc 0
19 mol 232 unq 0 iso 0 dist 4.46314 4.76819 3.79439 10.7624 6.67239 9.89191 numMergedOcc 0
20 mol 249 unq 0 iso 0 dist 6.04688 5.7671 7.19269 10.5246 15.2001 8.76518 numMergedOcc 0
21 mol 260 unq 0 iso 0 dist 8.66784 4.20369 8.83524 6.93843 13.3427 6.12343 numMergedOcc 0
22 mol 260 unq 1 iso 0 dist 8.3298 4.20369 9.7119 6.93843 11.6023 6.12343 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 9.96645 9.76634 14.3277 6.84952 13.0106 8.09181 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 9.29005 9.76634 13.8247 6.84952 9.67276 8.09181 numMergedOcc 0
25 mol 274 unq 2 iso 0 dist 8.16746 9.76634 9.90818 6.84952 9.02661 8.09181 numMergedOcc 0
26 mol 287 unq 0 iso 0 dist 8.83885 9.57637 7.24849 13.8928 13.9091 9.25759 numMergedOcc 0
27 mol 288 unq 0 iso 0 dist 8.83885 9.57637 7.24849 13.8928 13.9091 9.25759 numMergedOcc 0
28 mol 289 unq 0 iso 0 dist 8.83885 9.57637 7.24849 13.8928 13.9091 9.25759 numMergedOcc 0
