0 mol 11 unq 0 iso 0 dist 9.07476 6.65725 4.79838 9.46202 6.83186 3.56133 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 9.04534 6.35394 5.25331 9.26728 6.83186 3.66215 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 6.46582 13.2281 8.90522 9.68005 7.66068 10.865 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 6.46582 13.2281 8.90522 14.6547 9.5043 10.2651 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 6.46582 13.2281 8.90522 14.1202 8.34132 5.92868 numMergedOcc 0
5 mol 101 unq 0 iso 0 dist 6.67863 9.59696 8.35515 9.54415 8.19144 11.7377 numMergedOcc 0
6 mol 141 unq 0 iso 0 dist 9.48934 4.06022 9.68074 10.5537 5.60448 9.53687 numMergedOcc 0
7 mol 141 unq 1 iso 0 dist 6.41183 6.47962 9.68074 5.51254 5.60448 9.53687 numMergedOcc 0
8 mol 151 unq 0 iso 0 dist 9.98086 6.31766 9.92657 9.37572 9.37533 3.72016 numMergedOcc 0
9 mol 151 unq 1 iso 0 dist 8.89982 7.01086 9.92657 8.61721 9.37533 3.72016 numMergedOcc 0
10 mol 151 unq 2 iso 0 dist 6.12972 5.74584 9.92657 3.96406 9.37533 3.72016 numMergedOcc 0
11 mol 176 unq 0 iso 0 dist 7.26558 4.20839 9.67312 3.58164 6.85902 6.33976 numMergedOcc 0
12 mol 204 unq 0 iso 0 dist 9.12524 5.43506 7.76863 5.8523 8.32259 3.99343 numMergedOcc 0
13 mol 204 unq 1 iso 0 dist 9.12524 5.43506 7.76863 10.6525 8.54737 11.4601 numMergedOcc 0
14 mol 232 unq 0 iso 0 dist 9.67243 6.17401 8.49913 9.5606 9.64861 9.20175 numMergedOcc 0
15 mol 254 unq 0 iso 0 dist 7.89302 5.11145 6.59989 5.81468 7.85841 4.84855 numMergedOcc 0
16 mol 254 unq 1 iso 0 dist 7.89302 5.11145 6.59989 8.51317 9.20109 5.67608 numMergedOcc 0
17 mol 260 unq 0 iso 0 dist 9.46576 14.2669 8.8385 3.48905 8.62655 11.4575 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.35293 15.3423 9.6721 7.2339 6.96692 16.2268 numMergedOcc 0
19 mol 266 unq 1 iso 0 dist 9.35293 15.3423 9.6721 12.15 8.25286 16.7453 numMergedOcc 0
20 mol 266 unq 2 iso 0 dist 9.35293 15.3423 9.6721 14.8334 9.9965 17.4207 numMergedOcc 0
21 mol 266 unq 3 iso 0 dist 7.93375 15.8824 9.6721 3.87565 6.96692 16.2268 numMergedOcc 0
22 mol 266 unq 4 iso 0 dist 7.93375 15.8824 9.6721 9.25882 8.25286 16.7453 numMergedOcc 0
23 mol 266 unq 5 iso 0 dist 7.93375 15.8824 9.6721 12.1357 9.9965 17.4207 numMergedOcc 0
24 mol 277 unq 0 iso 0 dist 8.72101 13.2782 9.62597 14.313 7.98956 13.6468 numMergedOcc 0
25 mol 277 unq 1 iso 0 dist 8.72101 13.2782 9.62597 13.2017 5.86185 13.3297 numMergedOcc 0
26 mol 277 unq 2 iso 0 dist 8.72101 13.2782 9.62597 10.3346 6.79748 6.51854 numMergedOcc 0
27 mol 277 unq 3 iso 0 dist 5.11998 13.8592 9.62597 7.31817 7.98956 13.6468 numMergedOcc 0
28 mol 277 unq 4 iso 0 dist 5.11998 13.8592 9.62597 3.91224 5.86185 13.3297 numMergedOcc 0
29 mol 277 unq 5 iso 0 dist 5.11998 13.8592 9.62597 10.8296 6.79748 6.51854 numMergedOcc 0
30 mol 281 unq 0 iso 0 dist 6.82918 13.607 9.94612 13.5758 7.90368 14.4804 numMergedOcc 0
31 mol 281 unq 1 iso 0 dist 6.82918 13.607 9.94612 7.74065 6.69267 6.83942 numMergedOcc 0
32 mol 283 unq 0 iso 0 dist 8.85163 6.40657 7.83424 9.87139 7.31132 4.58127 numMergedOcc 0
33 mol 287 unq 0 iso 0 dist 9.40443 13.4432 7.1388 9.94473 6.24487 7.45064 numMergedOcc 0
34 mol 287 unq 1 iso 0 dist 7.84189 4.26276 5.50067 9.51119 4.68668 8.99193 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 9.40443 13.4432 7.1388 9.94473 6.24487 7.45064 numMergedOcc 0
36 mol 288 unq 1 iso 0 dist 7.84189 4.26276 5.50067 9.51119 4.68668 8.99193 numMergedOcc 0
37 mol 289 unq 0 iso 0 dist 9.40443 13.4432 7.1388 9.94473 6.24487 7.45064 numMergedOcc 0
38 mol 289 unq 1 iso 0 dist 7.84189 4.26276 5.50067 9.51119 4.68668 8.99193 numMergedOcc 0
39 mol 292 unq 0 iso 0 dist 8.85506 11.4817 9.10627 12.2 8.07775 11.2463 numMergedOcc 0
