0 mol 32 unq 0 iso 0 dist 7.26268 8.91596 6.37026 7.93694 10.1386 5.9972 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 9.17838 7.15542 3.3785 4.84988 10.9551 8.44353 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 9.17838 8.89047 9.71725 4.84988 10.9551 6.11249 numMergedOcc 0
3 mol 48 unq 2 iso 0 dist 9.17838 8.89003 7.56478 4.84988 10.9551 7.86326 numMergedOcc 0
4 mol 58 unq 0 iso 0 dist 5.38524 7.4785 5.77163 5.98837 7.03126 5.48837 numMergedOcc 0
5 mol 58 unq 1 iso 0 dist 5.38524 7.4785 5.77163 11.0512 13.3982 9.15753 numMergedOcc 0
6 mol 58 unq 2 iso 0 dist 8.69057 8.34191 11.7295 4.55117 7.03126 8.88313 numMergedOcc 0
7 mol 58 unq 3 iso 0 dist 8.69057 8.34191 11.7295 5.64209 13.3982 7.07522 numMergedOcc 0
8 mol 58 unq 4 iso 0 dist 8.69057 6.39747 5.77163 4.55117 7.03126 5.48837 numMergedOcc 0
9 mol 58 unq 5 iso 0 dist 8.69057 6.39747 5.77163 5.64209 13.3982 9.15753 numMergedOcc 0
10 mol 58 unq 6 iso 0 dist 8.96727 7.17488 10.5853 7.05413 15.7229 8.98478 numMergedOcc 0
11 mol 58 unq 7 iso 0 dist 8.01308 7.17488 5.11422 7.05413 12.8612 8.98478 numMergedOcc 0
12 mol 78 unq 0 iso 0 dist 6.85523 7.91148 6.99884 4.92509 5.47706 7.03887 numMergedOcc 0
13 mol 78 unq 1 iso 0 dist 6.85523 6.59794 3.75261 4.92509 5.47706 5.36451 numMergedOcc 0
14 mol 78 unq 2 iso 0 dist 6.85523 8.34957 10.6388 4.92509 5.47706 9.28354 numMergedOcc 0
15 mol 78 unq 3 iso 0 dist 5.77326 7.91148 4.75637 4.92509 8.07568 7.03887 numMergedOcc 0
16 mol 78 unq 4 iso 0 dist 5.77326 6.59794 5.62063 4.92509 8.07568 5.36451 numMergedOcc 0
17 mol 78 unq 5 iso 0 dist 5.77326 8.34957 3.81575 4.92509 8.07568 9.28354 numMergedOcc 0
18 mol 88 unq 0 iso 0 dist 7.80898 9.07128 9.11654 5.90098 11.1055 6.1847 numMergedOcc 0
19 mol 88 unq 1 iso 0 dist 7.80898 6.65615 10.8983 5.90098 11.1055 4.70557 numMergedOcc 0
20 mol 88 unq 2 iso 0 dist 7.80898 6.65615 10.8983 6.95868 12.9048 9.08952 numMergedOcc 0
21 mol 127 unq 0 iso 0 dist 7.79505 6.80627 11.1934 9.79266 16.221 7.79077 numMergedOcc 0
22 mol 141 unq 0 iso 0 dist 8.07097 7.46621 8.53163 7.57216 10.25 6.40751 numMergedOcc 0
23 mol 143 unq 0 iso 0 dist 7.36975 8.99891 14.4074 5.44503 8.18023 8.08798 numMergedOcc 0
24 mol 143 unq 1 iso 0 dist 5.40637 8.99891 5.94217 5.44503 7.46803 8.08798 numMergedOcc 0
25 mol 181 unq 0 iso 0 dist 8.59874 9.70481 18.0236 5.88819 12.3788 7.61421 numMergedOcc 0
26 mol 181 unq 1 iso 0 dist 6.64173 8.29467 5.09584 6.7991 9.09234 6.91878 numMergedOcc 0
27 mol 181 unq 2 iso 0 dist 9.01624 8.29467 11.4645 6.7991 6.76746 6.91878 numMergedOcc 0
28 mol 181 unq 3 iso 0 dist 9.55105 8.29467 11.5807 6.7991 8.92098 6.91878 numMergedOcc 0
29 mol 197 unq 0 iso 0 dist 9.10817 9.23086 17.435 5.2908 9.27218 9.77656 numMergedOcc 0
30 mol 197 unq 1 iso 0 dist 9.73548 9.23086 4.91041 5.2908 11.3514 9.77656 numMergedOcc 0
31 mol 218 unq 0 iso 0 dist 7.33709 7.84952 13.5381 7.47048 12.5343 8.5244 numMergedOcc 0
32 mol 251 unq 0 iso 0 dist 7.39775 8.45764 5.79539 10.7711 13.3472 9.55854 numMergedOcc 0
33 mol 251 unq 1 iso 0 dist 6.50357 8.45764 3.45567 10.7711 11.6024 9.55854 numMergedOcc 0
34 mol 287 unq 0 iso 0 dist 7.45616 5.30118 3.66473 7.23534 8.59762 5.50067 numMergedOcc 0
35 mol 288 unq 0 iso 0 dist 7.45616 5.30118 3.66473 7.23534 8.59762 5.50067 numMergedOcc 0
36 mol 289 unq 0 iso 0 dist 7.45616 5.30118 3.66473 7.23534 8.59762 5.50067 numMergedOcc 0
37 mol 292 unq 0 iso 0 dist 9.46442 9.96374 3.08474 12.1551 5.84792 3.93401 numMergedOcc 0
38 mol 292 unq 1 iso 0 dist 7.30758 9.96374 6.12546 12.1551 8.73515 3.93401 numMergedOcc 0
39 mol 292 unq 2 iso 0 dist 9.5785 9.96374 12.0714 12.1551 15.8988 3.93401 numMergedOcc 0
40 mol 292 unq 3 iso 0 dist 9.76319 9.96374 12.7236 12.1551 15.8206 3.93401 numMergedOcc 0
