0 mol 9 unq 0 iso 0 dist 8.46229 8.77074 9.87669 17.4675 14.8403 9.27637 numMergedOcc 0
1 mol 20 unq 0 iso 0 dist 7.11633 9.47968 6.38533 12.6153 14.0449 8.72023 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 9.54519 8.70141 4.33963 13.2653 5.54419 4.93188 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 9.54519 8.70141 4.33963 5.80023 7.36323 9.24958 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 8.88413 5.97432 10.1525 6.17631 12.9968 5.81959 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 8.88413 5.97432 10.1525 5.59268 7.17969 6.90155 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 9.87281 5.97432 7.63409 6.17631 7.31767 5.81959 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 9.87281 5.97432 7.63409 5.59268 12.4135 6.90155 numMergedOcc 0
8 mol 25 unq 4 iso 0 dist 7.63928 5.97432 8.4666 6.17631 6.03987 5.81959 numMergedOcc 0
9 mol 25 unq 5 iso 0 dist 7.63928 5.97432 8.4666 5.59268 11.6743 6.90155 numMergedOcc 0
10 mol 45 unq 0 iso 0 dist 7.19021 6.15568 5.73693 4.18584 6.43774 6.06454 numMergedOcc 0
11 mol 45 unq 1 iso 0 dist 7.19021 6.15568 5.73693 9.0702 7.2846 9.44459 numMergedOcc 0
12 mol 71 unq 0 iso 0 dist 7.35142 7.23173 6.6504 4.93292 7.38797 7.77916 numMergedOcc 0
13 mol 112 unq 0 iso 0 dist 7.53905 7.98999 11.7428 6.68714 11.438 7.23962 numMergedOcc 0
14 mol 112 unq 1 iso 0 dist 7.53905 7.98999 11.7428 10.8795 17.4583 9.00067 numMergedOcc 0
15 mol 112 unq 2 iso 0 dist 7.53905 7.98999 11.7428 13.2606 19.9708 9.89499 numMergedOcc 0
16 mol 112 unq 3 iso 0 dist 7.53905 7.98999 11.7428 6.71889 13.9719 7.30204 numMergedOcc 0
17 mol 112 unq 4 iso 0 dist 7.15985 7.98999 3.98564 6.68714 9.60462 7.23962 numMergedOcc 0
18 mol 112 unq 5 iso 0 dist 7.15985 7.98999 3.98564 10.8795 11.192 9.00067 numMergedOcc 0
19 mol 112 unq 6 iso 0 dist 7.15985 7.98999 3.98564 13.2606 10.9806 9.89499 numMergedOcc 0
20 mol 112 unq 7 iso 0 dist 7.15985 7.98999 3.98564 6.71889 7.45389 7.30204 numMergedOcc 0
21 mol 130 unq 0 iso 0 dist 5.49877 7.39532 5.97111 3.96103 8.70949 8.33077 numMergedOcc 0
22 mol 130 unq 1 iso 0 dist 5.49877 6.62468 6.97875 13.474 15.2264 9.28592 numMergedOcc 0
23 mol 210 unq 0 iso 0 dist 8.62103 7.31388 9.59996 3.84723 6.18308 5.37446 numMergedOcc 0
24 mol 236 unq 0 iso 0 dist 5.66569 8.38439 7.00028 4.15973 6.27581 8.50331 numMergedOcc 0
25 mol 251 unq 0 iso 0 dist 8.39644 8.38382 14.7239 8.64172 16.0401 8.01198 numMergedOcc 0
26 mol 252 unq 0 iso 0 dist 6.1197 5.22349 6.66384 8.32163 11.3142 6.11473 numMergedOcc 0
27 mol 252 unq 1 iso 0 dist 6.1197 9.81593 14.2073 8.32163 11.3142 8.47784 numMergedOcc 0
28 mol 252 unq 2 iso 0 dist 6.1197 9.81593 14.2073 10.6815 16.6123 8.66469 numMergedOcc 0
29 mol 264 unq 0 iso 0 dist 7.36905 8.28871 4.48907 11.5671 10.4298 6.04162 numMergedOcc 0
30 mol 264 unq 1 iso 0 dist 7.36905 8.28871 4.48907 13.8765 9.90113 6.14323 numMergedOcc 0
31 mol 264 unq 2 iso 0 dist 6.83408 8.28871 10.1591 11.5671 12.864 6.04162 numMergedOcc 0
32 mol 264 unq 3 iso 0 dist 6.83408 8.28871 10.1591 13.8765 13.9815 6.14323 numMergedOcc 0
33 mol 274 unq 0 iso 0 dist 9.71801 6.63662 13.9495 4.37547 13.9359 7.4099 numMergedOcc 0
34 mol 274 unq 1 iso 0 dist 9.71801 9.89698 10.0584 16.8679 17.0082 7.52109 numMergedOcc 0
35 mol 274 unq 2 iso 0 dist 9.71801 7.65671 5.90436 5.9882 7.56915 9.56685 numMergedOcc 0
36 mol 274 unq 3 iso 0 dist 9.71801 7.3996 9.27829 5.9882 7.56915 8.49922 numMergedOcc 0
37 mol 277 unq 0 iso 0 dist 8.11838 5.70326 4.67953 9.08161 14.0223 9.3936 numMergedOcc 0
38 mol 277 unq 1 iso 0 dist 7.88897 5.70326 8.29849 9.08161 16.1696 9.3936 numMergedOcc 0
