0 mol 59 unq 0 iso 0 dist 9.41952 10.4376 7.80026 14.9547 14.6616 8.35444 numMergedOcc 0
1 mol 67 unq 0 iso 0 dist 8.34804 3.77705 6.44825 5.70192 13.1761 8.96498 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 7.25561 6.69911 8.12959 14.6648 12.0704 9.4866 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 7.25561 6.69911 8.12959 8.6411 8.78942 9.40363 numMergedOcc 0
4 mol 76 unq 2 iso 0 dist 8.97499 3.94216 8.12959 12.6331 12.0704 9.4866 numMergedOcc 0
5 mol 76 unq 3 iso 0 dist 8.97499 3.94216 8.12959 8.94956 8.78942 9.40363 numMergedOcc 0
6 mol 133 unq 0 iso 0 dist 7.17051 3.75291 5.9959 6.73897 8.01541 8.50705 numMergedOcc 0
7 mol 155 unq 0 iso 0 dist 5.16143 5.05961 5.55218 9.75385 5.49358 7.29911 numMergedOcc 0
8 mol 155 unq 1 iso 0 dist 5.16143 5.05961 5.55218 8.02593 7.00069 5.36254 numMergedOcc 0
9 mol 155 unq 2 iso 0 dist 8.08392 5.68679 5.55218 7.50392 5.49358 7.29911 numMergedOcc 0
10 mol 155 unq 3 iso 0 dist 8.08392 5.68679 5.55218 8.77391 7.00069 5.36254 numMergedOcc 0
11 mol 173 unq 0 iso 0 dist 8.84813 5.21212 6.95244 13.589 8.94838 8.62366 numMergedOcc 0
12 mol 173 unq 1 iso 0 dist 8.84813 11.2286 6.11224 13.589 8.94838 6.52508 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 8.40718 12.5259 5.81438 14.0483 5.64245 5.3819 numMergedOcc 0
14 mol 217 unq 0 iso 0 dist 8.72578 3.59923 6.58871 12.3499 5.56523 9.59084 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 7.47852 11.1052 8.94981 11.6412 13.2718 8.91356 numMergedOcc 0
16 mol 225 unq 1 iso 0 dist 7.47852 11.1052 8.94981 20.566 17.5728 9.59574 numMergedOcc 0
17 mol 225 unq 2 iso 0 dist 6.22332 13.5289 8.94981 16.1602 13.2718 8.91356 numMergedOcc 0
18 mol 225 unq 3 iso 0 dist 6.22332 13.5289 8.94981 22.5914 17.5728 9.59574 numMergedOcc 0
19 mol 234 unq 0 iso 0 dist 9.24066 4.86668 8.68934 10.1461 8.2025 8.27411 numMergedOcc 0
20 mol 234 unq 1 iso 0 dist 9.24066 4.86668 8.68934 11.3371 10.6553 7.36208 numMergedOcc 0
21 mol 238 unq 0 iso 0 dist 8.93135 10.2069 8.31815 9.94175 5.32456 9.38131 numMergedOcc 0
22 mol 238 unq 1 iso 0 dist 8.93135 10.2069 8.31815 13.2376 6.26991 6.85253 numMergedOcc 0
23 mol 238 unq 2 iso 0 dist 8.93135 10.2069 8.31815 14.7521 15.7932 9.08687 numMergedOcc 0
24 mol 238 unq 3 iso 0 dist 9.29888 16.4705 9.67281 12.2552 11.7895 9.84652 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 8.06908 5.49348 8.40328 10.5864 10.0667 6.23661 numMergedOcc 0
26 mol 272 unq 0 iso 0 dist 7.38085 3.7218 5.38409 11.6311 10.6582 8.84523 numMergedOcc 0
27 mol 273 unq 0 iso 0 dist 9.80002 15.8245 6.95569 13.6354 10.5519 9.06937 numMergedOcc 0
28 mol 273 unq 1 iso 0 dist 6.73794 13.255 6.95569 15.1895 10.5519 9.06937 numMergedOcc 0
29 mol 286 unq 0 iso 0 dist 8.97304 9.05338 6.64391 15.4008 10.4495 7.31896 numMergedOcc 0
