0 mol 34 unq 0 iso 0 dist 8.6127 5.08831 8.0991 9.16728 6.38866 6.35031 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.6127 6.54316 8.80175 9.16728 6.38866 5.50427 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.6127 11.3171 8.61637 9.16728 6.38866 3.54863 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 9.25005 5.08831 9.95093 10.7132 9.48125 9.92713 numMergedOcc 0
4 mol 46 unq 0 iso 0 dist 5.92771 6.92761 5.53419 4.38299 3.77542 3.57198 numMergedOcc 0
5 mol 83 unq 0 iso 0 dist 6.72584 11.4378 8.99451 11.4698 7.50925 8.98065 numMergedOcc 0
6 mol 83 unq 1 iso 0 dist 6.72584 11.4378 8.99451 10.6239 6.96722 13.9971 numMergedOcc 0
7 mol 141 unq 0 iso 0 dist 5.35509 11.3904 9.59109 5.22187 4.88514 13.8739 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 7.99127 10.4027 7.2932 10.7652 4.3855 4.5497 numMergedOcc 0
9 mol 168 unq 0 iso 0 dist 6.24232 12.3252 6.12453 8.3462 5.86767 8.8681 numMergedOcc 0
10 mol 168 unq 1 iso 0 dist 6.24232 12.3252 6.12453 10.7396 5.28353 3.73181 numMergedOcc 0
11 mol 168 unq 2 iso 0 dist 8.1953 7.48749 6.12453 13.7178 5.86767 8.8681 numMergedOcc 0
12 mol 168 unq 3 iso 0 dist 8.1953 7.48749 6.12453 9.33959 5.28353 3.73181 numMergedOcc 0
13 mol 169 unq 0 iso 0 dist 9.03941 12.1927 7.85698 9.52806 5.10589 6.28646 numMergedOcc 0
14 mol 169 unq 1 iso 0 dist 9.03941 11.6241 6.35799 9.52806 5.10589 7.83748 numMergedOcc 0
15 mol 169 unq 2 iso 0 dist 8.80004 16.106 9.84538 9.55863 5.10589 14.1141 numMergedOcc 0
16 mol 169 unq 3 iso 0 dist 8.80004 16.106 9.84538 4.68959 4.63336 13.1539 numMergedOcc 0
17 mol 169 unq 4 iso 0 dist 8.80004 16.106 9.84538 5.99532 6.10715 11.6489 numMergedOcc 0
18 mol 198 unq 0 iso 0 dist 7.48253 6.42799 8.78623 9.0575 7.38825 5.92533 numMergedOcc 0
19 mol 198 unq 1 iso 0 dist 6.13687 10.4394 8.78623 5.89703 7.38825 5.92533 numMergedOcc 0
20 mol 213 unq 0 iso 0 dist 7.86605 10.6201 9.34602 7.85961 7.93317 11.5458 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 7.81831 10.2269 8.41013 8.36583 7.96338 6.28944 numMergedOcc 0
22 mol 214 unq 1 iso 0 dist 7.81831 10.2269 8.41013 5.61704 7.42759 7.23583 numMergedOcc 0
23 mol 260 unq 0 iso 0 dist 8.56451 8.62524 6.12343 5.45648 7.04263 3.60349 numMergedOcc 0
24 mol 287 unq 0 iso 0 dist 8.08382 10.1822 8.58427 6.1158 4.68668 9.88575 numMergedOcc 0
25 mol 288 unq 0 iso 0 dist 8.08382 10.1822 8.58427 6.1158 4.68668 9.88575 numMergedOcc 0
26 mol 289 unq 0 iso 0 dist 8.08382 10.1822 8.58427 6.1158 4.68668 9.88575 numMergedOcc 0
