0 mol 16 unq 0 iso 0 dist 8.60935 6.04965 5.05215 6.20183 10.7526 6.29703 numMergedOcc 0
1 mol 90 unq 0 iso 0 dist 9.25793 8.14057 11.8136 11.0399 16.1164 7.49054 numMergedOcc 0
2 mol 95 unq 0 iso 0 dist 9.86611 8.06457 4.12027 4.97314 10.446 8.54906 numMergedOcc 0
3 mol 98 unq 0 iso 0 dist 8.96016 9.58693 12.7375 15.6711 14.4687 9.59261 numMergedOcc 0
4 mol 102 unq 0 iso 0 dist 8.48829 5.79411 6.59891 6.82817 11.3925 9.01767 numMergedOcc 0
5 mol 102 unq 1 iso 0 dist 8.48829 5.79411 6.59891 10.6581 15.1236 9.80678 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 5.51129 6.1421 5.57978 7.55004 10.7832 6.29026 numMergedOcc 0
7 mol 147 unq 0 iso 0 dist 9.47429 9.11046 7.29693 4.02727 10.7873 9.18866 numMergedOcc 0
8 mol 234 unq 0 iso 0 dist 6.8314 9.5181 4.98993 7.03383 9.5831 8.47009 numMergedOcc 0
9 mol 249 unq 0 iso 0 dist 5.98732 9.0157 6.45919 10.0482 10.4945 5.78121 numMergedOcc 0
10 mol 249 unq 1 iso 0 dist 5.98732 9.14351 8.71871 10.0482 10.4945 7.29898 numMergedOcc 0
11 mol 249 unq 2 iso 0 dist 5.98732 9.14351 8.71871 14.5045 15.0362 8.91685 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 7.38265 8.14812 5.29393 4.49451 7.42888 5.73296 numMergedOcc 0
13 mol 259 unq 0 iso 0 dist 8.91236 9.89728 10.3156 16.8866 18.0859 7.93997 numMergedOcc 0
14 mol 276 unq 0 iso 0 dist 9.37008 8.63281 6.23528 11.5683 11.1102 9.05218 numMergedOcc 0
15 mol 277 unq 0 iso 0 dist 8.22261 5.22392 4.627 14.247 11.1581 9.98528 numMergedOcc 0
16 mol 277 unq 1 iso 0 dist 8.22261 8.20217 8.52993 13.4481 13.2934 9.02914 numMergedOcc 0
17 mol 277 unq 2 iso 0 dist 5.70701 5.22392 5.07427 14.247 12.136 9.98528 numMergedOcc 0
18 mol 277 unq 3 iso 0 dist 5.70701 8.20217 10.2752 13.4481 15.7875 9.02914 numMergedOcc 0
19 mol 278 unq 0 iso 0 dist 8.20213 8.62414 7.25786 18.1946 15.9626 9.82774 numMergedOcc 0
20 mol 294 unq 0 iso 0 dist 9.03579 8.98536 13.9089 10.8231 19.4442 9.37818 numMergedOcc 0
