0 mol 9 unq 0 iso 0 dist 9.9919 7.74667 7.38017 5.95912 6.20227 3.98483 15.4961 10.6533 8.57077 9.78006 numMergedOcc 0
1 mol 85 unq 0 iso 0 dist 9.27456 4.49 8.77199 4.39271 6.00564 6.37974 11.847 6.62562 11.3023 8.00777 numMergedOcc 0
2 mol 85 unq 1 iso 0 dist 9.27456 4.49 8.77199 4.39271 6.00564 6.37974 9.89682 5.46695 7.97049 7.1589 numMergedOcc 0
3 mol 85 unq 2 iso 0 dist 9.27456 5.8457 8.81824 4.39271 6.00564 5.08358 11.847 6.62562 7.95579 8.00777 numMergedOcc 0
4 mol 85 unq 3 iso 0 dist 9.27456 5.8457 8.81824 4.39271 6.00564 5.08358 9.89682 5.46695 6.19965 7.1589 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 6.29634 12.1192 8.20715 9.79485 8.81779 7.61939 8.44385 4.55137 9.87172 7.99857 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 6.29634 12.1192 8.20715 9.79485 8.81779 7.61939 5.63005 6.42493 12.6489 8.56342 numMergedOcc 0
7 mol 119 unq 2 iso 0 dist 6.29634 5.3154 6.16081 9.79485 8.81779 10.326 8.44385 4.55137 10.1813 7.99857 numMergedOcc 0
8 mol 119 unq 3 iso 0 dist 6.29634 5.3154 6.16081 9.79485 8.81779 10.326 5.63005 6.42493 9.72413 8.56342 numMergedOcc 0
9 mol 162 unq 0 iso 0 dist 8.99034 6.00067 9.48488 5.5367 6.00293 5.45934 9.97921 5.05715 11.4903 6.20182 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 8.49856 4.27736 6.62757 6.61278 6.59925 4.24624 12.4261 13.4456 9.29945 8.0154 numMergedOcc 0
11 mol 186 unq 0 iso 0 dist 8.71602 4.94882 9.16817 10.2652 7.9637 13.586 12.8417 6.67453 14.9701 7.28841 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 9.05875 7.65735 7.06087 11.6166 7.48626 6.214 17.1928 10.2428 11.9355 6.38157 numMergedOcc 0
13 mol 218 unq 0 iso 0 dist 6.02521 4.94196 6.48765 5.68266 6.45821 5.282 11.7899 7.79008 11.7007 8.0751 numMergedOcc 0
14 mol 251 unq 0 iso 0 dist 6.32455 12.3975 9.207 9.21735 6.12282 14.7239 7.4878 7.703 16.0401 8.01198 numMergedOcc 0
15 mol 276 unq 0 iso 0 dist 6.11207 10.8564 8.75833 8.39039 9.2211 13.5875 14.7905 13.6248 17.3942 6.70215 numMergedOcc 0
16 mol 276 unq 1 iso 0 dist 6.11207 10.8564 8.75833 8.39039 9.2211 13.5875 14.2096 13.7566 19.7861 7.25423 numMergedOcc 0
17 mol 276 unq 2 iso 0 dist 6.11207 10.8564 8.75833 8.39039 9.2211 13.5875 11.5859 13.2807 20.2348 7.88706 numMergedOcc 0
18 mol 276 unq 3 iso 0 dist 6.11207 10.8564 8.75833 8.39039 9.2211 13.5875 10.1967 6.04845 10.8211 7.23916 numMergedOcc 0
