0 mol 15 unq 0 iso 0 dist 8.83891 6.3431 8.85174 4.96682 9.51568 6.67334 numMergedOcc 0
1 mol 53 unq 0 iso 0 dist 5.63499 5.55291 7.28228 6.7198 7.11695 5.50513 numMergedOcc 0
2 mol 53 unq 1 iso 0 dist 5.63499 5.55291 7.28228 10.1162 7.58093 10.8486 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 9.83555 10.3756 8.3733 15.3438 8.96498 10.331 numMergedOcc 0
4 mol 76 unq 0 iso 0 dist 6.55112 8.73236 8.13108 6.14439 9.4866 10.963 numMergedOcc 0
5 mol 76 unq 1 iso 0 dist 6.55112 8.73236 8.13108 5.70125 9.40363 7.18506 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 8.40389 5.0333 5.7144 10.7702 5.51885 6.95201 numMergedOcc 0
7 mol 133 unq 0 iso 0 dist 8.88752 10.9364 8.77023 14.4059 8.55349 9.53782 numMergedOcc 0
8 mol 134 unq 0 iso 0 dist 4.73115 5.57177 5.35237 9.50813 6.57379 8.96357 numMergedOcc 0
9 mol 134 unq 1 iso 0 dist 4.73115 10.8108 7.99477 9.50813 6.57379 5.9915 numMergedOcc 0
10 mol 134 unq 2 iso 0 dist 8.73668 14.5913 6.42772 13.6923 6.44575 5.31077 numMergedOcc 0
11 mol 134 unq 3 iso 0 dist 8.73668 11.9734 9.1998 13.6923 6.44575 6.74887 numMergedOcc 0
12 mol 134 unq 4 iso 0 dist 8.73668 5.57177 8.70621 13.6923 6.44575 10.9715 numMergedOcc 0
13 mol 155 unq 0 iso 0 dist 8.99128 14.7612 8.97626 6.51504 7.29911 12.8482 numMergedOcc 0
14 mol 155 unq 1 iso 0 dist 8.99128 14.7612 8.97626 6.6805 5.36254 8.27726 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 9.76579 5.74656 6.84752 12.3819 7.30954 7.69326 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 9.76579 11.2312 7.86563 12.3819 7.30954 9.46955 numMergedOcc 0
17 mol 167 unq 2 iso 0 dist 9.76579 6.67469 7.02548 12.3819 7.30954 6.36909 numMergedOcc 0
18 mol 168 unq 0 iso 0 dist 5.51167 10.9775 6.02086 7.08042 7.06851 8.67522 numMergedOcc 0
19 mol 181 unq 0 iso 0 dist 5.97971 10.8374 9.01624 5.20775 6.76746 6.7991 numMergedOcc 0
20 mol 181 unq 1 iso 0 dist 5.97971 4.62576 5.05973 5.20775 6.76746 8.35755 numMergedOcc 0
21 mol 181 unq 2 iso 0 dist 8.72747 11.9541 9.01624 8.17808 6.76746 6.7991 numMergedOcc 0
22 mol 181 unq 3 iso 0 dist 8.72747 4.80932 5.05973 8.17808 6.76746 8.35755 numMergedOcc 0
23 mol 181 unq 4 iso 0 dist 8.23845 8.672 9.01624 5.64849 6.76746 6.7991 numMergedOcc 0
24 mol 181 unq 5 iso 0 dist 8.23845 6.42223 5.05973 5.64849 6.76746 8.35755 numMergedOcc 0
25 mol 197 unq 0 iso 0 dist 7.86042 7.17757 9.10817 10.8745 9.27218 5.2908 numMergedOcc 0
26 mol 197 unq 1 iso 0 dist 7.86042 5.75906 6.86828 10.8745 9.27218 6.23998 numMergedOcc 0
27 mol 224 unq 0 iso 0 dist 8.565 6.57808 8.08349 12.7336 5.73591 10.7113 numMergedOcc 0
28 mol 224 unq 1 iso 0 dist 8.565 6.57808 8.08349 12.6219 8.55345 11.4491 numMergedOcc 0
29 mol 224 unq 2 iso 0 dist 8.565 6.64754 9.78218 12.7336 5.73591 11.4252 numMergedOcc 0
30 mol 224 unq 3 iso 0 dist 8.565 6.64754 9.78218 12.6219 8.55345 9.14568 numMergedOcc 0
31 mol 238 unq 0 iso 0 dist 5.52788 10.313 9.12776 13.4031 9.84652 8.82861 numMergedOcc 0
32 mol 238 unq 1 iso 0 dist 5.52788 7.04671 9.72188 13.4031 9.84652 15.5674 numMergedOcc 0
33 mol 279 unq 0 iso 0 dist 8.34313 4.51031 6.35028 6.78493 8.92667 5.14235 numMergedOcc 0
34 mol 279 unq 1 iso 0 dist 8.34313 4.51031 6.35028 10.8816 6.0283 7.69081 numMergedOcc 0
