0 mol 16 unq 0 iso 0 dist 6.61114 11.8738 8.4361 6.50294 4.86568 5.39064 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.32791 6.06435 6.28033 5.28404 4.7319 5.40044 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 6.75381 10.8855 8.59049 5.50193 4.7319 5.70228 numMergedOcc 0
3 mol 51 unq 0 iso 0 dist 5.67627 8.40797 9.23497 11.4974 9.0709 6.03084 numMergedOcc 0
4 mol 52 unq 0 iso 0 dist 8.52979 11.2457 5.26018 11.4352 9.80098 12.8491 numMergedOcc 0
5 mol 52 unq 1 iso 0 dist 8.52979 11.2457 5.26018 14.6092 7.34143 10.3287 numMergedOcc 0
6 mol 52 unq 2 iso 0 dist 8.52979 10.6296 7.1203 11.4352 9.80098 5.92851 numMergedOcc 0
7 mol 52 unq 3 iso 0 dist 8.52979 10.6296 7.1203 14.6092 7.34143 6.03647 numMergedOcc 0
8 mol 52 unq 4 iso 0 dist 9.6112 12.3677 7.70026 9.99897 7.34143 13.9113 numMergedOcc 0
9 mol 52 unq 5 iso 0 dist 6.08894 9.76622 7.70026 6.01116 7.34143 13.9113 numMergedOcc 0
10 mol 52 unq 6 iso 0 dist 9.02308 13.0792 7.70026 4.98024 7.34143 13.9113 numMergedOcc 0
11 mol 90 unq 0 iso 0 dist 8.14057 6.81831 8.44515 7.39819 5.83409 6.1985 numMergedOcc 0
12 mol 90 unq 1 iso 0 dist 8.14057 13.8336 9.41382 7.39819 5.83409 6.45992 numMergedOcc 0
13 mol 95 unq 0 iso 0 dist 8.06457 13.0116 9.72688 4.165 7.88289 9.68673 numMergedOcc 0
14 mol 95 unq 1 iso 0 dist 8.06457 13.0116 9.72688 7.84998 9.01083 15.0368 numMergedOcc 0
15 mol 115 unq 0 iso 0 dist 6.61066 5.87235 6.04412 6.06993 4.99221 5.24229 numMergedOcc 0
16 mol 129 unq 0 iso 0 dist 9.06272 10.1595 6.23966 8.2292 9.61051 5.16275 numMergedOcc 0
17 mol 129 unq 1 iso 0 dist 9.06272 10.1595 6.23966 10.7142 5.83384 6.65856 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 7.49404 6.8279 9.33945 7.91807 8.40312 12.3624 numMergedOcc 0
19 mol 131 unq 1 iso 0 dist 6.44766 4.7712 8.99949 7.69184 6.85062 11.3502 numMergedOcc 0
20 mol 133 unq 0 iso 0 dist 9.45717 6.30204 8.43069 4.28997 6.82262 7.33132 numMergedOcc 0
21 mol 134 unq 0 iso 0 dist 8.5778 12.5781 5.57904 10.2414 6.54501 7.41837 numMergedOcc 0
22 mol 134 unq 1 iso 0 dist 8.5778 12.5781 5.57904 13.5276 6.49416 6.50005 numMergedOcc 0
23 mol 142 unq 0 iso 0 dist 6.91573 6.71726 7.15087 12.444 9.2313 8.68855 numMergedOcc 0
24 mol 142 unq 1 iso 0 dist 6.91573 6.71726 7.15087 7.18287 5.31024 5.50176 numMergedOcc 0
25 mol 186 unq 0 iso 0 dist 8.58465 8.13048 5.16813 10.9291 9.70748 5.87924 numMergedOcc 0
26 mol 186 unq 1 iso 0 dist 8.58465 8.13048 5.16813 6.37463 7.54065 8.61343 numMergedOcc 0
27 mol 186 unq 2 iso 0 dist 8.58465 8.13048 5.16813 5.22923 8.87694 11.0854 numMergedOcc 0
28 mol 220 unq 0 iso 0 dist 9.05754 13.0201 6.21273 15.9524 9.23153 5.1021 numMergedOcc 0
29 mol 220 unq 1 iso 0 dist 9.05754 13.0201 6.21273 10.0641 8.24498 6.29601 numMergedOcc 0
30 mol 222 unq 0 iso 0 dist 8.81925 13.6437 5.47561 9.75789 8.01589 10.6375 numMergedOcc 0
31 mol 222 unq 1 iso 0 dist 8.81925 13.6437 5.47561 12.7799 7.7699 5.39098 numMergedOcc 0
32 mol 222 unq 2 iso 0 dist 8.81925 13.6437 5.47561 12.5625 7.21333 5.60111 numMergedOcc 0
33 mol 232 unq 0 iso 0 dist 6.94983 7.52857 9.95045 5.08111 8.27212 12.5761 numMergedOcc 0
34 mol 239 unq 0 iso 0 dist 9.73858 8.96514 8.61729 7.43079 6.16342 7.02319 numMergedOcc 0
35 mol 264 unq 0 iso 0 dist 6.20796 10.2364 6.8902 6.9758 9.17653 12.3593 numMergedOcc 0
36 mol 264 unq 1 iso 0 dist 7.73693 13.3619 6.8902 5.00433 9.17653 12.3593 numMergedOcc 0
37 mol 278 unq 0 iso 0 dist 8.62414 8.86677 8.83775 12.2316 8.44326 4.66992 numMergedOcc 0
