0 mol 7 unq 0 iso 0 dist 5.77374 9.8603 5.70161 13.8384 10.0158 5.72491 numMergedOcc 0
1 mol 7 unq 1 iso 0 dist 8.57437 9.8603 4.57188 13.8384 10.2615 5.72491 numMergedOcc 0
2 mol 9 unq 0 iso 0 dist 6.76332 8.46229 5.41626 7.36079 5.87266 7.05346 numMergedOcc 0
3 mol 44 unq 0 iso 0 dist 7.85573 7.78905 6.07691 7.37043 8.6578 7.52117 numMergedOcc 0
4 mol 44 unq 1 iso 0 dist 6.21423 9.44909 6.07691 6.36853 8.6578 7.52117 numMergedOcc 0
5 mol 56 unq 0 iso 0 dist 9.52763 7.20538 7.91078 9.91757 13.9148 6.77886 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 7.51457 8.85372 6.48988 6.90782 11.1793 7.77916 numMergedOcc 0
7 mol 73 unq 0 iso 0 dist 5.58346 6.18305 5.2774 11.4574 13.0088 8.73253 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 9.10386 6.18305 5.44275 11.4574 10.5067 8.73253 numMergedOcc 0
9 mol 73 unq 2 iso 0 dist 9.87177 8.06168 4.49951 9.33688 9.48095 5.16364 numMergedOcc 0
10 mol 73 unq 3 iso 0 dist 6.70925 8.67532 4.49951 13.4716 9.48095 5.16364 numMergedOcc 0
11 mol 103 unq 0 iso 0 dist 9.81273 4.99966 10.6649 5.71094 6.51666 9.44561 numMergedOcc 0
12 mol 103 unq 1 iso 0 dist 6.67575 4.99966 6.35372 5.71094 8.21549 9.44561 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 8.39253 6.40546 11.6714 6.00304 12.7658 6.98934 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 8.39253 6.40546 11.6714 6.64646 14.9421 7.99623 numMergedOcc 0
15 mol 119 unq 2 iso 0 dist 9.44788 8.44385 14.8957 9.79485 19.0418 7.99857 numMergedOcc 0
16 mol 119 unq 3 iso 0 dist 9.44788 5.63005 12.1168 9.79485 19.0418 8.56342 numMergedOcc 0
17 mol 119 unq 4 iso 0 dist 9.44788 5.63005 12.1168 6.81112 14.0779 6.37542 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 8.77869 8.25167 6.71523 5.49559 7.34321 8.00506 numMergedOcc 0
19 mol 180 unq 0 iso 0 dist 5.43774 9.88732 9.76368 12.4792 15.1032 9.18528 numMergedOcc 0
20 mol 180 unq 1 iso 0 dist 8.31061 5.77949 9.76368 8.4927 15.1032 9.18528 numMergedOcc 0
21 mol 212 unq 0 iso 0 dist 7.73701 8.062 9.7586 11.009 13.6617 6.29767 numMergedOcc 0
22 mol 212 unq 1 iso 0 dist 7.73701 8.062 9.7586 12.2246 14.7241 8.74585 numMergedOcc 0
23 mol 218 unq 0 iso 0 dist 6.2441 7.0843 9.92743 5.77167 11.6289 6.29367 numMergedOcc 0
24 mol 218 unq 1 iso 0 dist 6.2441 7.0843 9.92743 13.9605 17.4781 8.86175 numMergedOcc 0
25 mol 218 unq 2 iso 0 dist 6.2441 7.73315 12.0573 9.58139 15.5533 8.06216 numMergedOcc 0
26 mol 218 unq 3 iso 0 dist 6.2441 7.73315 12.0573 5.77167 11.6289 5.76954 numMergedOcc 0
27 mol 218 unq 4 iso 0 dist 6.2441 7.73315 12.0573 13.9605 17.4781 6.29511 numMergedOcc 0
28 mol 218 unq 5 iso 0 dist 6.2441 6.9398 8.31343 5.77167 11.6289 9.20961 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 9.36753 7.86368 6.16697 6.83465 4.7359 7.5366 numMergedOcc 0
30 mol 234 unq 1 iso 0 dist 6.56262 7.50424 4.93539 11.6788 13.3223 9.007 numMergedOcc 0
31 mol 257 unq 0 iso 0 dist 8.9297 9.83721 13.2456 11.6666 16.4574 9.69696 numMergedOcc 0
32 mol 258 unq 0 iso 0 dist 9.4886 5.73834 8.31011 10.6333 17.6655 9.53063 numMergedOcc 0
33 mol 264 unq 0 iso 0 dist 9.8799 7.36905 13.9464 5.7394 9.66538 7.52281 numMergedOcc 0
34 mol 264 unq 1 iso 0 dist 9.8799 6.83408 5.11257 5.7394 9.66538 6.42588 numMergedOcc 0
