0 mol 10 unq 0 iso 0 dist 6.02154 5.96121 7.14537 9.53377 5.83346 6.18431 numMergedOcc 0
1 mol 21 unq 0 iso 0 dist 9.35562 4.20216 7.05407 6.93185 3.76294 5.63735 numMergedOcc 0
2 mol 26 unq 0 iso 0 dist 6.79475 5.11733 8.96682 5.497 5.39199 6.7142 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 7.08841 4.60536 5.09702 10.583 8.16431 9.41017 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 7.79336 4.22398 7.01952 8.90835 7.68459 6.88052 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 7.08559 4.22398 4.58552 8.90835 5.70782 6.88052 numMergedOcc 0
6 mol 34 unq 2 iso 0 dist 8.63635 8.82586 4.58552 12.04 5.70782 6.88052 numMergedOcc 0
7 mol 39 unq 0 iso 0 dist 7.30265 5.88718 5.27182 6.47855 3.91611 6.13351 numMergedOcc 0
8 mol 76 unq 0 iso 0 dist 9.4866 4.00608 9.59729 7.03226 10.1364 7.46095 numMergedOcc 0
9 mol 76 unq 1 iso 0 dist 9.40363 11.915 9.59729 16.0364 10.1364 7.46095 numMergedOcc 0
10 mol 79 unq 0 iso 0 dist 6.52939 4.1859 8.64934 9.63599 9.51372 9.77084 numMergedOcc 0
11 mol 79 unq 1 iso 0 dist 6.52939 8.68431 8.7515 9.63599 9.51372 6.5551 numMergedOcc 0
12 mol 112 unq 0 iso 0 dist 6.12922 4.22481 7.31064 9.70559 5.08111 9.26353 numMergedOcc 0
13 mol 134 unq 0 iso 0 dist 7.43401 9.48887 8.62504 8.55616 6.93712 9.0176 numMergedOcc 0
14 mol 143 unq 0 iso 0 dist 7.46803 9.4389 9.29944 13.204 10.0079 5.06564 numMergedOcc 0
15 mol 143 unq 1 iso 0 dist 7.46803 9.4389 9.29944 13.8861 9.05366 7.5373 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 6.76746 5.82984 9.92831 7.05653 11.9796 8.06308 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.25339 5.92278 5.86483 9.82146 5.65634 6.56416 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 9.32333 4.18074 6.396 9.82588 5.66395 9.24936 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 7.79951 4.09934 6.09335 12.2922 10.5007 9.18728 numMergedOcc 0
20 mol 227 unq 1 iso 0 dist 7.79951 4.09934 6.09335 7.57454 12.8337 8.91971 numMergedOcc 0
21 mol 273 unq 0 iso 0 dist 9.35749 4.42663 9.02537 8.85779 10.5462 5.61969 numMergedOcc 0
22 mol 273 unq 1 iso 0 dist 9.35749 4.42663 9.02537 12.753 11.5353 9.0277 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 6.1905 6.87619 6.22943 5.7131 3.92782 8.6233 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 5.84792 6.87619 9.23612 5.7131 5.93687 8.6233 numMergedOcc 0
