0 mol 21 unq 0 iso 0 dist 6.93185 9.35562 3.76294 4.20216 5.63735 7.05407 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.15893 6.79475 6.64374 5.11733 9.78042 8.96682 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 5.497 6.79475 5.39199 5.11733 6.7142 8.96682 numMergedOcc 0
3 mol 29 unq 0 iso 0 dist 7.9067 7.08841 9.25868 4.60536 11.0215 5.09702 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 8.90835 7.79336 7.68459 4.22398 6.88052 7.01952 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 8.90835 7.08559 5.70782 4.22398 6.88052 4.58552 numMergedOcc 0
6 mol 39 unq 0 iso 0 dist 6.47855 7.30265 3.91611 5.88718 6.13351 5.27182 numMergedOcc 0
7 mol 39 unq 1 iso 0 dist 6.47855 7.30265 3.91611 9.13695 11.242 9.75289 numMergedOcc 0
8 mol 39 unq 2 iso 0 dist 6.47855 7.30265 3.91611 10.424 9.49942 9.12545 numMergedOcc 0
9 mol 59 unq 0 iso 0 dist 9.52272 8.35444 14.2005 8.12865 14.8187 8.66724 numMergedOcc 0
10 mol 76 unq 0 iso 0 dist 7.03226 9.4866 10.1364 4.00608 7.46095 9.59729 numMergedOcc 0
11 mol 79 unq 0 iso 0 dist 9.63599 6.52939 9.51372 4.1859 9.77084 8.64934 numMergedOcc 0
12 mol 79 unq 1 iso 0 dist 9.63599 6.52939 9.51372 8.68431 6.5551 8.7515 numMergedOcc 0
13 mol 115 unq 0 iso 0 dist 7.52142 7.65255 6.44969 5.65471 10.2171 7.65564 numMergedOcc 0
14 mol 115 unq 1 iso 0 dist 7.70313 8.0168 10.3264 5.78043 11.7584 7.65564 numMergedOcc 0
15 mol 134 unq 0 iso 0 dist 8.55616 7.43401 6.93712 9.48887 9.0176 8.62504 numMergedOcc 0
16 mol 134 unq 1 iso 0 dist 6.21403 5.73203 4.07076 4.44936 8.68148 8.14226 numMergedOcc 0
17 mol 134 unq 2 iso 0 dist 6.21403 6.57379 6.32315 4.44936 8.68148 5.78982 numMergedOcc 0
18 mol 143 unq 0 iso 0 dist 9.30424 7.46803 4.06908 9.4389 13.1773 9.29944 numMergedOcc 0
19 mol 157 unq 0 iso 0 dist 6.455 6.4431 3.89036 9.61577 10.9803 8.40821 numMergedOcc 0
20 mol 157 unq 1 iso 0 dist 6.455 6.4431 3.89036 7.32006 11.6885 9.86925 numMergedOcc 0
21 mol 181 unq 0 iso 0 dist 7.05653 6.76746 11.9796 5.82984 8.06308 9.92831 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 8.97471 7.25339 3.87082 4.4803 11.2869 8.36129 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 8.97471 7.25339 3.87082 5.92278 9.1853 5.86483 numMergedOcc 0
24 mol 195 unq 0 iso 0 dist 9.82588 9.32333 5.66395 4.18074 9.24936 6.396 numMergedOcc 0
25 mol 204 unq 0 iso 0 dist 9.55606 8.66162 9.96173 9.11693 13.9469 5.00369 numMergedOcc 0
26 mol 204 unq 1 iso 0 dist 7.10526 5.3819 6.65648 8.39741 14.3103 9.26214 numMergedOcc 0
27 mol 204 unq 2 iso 0 dist 7.10526 5.3819 6.65648 4.08137 9.94968 5.00369 numMergedOcc 0
28 mol 227 unq 0 iso 0 dist 7.57454 7.79951 12.8337 4.09934 8.91971 6.09335 numMergedOcc 0
29 mol 237 unq 0 iso 0 dist 5.98039 7.12731 4.08768 6.17314 9.74682 9.86835 numMergedOcc 0
30 mol 237 unq 1 iso 0 dist 9.48932 7.12731 5.64112 6.17314 14.3351 9.86835 numMergedOcc 0
31 mol 273 unq 0 iso 0 dist 8.85779 9.35749 10.5462 4.42663 5.61969 9.02537 numMergedOcc 0
32 mol 292 unq 0 iso 0 dist 5.7131 6.1905 3.92782 6.87619 8.6233 6.22943 numMergedOcc 0
33 mol 292 unq 1 iso 0 dist 5.7131 6.1905 3.92782 11.493 10.9571 9.31056 numMergedOcc 0
34 mol 292 unq 2 iso 0 dist 5.7131 5.84792 5.93687 6.87619 8.6233 9.23612 numMergedOcc 0
