0 mol 30 unq 0 iso 0 dist 7.83595 7.75449 5.38833 7.88072 7.22162 3.30907 numMergedOcc 0
1 mol 48 unq 0 iso 0 dist 6.04551 8.69374 7.92359 7.49794 13.0811 11.3226 numMergedOcc 0
2 mol 48 unq 1 iso 0 dist 6.31161 8.69374 5.59983 7.49794 5.91316 11.3226 numMergedOcc 0
3 mol 63 unq 0 iso 0 dist 9.35912 9.25631 14.1737 6.89855 10.749 5.98039 numMergedOcc 0
4 mol 91 unq 0 iso 0 dist 5.78962 9.00799 7.15588 8.91998 5.4863 4.52107 numMergedOcc 0
5 mol 91 unq 1 iso 0 dist 5.78962 6.29207 8.74291 8.91998 5.4863 13.7851 numMergedOcc 0
6 mol 120 unq 0 iso 0 dist 9.18835 8.03269 13.298 7.06763 7.47617 8.94045 numMergedOcc 0
7 mol 120 unq 1 iso 0 dist 9.18835 6.55349 9.29137 7.06763 7.47617 6.33005 numMergedOcc 0
8 mol 120 unq 2 iso 0 dist 9.66753 5.85006 9.42691 5.24948 6.77231 3.3085 numMergedOcc 0
9 mol 123 unq 0 iso 0 dist 9.86842 8.74958 12.8839 8.40918 4.42208 13.5444 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 8.98151 7.34368 11.2884 9.64136 4.24788 13.6447 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 8.98459 7.98503 6.79626 9.88912 4.06355 8.91488 numMergedOcc 0
12 mol 162 unq 1 iso 0 dist 8.98459 7.98503 6.79626 9.46218 11.8004 5.62563 numMergedOcc 0
13 mol 162 unq 2 iso 0 dist 8.98459 7.80955 8.44832 9.88912 4.06355 5.77936 numMergedOcc 0
14 mol 162 unq 3 iso 0 dist 8.98459 7.80955 8.44832 9.46218 11.8004 12.2501 numMergedOcc 0
15 mol 162 unq 4 iso 0 dist 8.98459 7.93307 13.1065 9.88912 4.06355 12.3926 numMergedOcc 0
16 mol 162 unq 5 iso 0 dist 8.98459 7.93307 13.1065 9.46218 11.8004 6.41455 numMergedOcc 0
17 mol 165 unq 0 iso 0 dist 9.59989 4.46402 11.4693 9.98689 9.80262 13.1897 numMergedOcc 0
18 mol 165 unq 1 iso 0 dist 9.59989 4.46402 11.4693 5.93144 11.7431 4.12949 numMergedOcc 0
19 mol 184 unq 0 iso 0 dist 9.45847 5.67457 12.5274 8.5544 15.8504 5.05833 numMergedOcc 0
20 mol 184 unq 1 iso 0 dist 7.895 5.67457 8.33714 8.5544 8.94646 5.05833 numMergedOcc 0
21 mol 186 unq 0 iso 0 dist 9.08767 7.62128 14.8895 5.97886 11.6447 3.52454 numMergedOcc 0
22 mol 198 unq 0 iso 0 dist 4.58291 9.44266 6.86808 7.94413 6.52619 4.6846 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 6.88683 7.5725 5.71181 8.01593 7.62813 3.28958 numMergedOcc 0
24 mol 254 unq 0 iso 0 dist 7.53352 8.5291 12.5167 8.30975 9.97794 3.65792 numMergedOcc 0
25 mol 254 unq 1 iso 0 dist 7.53352 8.5291 12.5167 8.10036 9.08435 6.62698 numMergedOcc 0
26 mol 254 unq 2 iso 0 dist 7.53352 8.5291 12.5167 8.96529 13.2196 14.2571 numMergedOcc 0
27 mol 254 unq 3 iso 0 dist 7.53352 9.32852 16.0777 8.30975 9.97794 9.84539 numMergedOcc 0
28 mol 254 unq 4 iso 0 dist 7.53352 9.32852 16.0777 8.10036 9.08435 11.4441 numMergedOcc 0
29 mol 254 unq 5 iso 0 dist 7.53352 9.32852 16.0777 8.96529 13.2196 13.2713 numMergedOcc 0
30 mol 254 unq 6 iso 0 dist 7.80793 8.5291 8.03226 8.30975 4.69026 3.65792 numMergedOcc 0
31 mol 254 unq 7 iso 0 dist 7.80793 8.5291 8.03226 8.10036 4.10825 6.62698 numMergedOcc 0
32 mol 254 unq 8 iso 0 dist 7.80793 8.5291 8.03226 8.96529 13.4679 14.2571 numMergedOcc 0
33 mol 254 unq 9 iso 0 dist 7.80793 9.32852 13.263 8.30975 4.69026 9.84539 numMergedOcc 0
34 mol 254 unq 10 iso 0 dist 7.80793 9.32852 13.263 8.10036 4.10825 11.4441 numMergedOcc 0
35 mol 254 unq 11 iso 0 dist 7.80793 9.32852 13.263 8.96529 13.4679 13.2713 numMergedOcc 0
36 mol 265 unq 0 iso 0 dist 9.56472 9.05568 5.87866 6.18698 12.1988 8.72897 numMergedOcc 0
37 mol 265 unq 1 iso 0 dist 6.5072 9.05568 10.9415 6.18698 8.25438 8.72897 numMergedOcc 0
38 mol 265 unq 2 iso 0 dist 4.03921 9.05568 11.4155 6.18698 4.75288 8.72897 numMergedOcc 0
39 mol 266 unq 0 iso 0 dist 9.77392 9.27812 14.8466 6.48382 16.2409 10.0357 numMergedOcc 0
40 mol 280 unq 0 iso 0 dist 7.02503 7.15389 8.27425 7.00616 3.76721 5.34867 numMergedOcc 0
