0 mol 15 unq 0 iso 0 dist 6.82187 7.49229 5.89412 12.0227 11.0528 7.07399 8.83891 6.91314 6.23015 5.49251 numMergedOcc 0
1 mol 19 unq 0 iso 0 dist 6.41045 10.4834 8.40416 13.3505 7.67038 7.75618 14.6799 10.4416 8.54034 8.7083 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 8.0319 15.2997 7.29868 23.5364 15.5315 8.4051 15.9164 8.91183 6.61696 10.1698 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 8.0319 15.2997 7.29868 23.5364 15.5315 8.4051 12.1911 5.69214 5.80953 13.6174 numMergedOcc 0
4 mol 24 unq 2 iso 0 dist 8.0319 15.2997 7.29868 15.5112 10.0952 8.60554 15.9164 8.91183 6.61696 14.8647 numMergedOcc 0
5 mol 24 unq 3 iso 0 dist 8.0319 15.2997 7.29868 15.5112 10.0952 8.60554 12.1911 5.69214 5.80953 5.11636 numMergedOcc 0
6 mol 26 unq 0 iso 0 dist 6.12361 6.76331 6.46104 10.117 7.96502 7.36856 10.3597 5.56139 6.07276 7.73394 numMergedOcc 0
7 mol 100 unq 0 iso 0 dist 7.689 12.5859 7.01812 11.1764 5.88134 8.30845 11.7018 4.03277 6.59691 6.23008 numMergedOcc 0
8 mol 100 unq 1 iso 0 dist 9.22737 10.6748 8.30845 12.7823 5.88134 7.01812 13.861 6.23008 6.59691 4.03277 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 8.97762 11.4871 6.16242 15.4305 7.81217 5.87634 11.716 13.0405 8.83732 13.7612 numMergedOcc 0
10 mol 155 unq 0 iso 0 dist 8.57712 10.7516 6.53347 15.3124 7.01918 8.69157 8.99128 7.10286 9.24038 12.6999 numMergedOcc 0
11 mol 170 unq 0 iso 0 dist 9.32245 4.11212 6.35982 11.0677 6.52462 9.10511 9.66676 4.78249 6.47164 4.12764 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 7.7544 7.18433 9.39829 11.1074 8.85576 6.41453 5.97971 5.71898 5.99437 5.93724 numMergedOcc 0
13 mol 181 unq 1 iso 0 dist 7.7544 7.18433 9.39829 11.1074 8.85576 6.41453 9.30874 5.83796 8.4848 5.12833 numMergedOcc 0
14 mol 195 unq 0 iso 0 dist 7.04524 8.71774 9.26504 10.999 10.7531 7.36683 9.20541 6.04871 6.22742 5.41635 numMergedOcc 0
15 mol 274 unq 0 iso 0 dist 8.41236 11.7852 7.46394 17.5092 10.501 9.45514 11.3844 5.22914 7.77765 12.393 numMergedOcc 0
16 mol 274 unq 1 iso 0 dist 8.41236 11.7852 7.46394 17.5092 10.501 9.45514 21.2208 14.7507 9.65868 8.87855 numMergedOcc 0
17 mol 274 unq 2 iso 0 dist 8.41236 11.7852 7.46394 16.1637 14.3919 8.91672 11.3844 5.22914 7.77765 16.5034 numMergedOcc 0
18 mol 274 unq 3 iso 0 dist 8.41236 11.7852 7.46394 16.1637 14.3919 8.91672 21.2208 14.7507 9.65868 12.5615 numMergedOcc 0
19 mol 274 unq 4 iso 0 dist 8.41236 11.7852 7.46394 11.0949 6.15918 7.1729 11.3844 5.22914 7.77765 10.2884 numMergedOcc 0
20 mol 274 unq 5 iso 0 dist 8.41236 11.7852 7.46394 11.0949 6.15918 7.1729 21.2208 14.7507 9.65868 13.0867 numMergedOcc 0
