0 mol 16 unq 0 iso 0 dist 6.57331 6.42835 6.09368 6.92781 8.43054 11.0298 5.30082 10.0132 5.94982 10.4366 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 9.49421 6.55597 12.1732 10.9391 9.48085 11.037 5.77929 6.53269 9.16515 6.08585 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 9.49421 7.07751 9.54872 10.9391 9.48085 13.0315 5.77929 6.53269 9.82987 6.08585 numMergedOcc 0
3 mol 58 unq 0 iso 0 dist 8.96727 8.01308 6.20884 4.81926 9.22598 9.55996 5.49591 9.01564 7.11065 9.95364 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 7.4369 8.68662 3.30399 5.4148 9.73086 12.2276 6.56633 6.14542 8.96616 5.11416 numMergedOcc 0
5 mol 98 unq 0 iso 0 dist 7.54889 5.2571 6.70343 13.659 9.64383 14.0897 9.85543 9.25444 9.84703 18.5442 numMergedOcc 0
6 mol 98 unq 1 iso 0 dist 7.54889 5.2571 6.70343 13.659 9.64383 14.0897 9.67482 8.46823 4.62494 16.4267 numMergedOcc 0
7 mol 98 unq 2 iso 0 dist 7.54889 5.2571 6.70343 5.02887 7.78931 8.7497 9.85543 9.25444 9.84703 7.28361 numMergedOcc 0
8 mol 98 unq 3 iso 0 dist 7.54889 5.2571 6.70343 5.02887 7.78931 8.7497 9.67482 8.46823 4.62494 12.0974 numMergedOcc 0
9 mol 98 unq 4 iso 0 dist 5.2571 7.54889 6.70343 8.40073 5.10496 9.81956 9.67482 4.62494 8.46823 4.4057 numMergedOcc 0
10 mol 98 unq 5 iso 0 dist 5.2571 7.54889 6.70343 8.40073 5.10496 9.81956 9.85543 9.84703 9.25444 7.94178 numMergedOcc 0
11 mol 98 unq 6 iso 0 dist 5.2571 7.54889 6.70343 9.42358 5.92242 10.8223 9.67482 4.62494 8.46823 7.42446 numMergedOcc 0
12 mol 98 unq 7 iso 0 dist 5.2571 7.54889 6.70343 9.42358 5.92242 10.8223 9.85543 9.84703 9.25444 15.7178 numMergedOcc 0
13 mol 98 unq 8 iso 0 dist 5.2571 7.54889 6.70343 5.02887 8.7497 7.78931 9.67482 4.62494 8.46823 12.0974 numMergedOcc 0
14 mol 98 unq 9 iso 0 dist 5.2571 7.54889 6.70343 5.02887 8.7497 7.78931 9.85543 9.84703 9.25444 7.28361 numMergedOcc 0
15 mol 98 unq 10 iso 0 dist 7.78931 8.7497 6.70343 14.591 9.64383 14.0897 7.28361 9.25444 9.84703 18.5442 numMergedOcc 0
16 mol 98 unq 11 iso 0 dist 7.78931 8.7497 6.70343 14.591 9.64383 14.0897 12.0974 8.46823 4.62494 16.4267 numMergedOcc 0
17 mol 98 unq 12 iso 0 dist 7.78931 8.7497 6.70343 5.02887 7.54889 5.2571 7.28361 9.25444 9.84703 9.85543 numMergedOcc 0
18 mol 98 unq 13 iso 0 dist 7.78931 8.7497 6.70343 5.02887 7.54889 5.2571 12.0974 8.46823 4.62494 9.67482 numMergedOcc 0
19 mol 98 unq 14 iso 0 dist 8.7497 7.78931 6.70343 10.2427 5.10496 9.81956 12.0974 4.62494 8.46823 4.4057 numMergedOcc 0
20 mol 98 unq 15 iso 0 dist 8.7497 7.78931 6.70343 10.2427 5.10496 9.81956 7.28361 9.84703 9.25444 7.94178 numMergedOcc 0
21 mol 98 unq 16 iso 0 dist 8.7497 7.78931 6.70343 13.9786 5.92242 10.8223 12.0974 4.62494 8.46823 7.42446 numMergedOcc 0
22 mol 98 unq 17 iso 0 dist 8.7497 7.78931 6.70343 13.9786 5.92242 10.8223 7.28361 9.84703 9.25444 15.7178 numMergedOcc 0
23 mol 98 unq 18 iso 0 dist 8.7497 7.78931 6.70343 5.02887 5.2571 7.54889 12.0974 4.62494 8.46823 9.67482 numMergedOcc 0
24 mol 98 unq 19 iso 0 dist 8.7497 7.78931 6.70343 5.02887 5.2571 7.54889 7.28361 9.84703 9.25444 9.85543 numMergedOcc 0
25 mol 100 unq 0 iso 0 dist 9.21662 9.90751 6.25463 10.8375 8.91882 13.2137 6.12107 6.55173 7.81446 6.71012 numMergedOcc 0
26 mol 134 unq 0 iso 0 dist 6.42772 9.10524 7.62195 11.6064 9.1998 12.1179 6.98221 11.0688 7.83568 15.5824 numMergedOcc 0
27 mol 134 unq 1 iso 0 dist 6.42772 9.10524 7.62195 13.7309 8.70621 9.69086 6.98221 11.0688 7.83568 16.2713 numMergedOcc 0
28 mol 134 unq 2 iso 0 dist 7.99477 9.00918 4.87973 6.90348 5.35237 9.69086 14.2198 12.0743 7.83568 16.2713 numMergedOcc 0
29 mol 167 unq 0 iso 0 dist 7.68266 6.84752 3.55199 6.44246 7.6616 7.86563 4.64019 10.4753 8.86449 5.90938 numMergedOcc 0
30 mol 167 unq 1 iso 0 dist 7.68266 6.84752 3.55199 4.70068 9.2289 7.02548 4.64019 10.4753 8.86449 7.08726 numMergedOcc 0
31 mol 167 unq 2 iso 0 dist 7.6616 7.86563 3.55199 6.44246 7.68266 6.84752 5.90938 10.4753 8.86449 4.64019 numMergedOcc 0
32 mol 167 unq 3 iso 0 dist 7.6616 7.86563 3.55199 10.3445 9.2289 7.02548 5.90938 10.4753 8.86449 7.08726 numMergedOcc 0
33 mol 167 unq 4 iso 0 dist 9.2289 7.02548 3.55199 4.70068 7.68266 6.84752 7.08726 10.4753 8.86449 4.64019 numMergedOcc 0
34 mol 167 unq 5 iso 0 dist 9.2289 7.02548 3.55199 10.3445 7.6616 7.86563 7.08726 10.4753 8.86449 5.90938 numMergedOcc 0
35 mol 181 unq 0 iso 0 dist 9.01624 6.64173 11.196 11.5866 5.05973 15.3823 5.63555 10.5303 8.12266 13.8719 numMergedOcc 0
36 mol 181 unq 1 iso 0 dist 9.01624 9.55105 3.55187 11.5866 5.05973 8.40951 5.63555 10.5303 9.43306 13.8719 numMergedOcc 0
37 mol 181 unq 2 iso 0 dist 9.01624 9.55105 3.55187 11.5866 5.05973 8.40951 7.20191 5.99437 8.4848 5.48529 numMergedOcc 0
38 mol 235 unq 0 iso 0 dist 6.29377 8.19317 4.8835 7.218 5.70635 5.1823 6.82855 10.1845 8.97952 6.46722 numMergedOcc 0
39 mol 235 unq 1 iso 0 dist 5.70635 5.1823 4.8835 7.218 6.29377 8.19317 6.46722 10.1845 8.97952 6.82855 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 5.13913 5.46926 3.39114 7.08227 6.92711 8.9682 4.37645 9.11117 9.26157 7.70529 numMergedOcc 0
41 mol 277 unq 1 iso 0 dist 6.92711 8.9682 3.39114 7.08227 5.13913 5.46926 7.70529 9.11117 9.26157 4.37645 numMergedOcc 0
42 mol 292 unq 0 iso 0 dist 8.38121 7.20674 9.14614 11.8061 9.90967 10.1532 8.83082 10.8369 8.62162 4.95054 numMergedOcc 0
