0 mol 12 unq 0 iso 0 dist 7.44542 10.9602 8.18296 10.4006 7.99569 5.25297 numMergedOcc 0
1 mol 12 unq 0 iso 1 dist 7.44542 10.4006 7.99569 10.9602 8.18296 5.25297 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 7.10635 12.0084 9.18836 4.08339 6.07294 10.1421 numMergedOcc 0
3 mol 41 unq 0 iso 1 dist 7.10635 4.08339 6.07294 12.0084 9.18836 10.1421 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 8.34804 12.2427 9.42982 7.29309 8.17929 12.7806 numMergedOcc 0
5 mol 67 unq 0 iso 1 dist 8.34804 7.29309 8.17929 12.2427 9.42982 12.7806 numMergedOcc 0
6 mol 67 unq 1 iso 0 dist 8.34804 12.2427 9.42982 4.31746 5.63802 11.721 numMergedOcc 0
7 mol 67 unq 1 iso 1 dist 8.34804 4.31746 5.63802 12.2427 9.42982 11.721 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 8.34804 7.29309 8.17929 4.31746 5.63802 4.05717 numMergedOcc 0
9 mol 67 unq 1 iso 1 dist 8.34804 4.31746 5.63802 7.29309 8.17929 4.05717 numMergedOcc 0
10 mol 73 unq 0 iso 0 dist 8.09675 8.49877 8.3768 7.25285 8.13535 4.5576 numMergedOcc 0
11 mol 73 unq 0 iso 1 dist 8.09675 7.25285 8.13535 8.49877 8.3768 4.5576 numMergedOcc 0
12 mol 73 unq 1 iso 0 dist 9.02753 4.6403 8.3768 5.90782 8.13535 4.5576 numMergedOcc 0
13 mol 73 unq 1 iso 1 dist 9.02753 5.90782 8.13535 4.6403 8.3768 4.5576 numMergedOcc 0
14 mol 79 unq 0 iso 0 dist 8.01516 4.05986 7.99438 4.91535 6.64915 4.44577 numMergedOcc 0
15 mol 79 unq 0 iso 1 dist 8.01516 4.91535 6.64915 4.05986 7.99438 4.44577 numMergedOcc 0
16 mol 171 unq 0 iso 0 dist 6.20851 4.47323 6.4751 4.73373 5.75085 3.98338 numMergedOcc 0
17 mol 171 unq 0 iso 1 dist 6.20851 4.73373 5.75085 4.47323 6.4751 3.98338 numMergedOcc 0
18 mol 186 unq 0 iso 0 dist 8.32641 4.29967 9.2802 6.48822 7.2843 8.1916 numMergedOcc 0
19 mol 186 unq 0 iso 1 dist 8.32641 6.48822 7.2843 4.29967 9.2802 8.1916 numMergedOcc 0
20 mol 188 unq 0 iso 0 dist 8.94864 4.2821 6.47305 5.23385 6.20426 6.28555 numMergedOcc 0
21 mol 188 unq 0 iso 1 dist 8.94864 5.23385 6.20426 4.2821 6.47305 6.28555 numMergedOcc 0
22 mol 236 unq 0 iso 0 dist 5.6568 5.99041 8.88405 5.55311 7.13854 6.06161 numMergedOcc 0
23 mol 236 unq 0 iso 1 dist 5.6568 5.55311 7.13854 5.99041 8.88405 6.06161 numMergedOcc 0
24 mol 273 unq 0 iso 0 dist 9.80002 15.8648 9.57659 11.6682 7.8424 5.57478 numMergedOcc 0
25 mol 273 unq 0 iso 1 dist 9.80002 11.6682 7.8424 15.8648 9.57659 5.57478 numMergedOcc 0
26 mol 273 unq 1 iso 0 dist 6.73794 14.6347 9.57659 10.6008 7.8424 5.57478 numMergedOcc 0
27 mol 273 unq 1 iso 1 dist 6.73794 10.6008 7.8424 14.6347 9.57659 5.57478 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 8.299 6.68035 5.94449 4.47851 8.61452 9.31504 numMergedOcc 0
29 mol 279 unq 0 iso 1 dist 8.299 4.47851 8.61452 6.68035 5.94449 9.31504 numMergedOcc 0
30 mol 279 unq 1 iso 0 dist 8.299 6.68035 5.94449 13.5015 7.66302 13.3172 numMergedOcc 0
31 mol 279 unq 1 iso 1 dist 8.299 13.5015 7.66302 6.68035 5.94449 13.3172 numMergedOcc 0
32 mol 279 unq 1 iso 0 dist 8.299 4.47851 8.61452 13.5015 7.66302 11.1423 numMergedOcc 0
33 mol 279 unq 1 iso 1 dist 8.299 13.5015 7.66302 4.47851 8.61452 11.1423 numMergedOcc 0
