0 mol 4 unq 0 iso 0 dist 6.22303 9.31285 6.39302 5.13908 8.7041 10.7016 7.53929 6.82441 11.5093 6.34563 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 6.22303 8.66947 6.8787 5.13908 8.7041 13.0418 7.53929 6.82441 10.8758 6.34563 numMergedOcc 0
2 mol 7 unq 0 iso 0 dist 9.8592 8.48743 10.2888 7.91041 9.67498 13.4907 9.95133 10.0257 8.97914 8.57437 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 7.96502 5.50504 6.32949 5.25196 8.30431 9.62468 6.01552 8.24748 4.90701 9.67403 numMergedOcc 0
4 mol 61 unq 1 iso 0 dist 7.96502 5.50504 6.32949 5.25196 8.30431 9.62468 12.1428 14.4616 16.7918 7.28917 numMergedOcc 0
5 mol 61 unq 2 iso 0 dist 7.96502 5.50504 6.32949 6.97911 4.628 5.92705 12.9321 9.53688 7.49081 9.82315 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 8.98532 8.3558 5.1767 5.38868 8.67865 4.98104 8.03407 8.6267 7.17015 6.78043 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 8.98532 8.3558 5.1767 5.38868 8.67865 4.98104 6.39759 4.68995 4.52119 5.74364 numMergedOcc 0
8 mol 92 unq 2 iso 0 dist 8.98532 8.3558 5.1767 5.80362 8.40148 10.7379 6.39759 4.68995 4.52119 8.60026 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 6.4413 7.95671 5.34721 13.2694 9.71692 14.0476 19.514 14.778 19.4265 9.22427 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 6.62609 8.12659 5.38822 13.3379 9.73708 14.1199 19.8023 14.922 19.5967 9.32504 numMergedOcc 0
11 mol 181 unq 0 iso 0 dist 9.614 8.27794 11.0057 9.24302 8.78709 15.0674 8.96735 5.53632 11.8932 4.96259 numMergedOcc 0
12 mol 227 unq 0 iso 0 dist 8.25412 9.66521 5.14019 5.34424 5.2851 9.18675 10.9438 7.27568 10.9746 6.14732 numMergedOcc 0
13 mol 241 unq 0 iso 0 dist 7.16232 6.90245 7.93809 10.121 9.174 9.72526 12.4569 6.70277 9.87799 8.15897 numMergedOcc 0
14 mol 278 unq 0 iso 0 dist 6.03414 9.91518 8.66976 5.49004 8.87405 9.82774 8.79625 8.84423 13.5373 6.83278 numMergedOcc 0
15 mol 280 unq 0 iso 0 dist 8.64546 6.94723 6.0971 16.0615 9.05509 15.1175 21.4417 13.0497 18.0137 8.01368 numMergedOcc 0
16 mol 280 unq 1 iso 0 dist 3.97964 6.52188 6.0971 10.5502 9.05509 15.1175 15.467 13.0497 18.0137 8.01368 numMergedOcc 0
