0 mol 83 unq 0 iso 0 dist 8.79457 15.8461 7.40801 18.5851 10.088 7.02558 numMergedOcc 0
1 mol 83 unq 1 iso 0 dist 8.79457 15.8461 7.40801 11.4966 6.31825 8.81183 numMergedOcc 0
2 mol 83 unq 2 iso 0 dist 9.25264 7.57208 7.40801 13.7374 10.088 7.02558 numMergedOcc 0
3 mol 83 unq 3 iso 0 dist 9.25264 7.57208 7.40801 6.55004 6.31825 8.81183 numMergedOcc 0
4 mol 108 unq 0 iso 0 dist 9.10985 5.53105 9.01604 6.79804 13.2894 7.84262 numMergedOcc 0
5 mol 108 unq 1 iso 0 dist 9.10985 5.53105 9.01604 11.4269 17.0427 9.29208 numMergedOcc 0
6 mol 108 unq 2 iso 0 dist 6.23711 5.53105 5.37466 6.79804 9.59715 7.84262 numMergedOcc 0
7 mol 108 unq 3 iso 0 dist 6.23711 5.53105 5.37466 11.4269 13.0532 9.29208 numMergedOcc 0
8 mol 130 unq 0 iso 0 dist 8.51423 9.75051 9.15278 12.5742 7.06361 6.00391 numMergedOcc 0
9 mol 130 unq 1 iso 0 dist 8.51423 9.75051 9.15278 11.0076 13.2181 9.70695 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 6.18881 5.05068 6.48738 6.32669 3.79724 7.83578 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 9.35927 6.83365 6.48738 12.3961 3.79724 7.83578 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 9.64841 7.57034 8.78761 14.7026 8.01647 8.9755 numMergedOcc 0
13 mol 150 unq 0 iso 0 dist 9.5865 7.4624 8.75537 14.7018 8.04275 9.06573 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 9.05875 11.0048 5.10016 11.2118 4.39758 9.03521 numMergedOcc 0
15 mol 220 unq 0 iso 0 dist 6.94771 14.8054 8.81279 11.5551 5.39151 8.44603 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 8.71535 3.75614 6.5546 4.90407 8.27718 6.41452 numMergedOcc 0
17 mol 259 unq 0 iso 0 dist 4.98888 7.04297 7.75803 5.45793 3.85191 7.87978 numMergedOcc 0
18 mol 259 unq 1 iso 0 dist 4.98888 5.45575 8.14526 5.45793 3.85191 9.29355 numMergedOcc 0
19 mol 259 unq 2 iso 0 dist 4.98888 6.13878 7.94491 5.45793 3.85191 6.13752 numMergedOcc 0
