0 mol 28 unq 0 iso 0 dist 6.69917 13.6284 9.00593 7.17655 5.32719 10.1165 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 6.69917 13.6284 9.00593 10.6536 7.03702 5.00029 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 5.06773 5.57404 7.03812 6.54204 9.16411 4.0144 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 8.2444 7.08048 7.03812 4.66466 9.16411 4.0144 numMergedOcc 0
4 mol 68 unq 0 iso 0 dist 7.65992 4.11905 5.74389 6.84424 8.23849 4.6006 numMergedOcc 0
5 mol 68 unq 1 iso 0 dist 7.65992 4.11905 5.74389 13.5524 6.4776 11.4038 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 9.40222 12.8258 8.67545 10.5247 9.73011 3.91691 numMergedOcc 0
7 mol 71 unq 1 iso 0 dist 8.87417 13.2306 8.67545 12.2856 9.73011 3.91691 numMergedOcc 0
8 mol 73 unq 0 iso 0 dist 9.26179 9.60689 6.53468 14.2755 8.39494 12.6627 numMergedOcc 0
9 mol 73 unq 1 iso 0 dist 9.26179 12.6588 5.90954 14.2755 8.39494 5.98483 numMergedOcc 0
10 mol 151 unq 0 iso 0 dist 8.40211 10.2163 5.87912 8.34293 7.28671 3.92946 numMergedOcc 0
11 mol 151 unq 1 iso 0 dist 8.40211 7.9137 7.06678 8.34293 7.28671 5.14768 numMergedOcc 0
12 mol 151 unq 2 iso 0 dist 8.24746 10.3952 5.87912 7.90899 7.28671 3.92946 numMergedOcc 0
13 mol 151 unq 3 iso 0 dist 8.24746 4.83603 7.06678 7.90899 7.28671 5.14768 numMergedOcc 0
14 mol 158 unq 0 iso 0 dist 8.15524 10.973 6.92225 12.9719 6.64084 4.86148 numMergedOcc 0
15 mol 176 unq 0 iso 0 dist 7.2799 7.04396 8.25343 6.05742 9.78837 4.94494 numMergedOcc 0
16 mol 176 unq 1 iso 0 dist 7.2799 10.6032 8.86094 6.05742 9.78837 8.07221 numMergedOcc 0
17 mol 186 unq 0 iso 0 dist 7.04167 11.6918 9.47421 7.23694 9.86161 9.64246 numMergedOcc 0
18 mol 186 unq 1 iso 0 dist 7.04167 11.6918 9.47421 5.12892 6.13396 14.2948 numMergedOcc 0
19 mol 186 unq 2 iso 0 dist 9.87623 13.1389 9.47421 15.5633 9.86161 9.64246 numMergedOcc 0
20 mol 186 unq 3 iso 0 dist 9.87623 13.1389 9.47421 11.666 6.13396 14.2948 numMergedOcc 0
21 mol 272 unq 0 iso 0 dist 7.36125 11.2522 8.62966 10.894 8.34116 4.35986 numMergedOcc 0
