0 mol 28 unq 0 iso 0 dist 8.51428 10.6532 7.66985 9.28621 8.67111 9.17482 numMergedOcc 0
1 mol 28 unq 1 iso 0 dist 9.28621 10.6532 9.17482 8.51428 8.67111 7.66985 numMergedOcc 0
2 mol 28 unq 2 iso 0 dist 8.94643 12.471 9.17482 15.9319 8.67111 7.66985 numMergedOcc 0
3 mol 28 unq 3 iso 0 dist 8.36195 16.1107 9.17482 13.7143 8.67111 7.66985 numMergedOcc 0
4 mol 28 unq 4 iso 0 dist 8.09862 11.2554 5.47728 8.89114 3.0988 5.39651 numMergedOcc 0
5 mol 28 unq 5 iso 0 dist 8.97167 5.6954 5.47728 8.8182 3.0988 5.39651 numMergedOcc 0
6 mol 28 unq 6 iso 0 dist 8.89114 11.2554 5.39651 8.09862 3.0988 5.47728 numMergedOcc 0
7 mol 28 unq 7 iso 0 dist 8.8182 5.6954 5.39651 8.97167 3.0988 5.47728 numMergedOcc 0
8 mol 30 unq 0 iso 0 dist 5.82731 4.35049 5.85146 11.3572 9.19346 7.78893 numMergedOcc 0
9 mol 34 unq 0 iso 0 dist 8.73053 11.2712 9.31883 12.0979 3.56021 9.475 numMergedOcc 0
10 mol 34 unq 1 iso 0 dist 8.73053 11.2712 9.31883 10.5842 5.8452 8.34011 numMergedOcc 0
11 mol 34 unq 2 iso 0 dist 8.73053 11.2712 9.31883 14.5807 14.6218 6.29842 numMergedOcc 0
12 mol 34 unq 3 iso 0 dist 7.07087 9.1555 9.31883 10.117 3.56021 9.475 numMergedOcc 0
13 mol 34 unq 4 iso 0 dist 7.07087 9.1555 9.31883 10.3781 5.8452 8.34011 numMergedOcc 0
14 mol 34 unq 5 iso 0 dist 7.07087 9.1555 9.31883 13.881 14.6218 6.29842 numMergedOcc 0
15 mol 48 unq 0 iso 0 dist 9.55284 10.8275 6.84514 15.2992 8.33924 5.54554 numMergedOcc 0
16 mol 48 unq 1 iso 0 dist 9.55284 10.8275 6.84514 18.1488 10.0905 8.95402 numMergedOcc 0
17 mol 48 unq 2 iso 0 dist 7.36877 11.4765 6.84514 15.1057 8.33924 5.54554 numMergedOcc 0
18 mol 48 unq 3 iso 0 dist 7.36877 11.4765 6.84514 16.4502 10.0905 8.95402 numMergedOcc 0
19 mol 48 unq 4 iso 0 dist 6.89752 11.309 7.05619 14.7535 8.45701 5.5232 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 7.9575 9.94048 8.59337 9.53456 8.86418 7.66942 numMergedOcc 0
21 mol 73 unq 1 iso 0 dist 5.88827 6.88106 8.59337 9.66175 8.86418 7.66942 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 9.66175 6.88106 7.66942 5.88827 8.86418 8.59337 numMergedOcc 0
23 mol 93 unq 0 iso 0 dist 7.14241 12.8483 6.25522 10.5252 5.02964 7.87145 numMergedOcc 0
24 mol 93 unq 1 iso 0 dist 7.14241 12.8483 6.25522 14.9768 8.84051 9.30914 numMergedOcc 0
25 mol 143 unq 0 iso 0 dist 6.38786 7.78035 5.66207 14.8995 10.0717 8.56866 numMergedOcc 0
26 mol 147 unq 0 iso 0 dist 7.4121 9.74349 7.19893 11.6856 5.61172 6.37938 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 8.52131 13.3124 9.70575 12.1038 6.01609 5.42715 numMergedOcc 0
28 mol 182 unq 0 iso 0 dist 8.7486 5.69505 9.19506 13.2193 9.21043 9.94904 numMergedOcc 0
29 mol 182 unq 1 iso 0 dist 8.7486 5.69505 9.19506 14.5448 13.7057 9.30893 numMergedOcc 0
30 mol 182 unq 2 iso 0 dist 9.06707 8.61027 9.19506 11.8604 9.21043 9.94904 numMergedOcc 0
31 mol 182 unq 3 iso 0 dist 9.06707 8.61027 9.19506 14.8077 13.7057 9.30893 numMergedOcc 0
32 mol 230 unq 0 iso 0 dist 5.48736 4.32828 5.63025 11.493 9.60716 7.83105 numMergedOcc 0
