0 mol 12 unq 0 iso 0 dist 9.20201 5.33905 4.76018 8.09014 7.13046 4.25774 numMergedOcc 0
1 mol 12 unq 0 iso 1 dist 9.20201 8.09014 7.13046 5.33905 4.76018 4.25774 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 6.59367 12.5752 6.73801 8.68242 6.42834 10.1421 numMergedOcc 0
3 mol 41 unq 0 iso 1 dist 6.59367 8.68242 6.42834 12.5752 6.73801 10.1421 numMergedOcc 0
4 mol 59 unq 0 iso 0 dist 8.10708 9.98108 9.43355 12.8035 7.9327 15.8093 numMergedOcc 0
5 mol 59 unq 0 iso 1 dist 8.10708 12.8035 7.9327 9.98108 9.43355 15.8093 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 8.42956 15.504 9.43355 4.9619 7.9327 15.8093 numMergedOcc 0
7 mol 59 unq 1 iso 1 dist 8.42956 4.9619 7.9327 15.504 9.43355 15.8093 numMergedOcc 0
8 mol 59 unq 2 iso 0 dist 9.20253 15.8562 9.43355 10.3701 7.9327 15.8093 numMergedOcc 0
9 mol 59 unq 2 iso 1 dist 9.20253 10.3701 7.9327 15.8562 9.43355 15.8093 numMergedOcc 0
10 mol 87 unq 0 iso 0 dist 7.2668 5.71028 9.28624 6.57984 8.31175 6.04216 numMergedOcc 0
11 mol 87 unq 0 iso 1 dist 7.2668 6.57984 8.31175 5.71028 9.28624 6.04216 numMergedOcc 0
12 mol 128 unq 0 iso 0 dist 9.11128 5.21856 7.75012 13.0031 6.98158 10.8727 numMergedOcc 0
13 mol 128 unq 0 iso 1 dist 9.11128 13.0031 6.98158 5.21856 7.75012 10.8727 numMergedOcc 0
14 mol 130 unq 0 iso 0 dist 6.26422 5.11595 9.62236 9.37324 6.90634 12.1655 numMergedOcc 0
15 mol 130 unq 0 iso 1 dist 6.26422 9.37324 6.90634 5.11595 9.62236 12.1655 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 6.61636 10.745 6.51868 11.3682 7.34698 7.33253 numMergedOcc 0
17 mol 133 unq 0 iso 1 dist 6.61636 11.3682 7.34698 10.745 6.51868 7.33253 numMergedOcc 0
18 mol 159 unq 0 iso 0 dist 9.2256 6.11852 6.72852 5.48097 8.52082 7.73341 numMergedOcc 0
19 mol 159 unq 0 iso 1 dist 9.2256 5.48097 8.52082 6.11852 6.72852 7.73341 numMergedOcc 0
20 mol 173 unq 0 iso 0 dist 7.33162 4.67407 8.41245 6.34062 6.64779 7.69792 numMergedOcc 0
21 mol 173 unq 0 iso 1 dist 7.33162 6.34062 6.64779 4.67407 8.41245 7.69792 numMergedOcc 0
22 mol 175 unq 0 iso 0 dist 7.77669 10.3139 6.26365 7.04147 7.04177 4.39517 numMergedOcc 0
23 mol 175 unq 0 iso 1 dist 7.77669 7.04147 7.04177 10.3139 6.26365 4.39517 numMergedOcc 0
24 mol 239 unq 0 iso 0 dist 4.57548 5.86546 7.02079 8.35939 5.88802 11.3911 numMergedOcc 0
25 mol 239 unq 0 iso 1 dist 4.57548 8.35939 5.88802 5.86546 7.02079 11.3911 numMergedOcc 0
