0 mol 20 unq 0 iso 0 dist 9.35248 8.13992 9.55415 4.90916 7.61139 9.45728 numMergedOcc 0
1 mol 20 unq 0 iso 1 dist 9.55415 8.13992 9.35248 9.45728 7.61139 4.90916 numMergedOcc 0
2 mol 20 unq 1 iso 0 dist 9.35248 8.13992 9.55415 6.3965 6.54552 4.76485 numMergedOcc 0
3 mol 20 unq 1 iso 1 dist 9.55415 8.13992 9.35248 4.76485 6.54552 6.3965 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 8.31624 3.85496 5.68726 12.6651 8.16712 10.0936 numMergedOcc 0
5 mol 73 unq 0 iso 1 dist 5.68726 3.85496 8.31624 10.0936 8.16712 12.6651 numMergedOcc 0
6 mol 73 unq 1 iso 0 dist 8.31624 10.1335 7.46882 12.6651 8.16712 3.45332 numMergedOcc 0
7 mol 73 unq 1 iso 1 dist 7.46882 10.1335 8.31624 3.45332 8.16712 12.6651 numMergedOcc 0
8 mol 73 unq 1 iso 0 dist 5.68726 7.44316 7.46882 10.0936 8.16712 3.45332 numMergedOcc 0
9 mol 73 unq 1 iso 1 dist 7.46882 7.44316 5.68726 3.45332 8.16712 10.0936 numMergedOcc 0
10 mol 92 unq 0 iso 0 dist 6.78043 4.13723 5.74364 7.18067 8.67475 5.74315 numMergedOcc 0
11 mol 92 unq 0 iso 1 dist 5.74364 4.13723 6.78043 5.74315 8.67475 7.18067 numMergedOcc 0
12 mol 110 unq 0 iso 0 dist 6.70591 4.7071 5.43052 10.3414 9.24252 10.3403 numMergedOcc 0
13 mol 110 unq 0 iso 1 dist 5.43052 4.7071 6.70591 10.3403 9.24252 10.3414 numMergedOcc 0
14 mol 139 unq 0 iso 0 dist 9.99665 7.6075 8.27507 11.247 9.07404 4.37138 numMergedOcc 0
15 mol 139 unq 0 iso 1 dist 8.27507 7.6075 9.99665 4.37138 9.07404 11.247 numMergedOcc 0
16 mol 183 unq 0 iso 0 dist 9.92635 3.75614 7.85507 10.4828 8.41645 6.77174 numMergedOcc 0
17 mol 183 unq 0 iso 1 dist 7.85507 3.75614 9.92635 6.77174 8.41645 10.4828 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 9.89207 3.98055 9.0153 7.95009 5.08438 6.61517 numMergedOcc 0
19 mol 195 unq 0 iso 1 dist 9.0153 3.98055 9.89207 6.61517 5.08438 7.95009 numMergedOcc 0
20 mol 197 unq 0 iso 0 dist 5.79753 10.6986 7.56537 8.31631 8.18029 5.38951 numMergedOcc 0
21 mol 197 unq 0 iso 1 dist 7.56537 10.6986 5.79753 5.38951 8.18029 8.31631 numMergedOcc 0
22 mol 230 unq 0 iso 0 dist 6.61442 4.44367 7.10283 3.70816 7.8356 5.25967 numMergedOcc 0
23 mol 230 unq 0 iso 1 dist 7.10283 4.44367 6.61442 5.25967 7.8356 3.70816 numMergedOcc 0
24 mol 243 unq 0 iso 0 dist 8.89116 6.73236 8.28364 7.64134 7.89993 10.4256 numMergedOcc 0
25 mol 243 unq 0 iso 1 dist 8.28364 6.73236 8.89116 10.4256 7.89993 7.64134 numMergedOcc 0
26 mol 269 unq 0 iso 0 dist 7.97206 9.73015 7.1068 12.7945 7.92043 3.70752 numMergedOcc 0
27 mol 269 unq 0 iso 1 dist 7.1068 9.73015 7.97206 3.70752 7.92043 12.7945 numMergedOcc 0
28 mol 279 unq 0 iso 0 dist 4.75866 9.52032 7.87072 6.77003 5.60922 3.7056 numMergedOcc 0
29 mol 279 unq 0 iso 1 dist 7.87072 9.52032 4.75866 3.7056 5.60922 6.77003 numMergedOcc 0
30 mol 283 unq 0 iso 0 dist 8.80555 10.8201 8.80418 12.9436 9.60873 3.77125 numMergedOcc 0
31 mol 283 unq 0 iso 1 dist 8.80418 10.8201 8.80555 3.77125 9.60873 12.9436 numMergedOcc 0
