0 mol 53 unq 0 iso 0 dist 9.06787 8.04063 5.63499 11.3733 5.07389 7.94701 numMergedOcc 0
1 mol 112 unq 0 iso 0 dist 8.59002 4.81432 6.6536 9.66222 3.82552 5.81553 numMergedOcc 0
2 mol 159 unq 0 iso 0 dist 9.50607 4.67118 9.45909 10.9582 7.44399 7.52779 numMergedOcc 0
3 mol 168 unq 0 iso 0 dist 8.65328 7.36888 8.18217 10.4499 9.43003 5.60956 numMergedOcc 0
4 mol 169 unq 0 iso 0 dist 5.87263 12.2667 7.06772 9.10097 6.22697 6.09291 numMergedOcc 0
5 mol 169 unq 1 iso 0 dist 5.87263 12.2667 7.06772 10.691 6.51773 9.76796 numMergedOcc 0
6 mol 169 unq 2 iso 0 dist 5.87263 12.2667 7.06772 11.2472 7.82714 9.90583 numMergedOcc 0
7 mol 192 unq 0 iso 0 dist 7.1329 6.22575 7.75405 7.83389 3.81315 5.21088 numMergedOcc 0
8 mol 192 unq 1 iso 0 dist 7.1329 6.95862 7.49971 7.83389 3.81315 8.25609 numMergedOcc 0
9 mol 205 unq 0 iso 0 dist 6.3407 11.9426 7.53734 12.2388 6.10058 8.47833 numMergedOcc 0
10 mol 205 unq 1 iso 0 dist 6.3407 11.9426 7.53734 9.67866 3.50446 5.47586 numMergedOcc 0
11 mol 205 unq 2 iso 0 dist 6.3407 16.0229 9.79826 17.9069 11.8763 5.81277 numMergedOcc 0
12 mol 205 unq 3 iso 0 dist 6.3407 16.0229 9.79826 12.2388 6.10058 5.05912 numMergedOcc 0
13 mol 205 unq 4 iso 0 dist 6.3407 16.0229 9.79826 9.67866 3.50446 6.60429 numMergedOcc 0
14 mol 222 unq 0 iso 0 dist 7.79613 13.7865 7.99441 11.8673 4.91709 4.87053 numMergedOcc 0
15 mol 225 unq 0 iso 0 dist 4.58113 5.97855 8.69052 10.2433 9.92088 6.97662 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.37164 5.87826 8.43856 11.4901 11.9352 6.96248 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.37164 5.87826 8.43856 11.4901 11.9352 6.96248 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.37164 5.87826 8.43856 11.4901 11.9352 6.96248 numMergedOcc 0
