0 mol 12 unq 0 iso 0 dist 8.96497 7.3538 6.93892 9.44587 6.63155 8.85246 numMergedOcc 0
1 mol 13 unq 0 iso 0 dist 9.76156 6.02651 4.56079 9.65051 10.6584 10.4833 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.14455 8.67141 7.05288 6.67079 8.69625 4.57655 numMergedOcc 0
3 mol 32 unq 1 iso 0 dist 5.07365 9.46895 7.66677 6.19304 5.31805 12.7517 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 6.44329 4.50643 5.3504 8.71284 7.80178 11.137 numMergedOcc 0
5 mol 34 unq 1 iso 0 dist 8.94846 4.50643 11.7002 8.71284 13.7276 11.137 numMergedOcc 0
6 mol 54 unq 0 iso 0 dist 4.54428 6.29755 6.36332 9.57335 10.068 9.58891 numMergedOcc 0
7 mol 54 unq 1 iso 0 dist 4.54428 6.29755 6.36332 8.60653 10.6382 11.1253 numMergedOcc 0
8 mol 54 unq 2 iso 0 dist 4.54428 7.4038 4.66088 9.57335 10.068 7.573 numMergedOcc 0
9 mol 54 unq 3 iso 0 dist 4.54428 7.4038 4.66088 8.60653 10.6382 10.063 numMergedOcc 0
10 mol 61 unq 0 iso 0 dist 9.65026 7.77128 13.7899 5.67362 13.5973 5.04866 numMergedOcc 0
11 mol 68 unq 0 iso 0 dist 9.90823 5.48997 11.1617 8.87151 4.92112 9.58376 numMergedOcc 0
12 mol 68 unq 1 iso 0 dist 6.20207 5.48997 4.6505 8.87151 11.8868 9.58376 numMergedOcc 0
13 mol 76 unq 0 iso 0 dist 8.24753 9.225 6.81448 4.73362 4.80291 4.98309 numMergedOcc 0
14 mol 76 unq 1 iso 0 dist 8.24753 9.225 6.81448 9.61367 7.88113 10.7367 numMergedOcc 0
15 mol 98 unq 0 iso 0 dist 7.80347 4.3521 10.386 9.40173 14.6729 12.2431 numMergedOcc 0
16 mol 134 unq 0 iso 0 dist 5.97546 6.48475 5.85819 5.24709 6.3353 4.2484 numMergedOcc 0
17 mol 241 unq 0 iso 0 dist 9.86427 8.00841 5.4733 9.14228 5.71704 9.30696 numMergedOcc 0
18 mol 241 unq 1 iso 0 dist 9.88346 7.91178 9.71079 9.04127 14.2001 9.39021 numMergedOcc 0
