0 mol 1 unq 0 iso 0 dist 9.55106 5.42625 9.12196 9.72202 7.4817 9.00903 numMergedOcc 0
1 mol 45 unq 0 iso 0 dist 8.85391 6.16767 6.06454 11.6196 5.73693 6.43774 numMergedOcc 0
2 mol 45 unq 1 iso 0 dist 8.85391 11.005 9.44459 11.6196 5.73693 7.2846 numMergedOcc 0
3 mol 45 unq 2 iso 0 dist 8.85391 11.005 9.44459 17.21 11.6164 7.58835 numMergedOcc 0
4 mol 85 unq 0 iso 0 dist 9.27584 6.53819 8.00777 9.67557 5.08358 7.95579 numMergedOcc 0
5 mol 85 unq 1 iso 0 dist 9.27584 9.9705 7.1589 14.3639 6.37974 7.97049 numMergedOcc 0
6 mol 85 unq 2 iso 0 dist 9.27584 9.9705 7.1589 9.67557 5.08358 6.19965 numMergedOcc 0
7 mol 114 unq 0 iso 0 dist 5.5606 4.77991 6.34525 12.0042 11.128 7.5732 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 9.3516 10.5062 8.35555 12.8604 5.59336 5.87555 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 9.3516 10.5062 8.35555 18.0238 10.9728 8.87437 numMergedOcc 0
10 mol 175 unq 0 iso 0 dist 9.02096 13.6066 8.0154 11.6161 4.24624 9.29945 numMergedOcc 0
11 mol 175 unq 1 iso 0 dist 7.05288 7.12332 9.17364 11.8721 10.0424 9.29945 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 5.96047 14.3395 8.46327 14.4648 10.2399 8.82096 numMergedOcc 0
13 mol 222 unq 0 iso 0 dist 5.98014 4.81992 7.862 7.73634 6.42798 6.00706 numMergedOcc 0
14 mol 230 unq 0 iso 0 dist 6.86851 12.2372 6.41286 12.8799 6.20661 6.7547 numMergedOcc 0
15 mol 230 unq 1 iso 0 dist 9.88392 9.33469 6.41286 10.0551 6.20661 6.7547 numMergedOcc 0
16 mol 236 unq 0 iso 0 dist 5.6241 7.45579 8.50331 11.8908 7.22918 9.81562 numMergedOcc 0
17 mol 236 unq 1 iso 0 dist 5.6241 7.45579 8.50331 12.0498 9.05842 7.68742 numMergedOcc 0
18 mol 236 unq 2 iso 0 dist 5.6241 7.45579 8.50331 5.90804 7.00028 6.27581 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 8.35413 5.38982 6.70815 10.5395 7.42673 6.60405 numMergedOcc 0
20 mol 258 unq 1 iso 0 dist 8.35413 12.3699 7.99477 10.5395 7.42673 6.42289 numMergedOcc 0
