0 mol 44 unq 0 iso 0 dist 8.60575 5.01912 6.11574 14.1434 9.9674 9.1276 numMergedOcc 0
1 mol 46 unq 0 iso 0 dist 6.64844 10.0955 7.43338 8.89554 3.66253 6.03151 numMergedOcc 0
2 mol 48 unq 0 iso 0 dist 9.41551 4.38483 8.87951 11.5788 4.73251 9.15275 numMergedOcc 0
3 mol 48 unq 1 iso 0 dist 9.16644 5.2387 7.88961 12.4636 5.08223 9.72232 numMergedOcc 0
4 mol 89 unq 0 iso 0 dist 9.46197 13.3363 6.86861 15.6266 8.04878 5.10735 numMergedOcc 0
5 mol 154 unq 0 iso 0 dist 7.56048 6.08354 4.62366 11.3212 4.65363 6.91511 numMergedOcc 0
6 mol 171 unq 0 iso 0 dist 9.94668 7.73766 4.59484 14.4443 5.35456 8.09699 numMergedOcc 0
7 mol 197 unq 0 iso 0 dist 6.22734 4.77702 7.69352 5.65314 3.35829 6.66653 numMergedOcc 0
8 mol 209 unq 0 iso 0 dist 8.31544 5.96238 8.8886 11.8721 5.01087 9.73136 numMergedOcc 0
9 mol 228 unq 0 iso 0 dist 8.52422 9.3381 6.97798 10.6245 4.61961 9.96994 numMergedOcc 0
10 mol 228 unq 1 iso 0 dist 8.26664 5.52794 6.97798 10.9688 4.61961 9.96994 numMergedOcc 0
11 mol 228 unq 2 iso 0 dist 9.33596 5.56223 6.97798 13.4829 4.61961 9.96994 numMergedOcc 0
12 mol 228 unq 3 iso 0 dist 9.68484 7.50953 6.97798 14.0653 4.61961 9.96994 numMergedOcc 0
13 mol 239 unq 0 iso 0 dist 7.90944 14.6255 7.10828 13.5634 7.26668 6.0567 numMergedOcc 0
14 mol 243 unq 0 iso 0 dist 6.77411 6.0421 7.2154 5.91328 6.87269 8.48003 numMergedOcc 0
15 mol 243 unq 1 iso 0 dist 6.77411 6.0421 7.2154 6.02146 4.4421 5.54003 numMergedOcc 0
16 mol 260 unq 0 iso 0 dist 8.67835 6.0591 8.13605 8.89336 7.02274 9.68232 numMergedOcc 0
17 mol 260 unq 1 iso 0 dist 8.67835 6.0591 8.13605 6.54521 4.58993 8.29663 numMergedOcc 0
18 mol 267 unq 0 iso 0 dist 7.71379 5.05875 6.79491 8.63426 6.15683 4.42902 numMergedOcc 0
19 mol 279 unq 0 iso 0 dist 6.74021 5.33357 8.52827 12.6855 13.4439 9.44618 numMergedOcc 0
