0 mol 4 unq 0 iso 0 dist 9.06478 10.9482 4.88114 16.8847 9.84838 6.12485 18.253 9.81212 7.88748 4.10578 numMergedOcc 0
1 mol 4 unq 1 iso 0 dist 9.06478 10.9482 4.88114 15.9344 7.03689 9.04027 18.253 9.81212 7.88748 6.87439 numMergedOcc 0
2 mol 6 unq 0 iso 0 dist 7.76894 6.27506 6.1462 12.0151 8.54844 6.36157 14.5988 8.56432 9.56016 4.75733 numMergedOcc 0
3 mol 17 unq 0 iso 0 dist 9.52568 5.57445 9.26685 12.3596 5.4483 9.5937 10.178 4.86775 8.6745 3.79709 numMergedOcc 0
4 mol 17 unq 1 iso 0 dist 9.52568 5.57445 9.26685 9.38298 9.4204 7.34681 10.178 4.86775 8.6745 11.8805 numMergedOcc 0
5 mol 21 unq 0 iso 0 dist 8.33265 10.6614 6.72231 12.6313 5.10048 8.6232 10.215 3.5175 7.63222 7.04837 numMergedOcc 0
6 mol 64 unq 0 iso 0 dist 7.91538 16.185 9.3473 20.4543 12.8692 8.86433 22.1491 14.2457 9.899 4.63989 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 8.99189 10.6821 7.02854 9.49371 5.22567 5.73235 15.0634 8.66335 6.14248 6.1999 numMergedOcc 0
8 mol 76 unq 1 iso 0 dist 8.94097 10.205 7.02854 5.05941 5.22567 5.73235 10.3895 8.66335 6.14248 6.1999 numMergedOcc 0
9 mol 132 unq 0 iso 0 dist 9.0788 4.24969 8.15549 6.71787 10.8474 9.39389 9.40899 12.032 8.62632 7.69707 numMergedOcc 0
10 mol 158 unq 0 iso 0 dist 7.19084 10.3032 7.07348 17.0919 10.9312 9.96635 13.4125 8.38939 9.53944 5.47558 numMergedOcc 0
11 mol 239 unq 0 iso 0 dist 9.64616 11.1473 9.59937 11.0376 5.94643 7.58554 11.2841 3.80345 7.98794 7.26668 numMergedOcc 0
12 mol 258 unq 0 iso 0 dist 9.41308 11.49 6.08181 18.3453 10.8957 8.10903 14.5129 6.49094 9.6327 8.78474 numMergedOcc 0
13 mol 258 unq 1 iso 0 dist 9.41308 11.49 6.08181 18.6017 11.0025 7.25618 14.5129 6.49094 9.6327 11.3267 numMergedOcc 0
14 mol 258 unq 2 iso 0 dist 6.6688 5.99858 6.08181 12.5388 10.8957 8.10903 12.0506 6.49094 9.6327 8.78474 numMergedOcc 0
15 mol 258 unq 3 iso 0 dist 6.6688 5.99858 6.08181 9.64956 11.0025 7.25618 12.0506 6.49094 9.6327 11.3267 numMergedOcc 0
