0 mol 17 unq 0 iso 0 dist 9.38298 5.57445 7.34681 10.178 11.8805 8.6745 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 5.84559 6.18212 7.34681 13.8275 11.8805 8.6745 numMergedOcc 0
2 mol 32 unq 0 iso 0 dist 8.48238 5.87258 9.28158 9.16481 3.95884 7.29783 numMergedOcc 0
3 mol 55 unq 0 iso 0 dist 8.0481 7.39736 5.24742 11.1718 3.82233 8.21139 numMergedOcc 0
4 mol 55 unq 1 iso 0 dist 7.15203 7.39736 9.24055 11.1718 6.39865 8.21139 numMergedOcc 0
5 mol 67 unq 0 iso 0 dist 7.72671 5.72979 5.80736 5.35145 3.83735 6.44825 numMergedOcc 0
6 mol 76 unq 0 iso 0 dist 9.49371 10.6821 5.73235 15.0634 6.1999 6.14248 numMergedOcc 0
7 mol 76 unq 1 iso 0 dist 9.49371 15.7787 7.48127 15.0634 6.1999 6.97936 numMergedOcc 0
8 mol 76 unq 2 iso 0 dist 5.05941 10.205 5.73235 10.3895 6.1999 6.14248 numMergedOcc 0
9 mol 76 unq 3 iso 0 dist 5.05941 7.90785 7.48127 10.3895 6.1999 6.97936 numMergedOcc 0
10 mol 76 unq 4 iso 0 dist 9.66942 13.076 5.73235 14.595 6.1999 6.14248 numMergedOcc 0
11 mol 76 unq 5 iso 0 dist 9.66942 10.5881 7.48127 14.595 6.1999 6.97936 numMergedOcc 0
12 mol 129 unq 0 iso 0 dist 5.92115 10.9159 9.52061 15.5462 11.7456 8.57774 numMergedOcc 0
13 mol 132 unq 0 iso 0 dist 6.71787 4.24969 9.39389 9.40899 7.69707 8.62632 numMergedOcc 0
14 mol 192 unq 0 iso 0 dist 9.96128 11.3102 7.36571 14.978 6.62595 5.77035 numMergedOcc 0
15 mol 192 unq 1 iso 0 dist 6.69338 11.3102 9.17137 14.978 12.1003 5.77035 numMergedOcc 0
16 mol 192 unq 2 iso 0 dist 8.1637 12.0853 9.17137 17.1974 12.1003 5.77035 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 7.90944 10.4589 7.58554 13.5634 7.26668 7.98794 numMergedOcc 0
18 mol 258 unq 0 iso 0 dist 6.95552 7.51285 8.57274 16.4479 15.1125 9.81589 numMergedOcc 0
19 mol 258 unq 1 iso 0 dist 9.64956 5.99858 7.25618 12.0506 11.3267 9.6327 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 9.60625 7.6258 5.83342 14.1089 4.65271 9.53621 numMergedOcc 0
21 mol 292 unq 1 iso 0 dist 9.60625 7.6258 5.83342 14.6818 5.90311 9.24101 numMergedOcc 0
