0 mol 18 unq 0 iso 0 dist 7.37356 10.8815 6.79099 7.426 9.51761 13.4014 numMergedOcc 0
1 mol 18 unq 1 iso 0 dist 7.37356 10.8815 6.79099 7.53082 7.3094 5.27833 numMergedOcc 0
2 mol 70 unq 0 iso 0 dist 9.49626 12.7235 9.74268 15.643 9.65964 6.95018 numMergedOcc 0
3 mol 92 unq 0 iso 0 dist 9.8079 5.84297 5.89394 5.182 7.4729 6.80709 numMergedOcc 0
4 mol 92 unq 1 iso 0 dist 9.8079 5.84297 5.89394 10.571 6.82344 6.20561 numMergedOcc 0
5 mol 92 unq 2 iso 0 dist 8.3558 11.0794 5.89394 15.1474 7.4729 6.80709 numMergedOcc 0
6 mol 92 unq 3 iso 0 dist 8.3558 11.0794 5.89394 8.66262 6.82344 6.20561 numMergedOcc 0
7 mol 95 unq 0 iso 0 dist 8.07365 9.72663 6.05043 14.1188 7.27724 6.40193 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 6.71345 8.20626 5.87387 6.49725 7.5732 6.4595 numMergedOcc 0
9 mol 122 unq 0 iso 0 dist 8.47907 9.39204 5.09114 9.75696 8.37808 6.01457 numMergedOcc 0
10 mol 134 unq 0 iso 0 dist 4.9155 4.94726 6.99089 9.30817 6.54501 10.1742 numMergedOcc 0
11 mol 134 unq 1 iso 0 dist 4.9155 4.94726 6.99089 10.879 6.49416 12.6542 numMergedOcc 0
12 mol 134 unq 2 iso 0 dist 8.49987 7.6215 6.99089 6.47843 6.54501 10.1742 numMergedOcc 0
13 mol 134 unq 3 iso 0 dist 8.49987 7.6215 6.99089 10.9399 6.49416 12.6542 numMergedOcc 0
14 mol 134 unq 4 iso 0 dist 9.42271 14.0511 6.99089 6.16353 6.54501 10.1742 numMergedOcc 0
15 mol 134 unq 5 iso 0 dist 9.42271 14.0511 6.99089 7.07625 6.49416 12.6542 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 9.74465 8.11056 6.07676 8.42326 8.03334 6.05039 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 9.43611 5.19393 8.3035 11.2069 8.82096 6.23589 numMergedOcc 0
18 mol 214 unq 1 iso 0 dist 9.43611 9.97926 9.01896 11.2069 8.82096 7.3913 numMergedOcc 0
19 mol 231 unq 0 iso 0 dist 6.02527 4.9457 8.17766 6.68357 7.37839 11.3675 numMergedOcc 0
20 mol 231 unq 1 iso 0 dist 6.02527 4.9457 8.17766 7.6832 8.40182 12.5238 numMergedOcc 0
21 mol 231 unq 2 iso 0 dist 6.02527 10.5801 9.84965 6.68357 7.37839 14.0116 numMergedOcc 0
22 mol 231 unq 3 iso 0 dist 6.02527 10.5801 9.84965 7.6832 8.40182 16.7305 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 9.39537 8.99495 9.82174 9.53107 6.57393 10.4397 numMergedOcc 0
24 mol 238 unq 1 iso 0 dist 8.97461 8.99495 9.2521 10.4685 6.22714 12.8083 numMergedOcc 0
25 mol 238 unq 2 iso 0 dist 8.97461 8.99495 9.2521 11.6506 7.31233 10.1821 numMergedOcc 0
26 mol 265 unq 0 iso 0 dist 8.49415 5.30097 4.96568 4.05162 8.4218 5.25115 numMergedOcc 0
