0 mol 4 unq 0 iso 0 dist 8.15534 5.12159 6.12485 10.7952 9.04027 9.77707 7.58769 6.21697 6.86951 14.3341 numMergedOcc 0
1 mol 87 unq 0 iso 0 dist 6.62798 10.7803 9.90256 5.34066 5.63748 10.445 11.2078 6.69898 7.57471 11.1249 numMergedOcc 0
2 mol 87 unq 1 iso 0 dist 6.62798 5.34066 5.63748 10.7803 9.90256 10.445 8.21588 5.38943 5.62336 14.3873 numMergedOcc 0
3 mol 87 unq 2 iso 0 dist 9.94718 13.2349 9.90256 5.22028 5.63748 10.445 14.8798 6.69898 7.57471 11.1249 numMergedOcc 0
4 mol 87 unq 3 iso 0 dist 9.94718 5.22028 5.63748 13.2349 9.90256 10.445 8.15104 5.38943 5.62336 14.3873 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 5.8915 5.29804 8.078 8.4824 6.56481 11.6637 7.95136 6.73664 7.66418 13.1619 numMergedOcc 0
6 mol 115 unq 0 iso 0 dist 9.18707 5.31483 9.67606 10.4327 8.80824 6.10898 5.91786 5.54133 9.41083 11.8022 numMergedOcc 0
7 mol 189 unq 0 iso 0 dist 9.36549 9.94975 7.54658 5.42089 6.77641 6.4062 16.7787 8.91303 9.95686 14.0544 numMergedOcc 0
8 mol 204 unq 0 iso 0 dist 6.58174 10.9794 6.20044 9.00243 8.41232 6.2357 15.0667 8.63339 6.62514 12.3365 numMergedOcc 0
9 mol 204 unq 1 iso 0 dist 6.58174 10.9794 6.20044 9.00243 8.41232 6.2357 16.9923 11.09 9.41996 15.3934 numMergedOcc 0
10 mol 214 unq 0 iso 0 dist 7.24175 11.0439 5.86911 8.85251 7.89258 5.68826 16.1156 8.94237 7.82201 12.9008 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 5.60195 12.9073 8.57174 5.84371 9.89039 15.5559 16.758 12.1405 6.80214 18.0464 numMergedOcc 0
12 mol 220 unq 1 iso 0 dist 7.87359 15.2936 8.57174 4.72275 9.89039 15.5559 17.272 12.1405 6.80214 18.0464 numMergedOcc 0
13 mol 245 unq 0 iso 0 dist 8.03294 15.5115 7.95061 8.2332 9.96585 14.3262 23.2766 15.2703 9.5096 22.6305 numMergedOcc 0
14 mol 245 unq 1 iso 0 dist 8.03294 15.5115 7.95061 9.39435 7.27022 9.67137 23.2766 15.2703 9.5096 18.6442 numMergedOcc 0
15 mol 261 unq 0 iso 0 dist 6.93654 6.94755 6.0437 4.95392 7.58385 5.29945 9.66298 4.70691 4.85199 9.25991 numMergedOcc 0
16 mol 261 unq 1 iso 0 dist 6.93654 6.94755 6.0437 4.95392 7.58385 5.29945 15.0007 9.51335 9.13604 12.7905 numMergedOcc 0
17 mol 261 unq 2 iso 0 dist 9.66298 6.94755 4.85199 17.3605 9.72159 10.4196 6.93654 4.70691 6.0437 13.9529 numMergedOcc 0
18 mol 261 unq 3 iso 0 dist 9.66298 6.94755 4.85199 17.3605 9.72159 10.4196 15.0007 6.43452 9.13604 6.89731 numMergedOcc 0
19 mol 261 unq 4 iso 0 dist 9.66298 17.3605 9.72159 6.94755 4.85199 10.4196 15.0007 6.43452 6.89731 9.13604 numMergedOcc 0
20 mol 266 unq 0 iso 0 dist 7.72433 5.86368 6.57444 4.95934 7.9555 5.77131 13.8533 13.1611 9.39714 10.1316 numMergedOcc 0
21 mol 266 unq 1 iso 0 dist 7.72433 4.95934 7.9555 5.86368 6.57444 5.77131 9.46926 6.70676 8.8646 11.4453 numMergedOcc 0
