0 mol 33 unq 0 iso 0 dist 8.41842 10.1727 7.44828 11.8297 7.82815 13.4442 13.689 5.7655 9.79966 11.483 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 8.41842 10.1727 7.44828 11.8297 7.82815 13.4442 12.2459 5.62472 5.52992 10.0077 numMergedOcc 0
2 mol 119 unq 0 iso 0 dist 9.34752 10.0813 5.2184 11.6896 8.93181 3.84072 15.0312 5.82484 9.20041 12.6377 numMergedOcc 0
3 mol 119 unq 1 iso 0 dist 8.41858 4.62337 5.2184 3.9434 8.93181 3.84072 10.6452 5.82484 9.20041 12.6377 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 7.13958 4.74644 7.6453 9.63308 9.31543 9.82512 9.28278 4.80675 8.00624 6.69691 numMergedOcc 0
5 mol 129 unq 1 iso 0 dist 7.13958 4.74644 7.6453 9.63308 9.31543 9.82512 8.78082 7.01358 8.42289 15.3611 numMergedOcc 0
6 mol 129 unq 2 iso 0 dist 7.13958 4.74644 7.6453 9.05571 8.85652 6.31483 9.28278 4.80675 8.00624 5.51197 numMergedOcc 0
7 mol 129 unq 3 iso 0 dist 7.13958 4.74644 7.6453 9.05571 8.85652 6.31483 8.78082 7.01358 8.42289 12.8996 numMergedOcc 0
8 mol 187 unq 0 iso 0 dist 5.82577 10.7172 5.58167 5.93957 5.7938 8.06583 9.36086 4.98423 6.82787 10.6845 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 12.5259 5.81438 7.35194 13.011 6.12296 9.24822 9.50721 numMergedOcc 0
10 mol 258 unq 0 iso 0 dist 9.17911 15.4705 8.10903 11.5766 9.6327 8.78474 18.9271 9.78068 9.04358 15.8864 numMergedOcc 0
11 mol 258 unq 1 iso 0 dist 9.52903 5.66907 8.10903 11.7204 9.6327 8.78474 5.73834 9.78068 9.04358 15.8864 numMergedOcc 0
12 mol 277 unq 0 iso 0 dist 6.70414 12.5633 8.15119 12.2421 9.91103 13.1828 9.29635 5.77904 4.81916 8.9682 numMergedOcc 0
13 mol 277 unq 1 iso 0 dist 6.70414 12.5633 8.15119 10.9521 7.0603 10.6994 9.29635 5.77904 4.81916 6.92711 numMergedOcc 0
14 mol 280 unq 0 iso 0 dist 6.0218 4.65268 4.45141 5.55901 7.4869 4.06908 9.16248 6.07005 5.41639 6.02353 numMergedOcc 0
15 mol 280 unq 1 iso 0 dist 6.0218 4.65268 4.45141 5.55901 7.4869 4.06908 9.02427 7.38048 7.96485 6.86234 numMergedOcc 0
16 mol 287 unq 0 iso 0 dist 7.47179 6.53276 6.45597 9.23896 6.06665 5.19406 7.26542 5.10722 9.32175 10.85 numMergedOcc 0
17 mol 288 unq 0 iso 0 dist 7.47179 6.53276 6.45597 9.23896 6.06665 5.19406 7.26542 5.10722 9.32175 10.85 numMergedOcc 0
18 mol 289 unq 0 iso 0 dist 7.47179 6.53276 6.45597 9.23896 6.06665 5.19406 7.26542 5.10722 9.32175 10.85 numMergedOcc 0
