0 mol 6 unq 0 iso 0 dist 8.30543 8.70244 11.7227 5.89121 8.31647 14.298 6.38732 7.54484 11.0664 7.50895 numMergedOcc 0
1 mol 51 unq 0 iso 0 dist 8.55004 7.12423 13.4355 7.24502 8.84151 13.4686 7.23303 7.73836 11.1952 5.2887 numMergedOcc 0
2 mol 67 unq 0 iso 0 dist 8.34804 9.46247 11 10.7182 8.27009 17.692 3.77705 6.44825 8.3733 11.2455 numMergedOcc 0
3 mol 67 unq 1 iso 0 dist 8.34804 9.46247 11 5.66613 5.80736 12.0054 3.77705 6.44825 8.3733 3.83735 numMergedOcc 0
4 mol 71 unq 0 iso 0 dist 8.39608 7.35142 5.87956 3.91691 8.92529 10.2053 10.3685 7.50921 12.595 7.78799 numMergedOcc 0
5 mol 71 unq 1 iso 0 dist 7.28815 9.50139 5.87956 10.1018 8.92529 10.2053 9.85206 7.50921 12.595 7.78799 numMergedOcc 0
6 mol 129 unq 0 iso 0 dist 7.13958 9.28278 4.80675 4.74644 7.6453 8.00624 9.05571 8.85652 5.51197 6.31483 numMergedOcc 0
7 mol 129 unq 1 iso 0 dist 7.13958 9.28278 4.80675 4.74644 7.6453 8.00624 9.63308 9.31543 6.69691 9.82512 numMergedOcc 0
8 mol 129 unq 2 iso 0 dist 7.13958 8.78082 7.01358 4.74644 7.6453 8.42289 9.05571 8.85652 12.8996 6.31483 numMergedOcc 0
9 mol 129 unq 3 iso 0 dist 7.13958 8.78082 7.01358 4.74644 7.6453 8.42289 9.63308 9.31543 15.3611 9.82512 numMergedOcc 0
10 mol 139 unq 0 iso 0 dist 5.77343 6.34417 4.78289 4.19005 8.78382 8.96275 4.37138 7.20542 5.80789 3.82037 numMergedOcc 0
11 mol 187 unq 0 iso 0 dist 5.82577 9.36086 4.98423 10.7172 5.58167 6.82787 5.93957 5.7938 10.6845 8.06583 numMergedOcc 0
12 mol 187 unq 1 iso 0 dist 5.82577 9.36086 4.98423 4.75665 8.0501 12.7503 5.93957 5.7938 10.6845 3.94358 numMergedOcc 0
13 mol 258 unq 0 iso 0 dist 9.52903 5.73834 9.78068 5.66907 8.10903 9.04358 11.7204 9.6327 15.8864 8.78474 numMergedOcc 0
14 mol 258 unq 1 iso 0 dist 9.52903 5.73834 9.78068 9.6053 7.25618 10.0455 11.7204 9.6327 15.8864 11.3267 numMergedOcc 0
15 mol 259 unq 0 iso 0 dist 8.06908 9.54857 6.18571 5.99165 8.54422 13.119 5.49348 8.40328 5.85442 11.0103 numMergedOcc 0
16 mol 259 unq 1 iso 0 dist 8.06908 9.54857 6.18571 5.99165 8.54422 13.119 5.13138 8.2518 6.95511 10.099 numMergedOcc 0
17 mol 259 unq 2 iso 0 dist 8.06908 9.54857 6.18571 4.78344 7.67473 10.895 5.49348 8.40328 5.85442 8.71577 numMergedOcc 0
18 mol 259 unq 3 iso 0 dist 8.06908 9.54857 6.18571 4.78344 7.67473 10.895 5.13138 8.2518 6.95511 6.47425 numMergedOcc 0
19 mol 277 unq 0 iso 0 dist 6.70414 9.29635 5.77904 12.5633 8.15119 4.81916 12.2421 9.91103 8.9682 13.1828 numMergedOcc 0
20 mol 277 unq 1 iso 0 dist 6.70414 9.29635 5.77904 12.5633 8.15119 4.81916 10.9521 7.0603 6.92711 10.6994 numMergedOcc 0
21 mol 287 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 9.23896 6.06665 10.85 5.19406 numMergedOcc 0
22 mol 288 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 9.23896 6.06665 10.85 5.19406 numMergedOcc 0
23 mol 289 unq 0 iso 0 dist 7.47179 7.26542 5.10722 6.53276 6.45597 9.32175 9.23896 6.06665 10.85 5.19406 numMergedOcc 0
