0 mol 0 unq 0 iso 0 dist 7.31837 7.65884 8.34244 5.66453 6.64713 4.04089 11.2184 8.73015 8.66548 10.8612 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.44507 6.77783 5.497 14.6525 9.5053 14.3325 9.90986 4.76998 9.06516 6.38243 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 9.44507 6.77783 5.497 14.6525 9.5053 14.3325 13.0329 5.39199 6.79475 13.9894 numMergedOcc 0
3 mol 27 unq 0 iso 0 dist 5.66743 11.6846 7.60283 5.82138 7.45532 14.2471 16.9354 13.4461 6.78936 18.6132 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 7.42669 8.05284 7.60283 9.93763 7.45532 14.2471 11.0223 13.4461 6.78936 18.6132 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 5.84625 10.3974 7.6481 9.05877 6.62229 5.36808 11.0988 5.45005 8.13051 6.87028 numMergedOcc 0
6 mol 98 unq 0 iso 0 dist 5.94696 9.47873 6.0129 11.7159 8.43352 13.6622 5.08983 3.92737 4.44979 12.2279 numMergedOcc 0
7 mol 98 unq 1 iso 0 dist 5.94696 9.47873 6.0129 11.7159 8.43352 13.6622 9.58039 3.94967 6.61111 8.75597 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 8.96382 4.7832 5.79343 5.84023 9.17466 4.69847 9.87348 4.08391 5.51885 7.59156 numMergedOcc 0
9 mol 119 unq 0 iso 0 dist 8.4733 6.02826 7.26955 6.64646 9.9151 9.0892 5.90003 10.3622 6.55202 12.3083 numMergedOcc 0
10 mol 119 unq 1 iso 0 dist 8.4733 6.02826 7.26955 6.64646 9.9151 9.0892 14.6053 14.9264 9.08536 16.8494 numMergedOcc 0
11 mol 126 unq 0 iso 0 dist 8.97111 4.56139 7.36017 5.93497 5.94233 5.83002 11.2195 3.9234 8.7789 9.48975 numMergedOcc 0
12 mol 126 unq 1 iso 0 dist 8.97111 4.56139 7.36017 5.93497 5.94233 5.83002 12.9831 5.50104 9.93613 8.66815 numMergedOcc 0
13 mol 173 unq 0 iso 0 dist 9.51638 12.905 6.64779 7.11509 8.03528 10.2821 13.9492 11.3761 8.62366 15.5457 numMergedOcc 0
14 mol 173 unq 1 iso 0 dist 9.51638 12.905 6.64779 7.11509 8.03528 10.2821 15.3514 9.90783 9.44973 16.6992 numMergedOcc 0
15 mol 173 unq 2 iso 0 dist 9.51638 12.905 6.64779 7.11509 8.03528 10.2821 9.26656 4.60149 6.52508 10.3478 numMergedOcc 0
16 mol 243 unq 0 iso 0 dist 8.55613 10.4928 7.12785 4.2759 7.44706 8.16841 16.957 10.1372 9.33476 13.6245 numMergedOcc 0
