0 mol 21 unq 0 iso 0 dist 8.5005 6.93185 9.81757 9.35562 13.2874 3.76294 numMergedOcc 0
1 mol 21 unq 1 iso 0 dist 8.5005 6.93185 9.81757 8.63857 5.62237 12.9404 numMergedOcc 0
2 mol 27 unq 0 iso 0 dist 7.56229 8.71752 12.7388 6.78936 3.39295 10.8132 numMergedOcc 0
3 mol 27 unq 1 iso 0 dist 7.56229 7.60283 13.3658 6.78936 3.39295 13.4461 numMergedOcc 0
4 mol 27 unq 2 iso 0 dist 9.94082 8.71752 6.50158 6.78936 13.5146 10.8132 numMergedOcc 0
5 mol 27 unq 3 iso 0 dist 9.94082 7.60283 5.92112 6.78936 13.5146 13.4461 numMergedOcc 0
6 mol 59 unq 0 iso 0 dist 8.36175 9.52272 12.5626 6.52887 12.1616 4.72639 numMergedOcc 0
7 mol 59 unq 1 iso 0 dist 8.36175 9.52272 12.5626 8.35444 6.05712 14.2005 numMergedOcc 0
8 mol 62 unq 0 iso 0 dist 9.27478 6.04903 10.029 9.1062 8.86183 4.09232 numMergedOcc 0
9 mol 62 unq 1 iso 0 dist 6.38768 6.04903 9.53337 9.1062 13.2209 4.09232 numMergedOcc 0
10 mol 62 unq 2 iso 0 dist 6.31321 6.04903 6.71999 9.1062 10.4612 4.09232 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 9.79579 7.70313 11.2619 8.0168 9.43951 10.3264 numMergedOcc 0
12 mol 115 unq 1 iso 0 dist 9.6234 7.52142 4.06012 7.65255 9.6129 6.44969 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 7.26577 7.41399 13.4021 8.55349 8.09422 11.4316 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 7.26577 8.21165 15.0869 8.55349 8.09422 12.3375 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 7.26577 8.97945 10.1259 8.55349 8.09422 4.10674 numMergedOcc 0
16 mol 133 unq 3 iso 0 dist 7.26577 9.50664 3.76218 8.55349 8.09422 6.24625 numMergedOcc 0
17 mol 133 unq 4 iso 0 dist 7.26577 6.71555 5.51374 8.55349 8.09422 6.11861 numMergedOcc 0
18 mol 162 unq 0 iso 0 dist 7.76954 8.30984 6.9137 6.65272 3.54419 3.91051 numMergedOcc 0
19 mol 162 unq 1 iso 0 dist 7.76954 8.30984 6.9137 9.66989 5.79041 3.88817 numMergedOcc 0
20 mol 173 unq 0 iso 0 dist 6.21271 8.41245 12.8386 8.62366 3.40693 16.0084 numMergedOcc 0
21 mol 173 unq 1 iso 0 dist 6.21271 8.41245 12.8386 9.44973 4.26173 13.8465 numMergedOcc 0
22 mol 173 unq 2 iso 0 dist 6.21271 8.41245 12.8386 6.52508 5.49842 11.2063 numMergedOcc 0
23 mol 173 unq 3 iso 0 dist 6.21271 6.64779 9.00139 8.62366 3.40693 11.3761 numMergedOcc 0
24 mol 173 unq 4 iso 0 dist 6.21271 6.64779 9.00139 9.44973 4.26173 9.90783 numMergedOcc 0
25 mol 173 unq 5 iso 0 dist 6.21271 6.64779 9.00139 6.52508 5.49842 4.60149 numMergedOcc 0
26 mol 173 unq 6 iso 0 dist 8.94895 8.41245 14.5446 8.62366 6.40851 16.0084 numMergedOcc 0
27 mol 173 unq 7 iso 0 dist 8.94895 8.41245 14.5446 9.44973 7.37 13.8465 numMergedOcc 0
28 mol 173 unq 8 iso 0 dist 8.94895 8.41245 14.5446 6.52508 3.39015 11.2063 numMergedOcc 0
29 mol 173 unq 9 iso 0 dist 8.94895 6.64779 7.55884 8.62366 6.40851 11.3761 numMergedOcc 0
30 mol 173 unq 10 iso 0 dist 8.94895 6.64779 7.55884 9.44973 7.37 9.90783 numMergedOcc 0
31 mol 173 unq 11 iso 0 dist 8.94895 6.64779 7.55884 6.52508 3.39015 4.60149 numMergedOcc 0
32 mol 222 unq 0 iso 0 dist 8.05878 9.92417 6.10577 6.15777 4.16585 7.99235 numMergedOcc 0
33 mol 227 unq 0 iso 0 dist 6.38497 7.57454 7.3021 7.79951 13.4488 12.8337 numMergedOcc 0
34 mol 273 unq 0 iso 0 dist 8.59684 8.85779 9.23974 9.35749 11.4899 10.5462 numMergedOcc 0
