0 mol 1 unq 0 iso 0 dist 6.2936 10.7639 7.83632 9.40027 3.81243 5.91417 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 8.98417 10.7786 5.497 11.8895 4.76998 9.06516 numMergedOcc 0
2 mol 26 unq 1 iso 0 dist 8.98417 10.7786 5.497 10.7173 5.39199 6.79475 numMergedOcc 0
3 mol 27 unq 0 iso 0 dist 7.96312 15.4799 7.60283 20.7923 13.4461 6.78936 numMergedOcc 0
4 mol 27 unq 1 iso 0 dist 7.67129 14.1714 7.60283 20.166 13.4461 6.78936 numMergedOcc 0
5 mol 41 unq 0 iso 0 dist 9.18836 6.26099 6.73801 12.0009 4.23447 7.29079 numMergedOcc 0
6 mol 41 unq 1 iso 0 dist 6.07294 6.26099 6.42834 12.0009 11.5146 7.29079 numMergedOcc 0
7 mol 67 unq 0 iso 0 dist 6.07108 12.2982 9.0008 10.4907 5.26394 8.96498 numMergedOcc 0
8 mol 67 unq 1 iso 0 dist 6.07108 12.2982 9.0008 16.8736 14.1568 7.5228 numMergedOcc 0
9 mol 67 unq 2 iso 0 dist 5.63802 13.1761 9.0008 6.44825 5.26394 8.96498 numMergedOcc 0
10 mol 67 unq 3 iso 0 dist 5.63802 13.1761 9.0008 19.3983 14.1568 7.5228 numMergedOcc 0
11 mol 115 unq 0 iso 0 dist 7.81731 5.80806 7.70313 12.3382 10.3264 8.0168 numMergedOcc 0
12 mol 128 unq 0 iso 0 dist 7.61237 10.8984 6.98158 13.1793 5.91388 6.47811 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 8.36723 5.73251 6.71555 12.643 6.11861 8.55349 numMergedOcc 0
14 mol 134 unq 0 iso 0 dist 7.50264 5.43722 6.93279 5.20195 6.06606 5.52149 numMergedOcc 0
15 mol 148 unq 0 iso 0 dist 9.77704 5.85057 8.28564 8.09064 3.92992 8.42899 numMergedOcc 0
16 mol 173 unq 0 iso 0 dist 9.31172 8.94838 6.64779 6.95244 11.3761 8.62366 numMergedOcc 0
17 mol 173 unq 1 iso 0 dist 9.31172 8.94838 6.64779 10.4446 9.90783 9.44973 numMergedOcc 0
18 mol 173 unq 2 iso 0 dist 9.31172 8.94838 6.64779 6.11224 4.60149 6.52508 numMergedOcc 0
19 mol 204 unq 0 iso 0 dist 9.23676 5.64245 7.10526 5.81438 6.65648 5.3819 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.32948 6.68039 6.78758 10.1837 4.00457 8.09249 numMergedOcc 0
21 mol 279 unq 0 iso 0 dist 7.66302 13.6577 9.24367 13.7464 9.85432 6.0283 numMergedOcc 0
22 mol 292 unq 0 iso 0 dist 8.67838 9.01459 5.7131 12.2505 3.92782 6.1905 numMergedOcc 0
23 mol 292 unq 1 iso 0 dist 8.67838 9.01459 5.7131 12.3587 5.93687 5.84792 numMergedOcc 0
24 mol 292 unq 2 iso 0 dist 8.67838 9.01459 5.7131 15.129 9.40023 8.73515 numMergedOcc 0
