0 mol 113 unq 0 iso 0 dist 8.50734 5.70681 6.38269 13.1924 13.5639 9.44 numMergedOcc 0
1 mol 113 unq 1 iso 0 dist 8.50734 5.08157 7.11196 13.1924 13.5639 8.47634 numMergedOcc 0
2 mol 167 unq 0 iso 0 dist 9.15244 5.60897 8.88037 9.33818 3.85333 8.0697 numMergedOcc 0
3 mol 243 unq 0 iso 0 dist 6.30075 10.6784 8.35328 9.62793 5.23854 7.39884 numMergedOcc 0
4 mol 243 unq 1 iso 0 dist 9.7462 15.977 8.35328 12.2927 5.23854 7.39884 numMergedOcc 0
5 mol 252 unq 0 iso 0 dist 7.85891 4.20436 4.15692 6.87259 4.87406 5.2116 numMergedOcc 0
6 mol 252 unq 1 iso 0 dist 8.19911 5.45887 4.15692 6.31608 4.87406 5.2116 numMergedOcc 0
7 mol 266 unq 0 iso 0 dist 7.21215 4.5731 9.20906 9.00434 6.79927 7.43884 numMergedOcc 0
8 mol 281 unq 0 iso 0 dist 6.33726 10.8706 7.82358 11.2488 5.91239 9.05453 numMergedOcc 0
9 mol 281 unq 1 iso 0 dist 6.60861 7.60311 7.82358 11.8389 5.91239 9.05453 numMergedOcc 0
10 mol 281 unq 2 iso 0 dist 9.60142 4.49443 6.22003 11.3383 10.9156 9.34464 numMergedOcc 0
11 mol 287 unq 0 iso 0 dist 9.1299 11.9069 7.96707 19.7832 13.5162 9.03468 numMergedOcc 0
12 mol 287 unq 1 iso 0 dist 9.1299 11.9069 7.96707 11.0444 5.22713 6.05363 numMergedOcc 0
13 mol 288 unq 0 iso 0 dist 9.1299 11.9069 7.96707 19.7832 13.5162 9.03468 numMergedOcc 0
14 mol 288 unq 1 iso 0 dist 9.1299 11.9069 7.96707 11.0444 5.22713 6.05363 numMergedOcc 0
15 mol 289 unq 0 iso 0 dist 9.1299 11.9069 7.96707 19.7832 13.5162 9.03468 numMergedOcc 0
16 mol 289 unq 1 iso 0 dist 9.1299 11.9069 7.96707 11.0444 5.22713 6.05363 numMergedOcc 0
17 mol 294 unq 0 iso 0 dist 8.79534 15.1788 9.14005 21.7937 14.7951 8.81999 numMergedOcc 0
18 mol 294 unq 1 iso 0 dist 6.18078 9.41315 6.82335 14.3631 11.0879 8.81999 numMergedOcc 0
19 mol 294 unq 2 iso 0 dist 6.78706 9.41315 9.14005 14.3631 14.7951 8.81999 numMergedOcc 0
