0 mol 43 unq 0 iso 0 dist 7.19567 6.59001 9.0979 10.2097 5.91829 8.03914 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 7.19567 6.59001 9.0979 14.3249 13.6933 9.04174 numMergedOcc 0
2 mol 85 unq 0 iso 0 dist 6.30598 5.03358 8.52436 8.03628 6.87788 6.2454 numMergedOcc 0
3 mol 88 unq 0 iso 0 dist 8.35786 11.3309 9.76849 17.5156 13.2069 6.89706 numMergedOcc 0
4 mol 126 unq 0 iso 0 dist 9.40595 6.51437 9.93116 4.92321 7.68024 9.52509 numMergedOcc 0
5 mol 128 unq 0 iso 0 dist 7.94925 9.02609 5.23695 12.976 8.36211 7.9883 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 8.65807 9.41378 7.15213 14.1241 7.55204 6.98077 numMergedOcc 0
7 mol 139 unq 0 iso 0 dist 7.83417 5.21231 7.20542 12.2917 6.5333 9.07404 numMergedOcc 0
8 mol 143 unq 0 iso 0 dist 7.10839 9.1255 9.70788 11.8234 7.87014 6.45477 numMergedOcc 0
9 mol 148 unq 0 iso 0 dist 5.78662 8.23396 8.09064 9.3072 6.51997 5.20262 numMergedOcc 0
10 mol 150 unq 0 iso 0 dist 5.47823 7.40922 8.00956 8.78461 6.53628 5.21792 numMergedOcc 0
11 mol 192 unq 0 iso 0 dist 6.6011 8.2928 5.08603 14.2658 8.15721 9.19818 numMergedOcc 0
12 mol 192 unq 1 iso 0 dist 8.82945 8.2928 5.77035 14.2658 7.66978 9.19818 numMergedOcc 0
13 mol 195 unq 0 iso 0 dist 8.3941 11.5968 7.75518 13.3237 6.15002 5.08438 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 7.24175 10.6488 8.89981 14.4224 11.4982 5.79617 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 7.4491 6.2985 8.31815 12.491 7.27413 9.85851 numMergedOcc 0
16 mol 239 unq 0 iso 0 dist 9.41633 6.11396 9.32928 6.05785 4.28792 5.68578 numMergedOcc 0
17 mol 239 unq 1 iso 0 dist 9.41633 6.11396 9.32928 12.0021 16.9613 9.50933 numMergedOcc 0
18 mol 273 unq 0 iso 0 dist 7.29081 4.3735 6.95569 8.24507 4.62586 5.63226 numMergedOcc 0
19 mol 292 unq 0 iso 0 dist 9.73559 8.29235 6.78424 9.94289 6.01509 7.02131 numMergedOcc 0
20 mol 292 unq 1 iso 0 dist 9.73559 11.5319 7.32002 9.94289 6.01509 6.79765 numMergedOcc 0
