0 mol 1 unq 0 iso 0 dist 9.40771 7.90358 5.96833 13.813 4.50502 8.56884 numMergedOcc 0
1 mol 1 unq 1 iso 0 dist 8.7275 6.03793 5.96833 8.27735 4.50502 8.56884 numMergedOcc 0
2 mol 76 unq 0 iso 0 dist 8.18572 8.36307 9.4866 8.51543 5.31985 6.21982 numMergedOcc 0
3 mol 76 unq 1 iso 0 dist 8.18572 8.36307 9.4866 15.1609 15.4159 8.19682 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 9.21978 5.39389 8.0168 5.11612 6.63111 7.76729 numMergedOcc 0
5 mol 115 unq 1 iso 0 dist 9.26505 5.26498 7.65255 5.22628 6.95773 7.64585 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 9.13631 6.15672 5.52149 6.76166 11.5407 8.94837 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 9.13631 6.15672 5.52149 7.2977 5.91192 7.77454 numMergedOcc 0
8 mol 140 unq 0 iso 0 dist 9.62309 5.88778 6.88846 7.81701 4.91618 8.19104 numMergedOcc 0
9 mol 173 unq 0 iso 0 dist 5.82174 9.00192 6.52508 10.6341 6.91529 7.93331 numMergedOcc 0
10 mol 173 unq 1 iso 0 dist 5.82174 9.00192 6.52508 13.4919 9.44845 6.98095 numMergedOcc 0
11 mol 173 unq 2 iso 0 dist 5.82174 9.00192 6.52508 9.09857 3.74688 8.31897 numMergedOcc 0
12 mol 175 unq 0 iso 0 dist 8.03208 11.0605 9.76114 7.94593 5.00913 9.31887 numMergedOcc 0
13 mol 181 unq 0 iso 0 dist 7.83476 12.188 9.09234 12.074 6.8757 4.93785 numMergedOcc 0
14 mol 197 unq 0 iso 0 dist 9.67667 10.4381 9.27218 12.6912 17.0276 8.99696 numMergedOcc 0
15 mol 218 unq 0 iso 0 dist 5.4767 6.81684 9.59426 11.0189 13.7327 9.50586 numMergedOcc 0
16 mol 218 unq 1 iso 0 dist 5.4767 4.40481 8.61306 10.7262 15.6802 7.17547 numMergedOcc 0
17 mol 218 unq 2 iso 0 dist 5.4767 4.40481 8.61306 11.0189 13.7327 7.13323 numMergedOcc 0
18 mol 234 unq 0 iso 0 dist 6.39499 6.40261 8.27411 8.9413 3.95629 9.5707 numMergedOcc 0
19 mol 234 unq 1 iso 0 dist 6.39499 4.48571 7.36208 6.15754 5.53885 6.25105 numMergedOcc 0
20 mol 234 unq 2 iso 0 dist 6.39499 4.48571 7.36208 8.9413 3.95629 7.85175 numMergedOcc 0
