0 mol 30 unq 0 iso 0 dist 8.609 10.8023 8.37503 13.4305 6.40527 7.83595 16.6774 11.4088 8.204 10.5615 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 17.346 9.82646 9.3473 16.0779 14.8927 8.86433 12.8692 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 8.99491 7.89444 5.54343 12.8981 5.33496 6.08228 9.82294 5.9853 5.66803 5.88036 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 7.15985 9.87475 5.81552 15.8105 9.60908 9.42175 12.7328 6.29923 9.42014 5.44978 numMergedOcc 0
4 mol 127 unq 0 iso 0 dist 9.42513 5.88232 8.62711 13.1077 6.75619 8.98151 10.7696 11.2447 5.83719 8.21735 numMergedOcc 0
5 mol 159 unq 0 iso 0 dist 4.91784 10.242 8.55431 12.5372 8.50143 7.60912 16.6101 12.3309 9.54337 6.50839 numMergedOcc 0
6 mol 159 unq 1 iso 0 dist 4.91784 10.242 8.55431 12.5372 8.50143 7.60912 8.20121 5.10423 6.86212 8.83633 numMergedOcc 0
7 mol 159 unq 2 iso 0 dist 4.91784 10.242 8.55431 12.5372 8.50143 7.60912 7.52779 7.18851 9.9368 13.4546 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 8.14096 11.1988 8.58946 19.3396 13.1346 9.82329 11.8028 4.70374 7.20545 9.97915 numMergedOcc 0
9 mol 167 unq 1 iso 0 dist 8.43038 5.44954 8.58946 12.7444 13.1346 9.82329 6.28957 4.70374 7.20545 9.97915 numMergedOcc 0
10 mol 167 unq 2 iso 0 dist 9.87966 9.15105 8.58946 14.7796 13.1346 9.82329 7.34285 4.70374 7.20545 9.97915 numMergedOcc 0
11 mol 171 unq 0 iso 0 dist 6.07091 5.24208 6.01711 10.111 5.53673 9.47945 10.0089 6.89436 6.19457 10.2353 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 5.57702 5.17118 8.0007 12.3614 11.2438 8.36396 9.98251 8.75723 7.48693 5.52342 numMergedOcc 0
13 mol 236 unq 0 iso 0 dist 9.05929 6.0905 6.73134 12.3123 6.0258 9.13126 10.752 7.41812 4.71683 8.3795 numMergedOcc 0
14 mol 241 unq 0 iso 0 dist 8.40773 4.84498 6.40592 12.3126 4.86437 9.174 9.12236 7.3737 7.26758 10.9643 numMergedOcc 0
15 mol 241 unq 1 iso 0 dist 9.18476 6.70277 6.40592 8.15897 4.86437 9.174 12.5814 7.3737 7.26758 10.9643 numMergedOcc 0
16 mol 261 unq 0 iso 0 dist 9.73983 13.4973 7.6414 19.4867 11.544 9.70222 12.4826 4.25662 4.85199 10.6318 numMergedOcc 0
17 mol 261 unq 1 iso 0 dist 9.73983 13.4973 7.6414 19.4867 11.544 9.70222 21.6189 12.864 9.72159 4.97878 numMergedOcc 0
