0 mol 30 unq 0 iso 0 dist 8.609 10.8023 8.37503 16.6774 11.4088 8.204 numMergedOcc 0
1 mol 64 unq 0 iso 0 dist 8.99491 11.1165 9.10915 16.0779 14.8927 8.86433 numMergedOcc 0
2 mol 64 unq 1 iso 0 dist 8.99491 7.89444 5.54343 9.82294 5.9853 5.66803 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 8.65898 13.1954 8.64208 16.1744 13.0612 8.27009 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 8.65898 13.1954 8.64208 18.2893 11.8891 5.80736 numMergedOcc 0
5 mol 69 unq 0 iso 0 dist 8.91902 5.57378 8.31114 7.00234 4.33228 7.03224 numMergedOcc 0
6 mol 71 unq 0 iso 0 dist 8.85372 13.9588 8.21553 14.5287 6.10737 8.92529 numMergedOcc 0
7 mol 76 unq 0 iso 0 dist 6.4551 4.00834 4.83274 7.41861 10.6009 7.48127 numMergedOcc 0
8 mol 83 unq 0 iso 0 dist 9.21173 11.9566 7.77558 12.9318 4.94406 7.72515 numMergedOcc 0
9 mol 112 unq 0 iso 0 dist 7.15985 9.87475 5.81552 12.7328 6.29923 9.42014 numMergedOcc 0
10 mol 127 unq 0 iso 0 dist 9.42513 5.88232 8.62711 10.7696 11.2447 5.83719 numMergedOcc 0
11 mol 143 unq 0 iso 0 dist 8.30654 11.7934 7.5984 14.0649 9.02772 5.40826 numMergedOcc 0
12 mol 159 unq 0 iso 0 dist 4.91784 10.242 8.55431 16.6101 12.3309 9.54337 numMergedOcc 0
13 mol 159 unq 1 iso 0 dist 4.91784 10.242 8.55431 8.20121 5.10423 6.86212 numMergedOcc 0
14 mol 159 unq 2 iso 0 dist 4.91784 10.242 8.55431 7.52779 7.18851 9.9368 numMergedOcc 0
15 mol 167 unq 0 iso 0 dist 8.14096 11.1988 8.58946 11.8028 4.70374 7.20545 numMergedOcc 0
16 mol 167 unq 1 iso 0 dist 8.43038 5.44954 8.58946 6.28957 4.70374 7.20545 numMergedOcc 0
17 mol 167 unq 2 iso 0 dist 9.87966 9.15105 8.58946 7.34285 4.70374 7.20545 numMergedOcc 0
18 mol 171 unq 0 iso 0 dist 6.07091 5.24208 6.01711 10.0089 6.89436 6.19457 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 8.10287 7.47443 6.57849 10.6964 5.47046 4.81837 numMergedOcc 0
20 mol 205 unq 1 iso 0 dist 8.10287 7.47443 6.57849 5.47586 7.78052 6.43519 numMergedOcc 0
21 mol 206 unq 0 iso 0 dist 9.78438 5.59897 7.0119 13.4306 4.1887 9.42047 numMergedOcc 0
22 mol 214 unq 0 iso 0 dist 9.51764 18.2005 9.40003 25.58 17.1162 7.82201 numMergedOcc 0
23 mol 214 unq 1 iso 0 dist 5.36829 4.87713 9.40003 12.1655 17.1162 7.82201 numMergedOcc 0
24 mol 229 unq 0 iso 0 dist 5.57702 5.17118 8.0007 9.98251 8.75723 7.48693 numMergedOcc 0
25 mol 236 unq 0 iso 0 dist 9.05929 6.0905 6.73134 10.752 7.41812 4.71683 numMergedOcc 0
26 mol 236 unq 1 iso 0 dist 8.90987 7.84468 9.97357 14.6979 13.6195 8.63249 numMergedOcc 0
27 mol 241 unq 0 iso 0 dist 8.40773 4.84498 6.40592 9.12236 7.3737 7.26758 numMergedOcc 0
28 mol 241 unq 1 iso 0 dist 9.18476 6.70277 6.40592 12.5814 7.3737 7.26758 numMergedOcc 0
29 mol 261 unq 0 iso 0 dist 9.73983 11.7215 8.50313 12.7797 6.88989 7.58385 numMergedOcc 0
30 mol 261 unq 1 iso 0 dist 9.73983 11.7215 8.50313 12.4826 4.25662 6.0437 numMergedOcc 0
31 mol 261 unq 2 iso 0 dist 9.73983 13.4973 7.6414 12.4826 4.25662 4.85199 numMergedOcc 0
32 mol 261 unq 3 iso 0 dist 9.73983 13.4973 7.6414 21.6189 12.864 9.72159 numMergedOcc 0
