0 mol 0 unq 0 iso 0 dist 6.80636 5.56852 5.88757 10.4388 4.62412 6.94943 10.5071 10.5603 6.0225 9.19007 numMergedOcc 0
1 mol 0 unq 1 iso 0 dist 9.23213 12.9149 8.66548 12.412 5.96303 6.94943 9.78068 10.4406 6.0225 9.19007 numMergedOcc 0
2 mol 1 unq 0 iso 0 dist 8.56884 4.50502 5.96833 6.09918 8.78328 7.27254 5.92202 11.9816 6.27888 8.26708 numMergedOcc 0
3 mol 20 unq 0 iso 0 dist 6.93199 7.06175 5.9809 12.7734 6.31611 8.25405 8.77584 6.4934 5.48225 8.72023 numMergedOcc 0
4 mol 26 unq 0 iso 0 dist 8.82012 5.56139 5.84066 10.4035 4.80984 6.73167 13.2136 9.16962 8.25132 5.69955 numMergedOcc 0
5 mol 26 unq 1 iso 0 dist 8.82012 5.56139 5.84066 10.4035 4.80984 6.73167 7.96502 10.9838 7.73394 8.6385 numMergedOcc 0
6 mol 26 unq 2 iso 0 dist 9.16962 8.25132 5.84066 5.69955 4.80984 6.73167 9.78225 10.9838 7.73394 8.6385 numMergedOcc 0
7 mol 58 unq 0 iso 0 dist 8.81638 6.07871 8.13051 10.8014 5.36808 6.87028 10.026 10.5905 4.00553 7.27383 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 7.39889 6.30721 6.55202 14.7025 8.96522 9.6121 11.6667 9.63176 6.9194 7.77116 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 7.39889 14.443 9.08536 14.7025 8.96522 9.57341 11.6667 9.63176 9.68677 7.77116 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 6.19042 6.20019 6.13374 13.1741 11.1324 9.57341 12.4603 14.0269 9.68677 7.77116 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 7.44174 12.4621 6.55202 13.1741 8.96522 9.6121 12.4603 9.63176 6.9194 7.77116 numMergedOcc 0
12 mol 119 unq 4 iso 0 dist 7.44174 6.20019 9.08536 13.1741 8.96522 9.57341 12.4603 9.63176 9.68677 7.77116 numMergedOcc 0
13 mol 119 unq 5 iso 0 dist 8.43904 4.39676 6.13374 12.6868 11.1324 9.57341 12.8594 14.0269 9.68677 7.77116 numMergedOcc 0
14 mol 126 unq 0 iso 0 dist 9.06011 11.9496 9.93613 13.4223 5.83002 8.66815 7.12167 7.75534 10.7549 9.46588 numMergedOcc 0
15 mol 194 unq 0 iso 0 dist 5.48258 4.66791 7.10155 8.83356 7.69247 6.72182 14.6506 12.1599 11.8031 6.26839 numMergedOcc 0
16 mol 194 unq 1 iso 0 dist 5.48258 4.66791 7.10155 8.83356 7.69247 6.72182 13.5632 13.8412 9.09233 8.12346 numMergedOcc 0
17 mol 194 unq 2 iso 0 dist 5.48258 4.66791 7.10155 8.83356 7.69247 6.72182 11.6097 10.3975 7.73551 8.2654 numMergedOcc 0
18 mol 195 unq 0 iso 0 dist 8.36117 6.04871 5.87439 7.62942 9.08602 6.34234 10.7531 9.36654 5.41635 6.60567 numMergedOcc 0
19 mol 195 unq 1 iso 0 dist 6.77578 6.04871 8.18059 7.62942 8.18628 6.34234 10.7531 11.955 5.41635 6.60567 numMergedOcc 0
20 mol 227 unq 0 iso 0 dist 8.17891 4.1511 7.79951 8.38865 5.92529 5.28771 5.22356 6.95902 4.69247 5.4694 numMergedOcc 0
21 mol 227 unq 1 iso 0 dist 6.95902 4.69247 7.79951 5.4694 5.92529 5.28771 5.22356 8.17891 4.1511 8.38865 numMergedOcc 0
