0 mol 11 unq 0 iso 0 dist 5.95165 7.95811 9.62262 5.51164 6.40513 11.7169 numMergedOcc 0
1 mol 11 unq 1 iso 0 dist 5.7435 8.23032 9.99434 5.42831 6.97875 12.285 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.99491 6.23138 6.21578 11.1165 9.10915 12.219 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 8.99491 6.23138 6.21578 13.6507 8.66921 14.1509 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 8.99491 6.23138 6.21578 7.89444 5.54343 9.23947 numMergedOcc 0
5 mol 95 unq 0 iso 0 dist 9.65047 9.49995 11.4333 15.0981 9.40559 19.4788 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 7.15985 5.42828 5.39346 9.87475 5.81552 10.67 numMergedOcc 0
7 mol 115 unq 0 iso 0 dist 4.98864 6.66022 5.22052 9.35695 9.56867 11.856 numMergedOcc 0
8 mol 154 unq 0 iso 0 dist 6.23399 5.60184 7.51976 7.10961 9.04554 12.4333 numMergedOcc 0
9 mol 154 unq 1 iso 0 dist 6.23399 8.86862 5.02794 7.10961 9.04554 12.3901 numMergedOcc 0
10 mol 154 unq 2 iso 0 dist 6.23399 7.08477 7.23684 7.10961 9.04554 10.217 numMergedOcc 0
11 mol 162 unq 0 iso 0 dist 9.97921 8.63323 6.07158 12.2516 9.89142 14.0308 numMergedOcc 0
12 mol 171 unq 0 iso 0 dist 6.07091 6.80086 7.35753 5.24208 6.01711 11.0516 numMergedOcc 0
13 mol 205 unq 0 iso 0 dist 8.10287 8.86587 14.0496 7.47443 6.57849 15.8908 numMergedOcc 0
14 mol 206 unq 0 iso 0 dist 9.78438 8.15381 11.7977 5.59897 7.0119 11.6988 numMergedOcc 0
15 mol 206 unq 1 iso 0 dist 9.11298 9.7402 4.51687 12.6603 5.79186 10.0443 numMergedOcc 0
16 mol 206 unq 2 iso 0 dist 7.42904 9.7402 4.62682 11.233 8.73396 10.1577 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 8.62103 9.26092 10.4168 14.9127 8.07523 13.1616 numMergedOcc 0
18 mol 210 unq 1 iso 0 dist 8.62103 9.26092 10.4168 14.823 7.56882 15.8944 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 7.15815 9.69704 5.78064 13.127 8.53729 9.29788 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 7.15815 9.69704 5.78064 14.7487 8.07341 9.50983 numMergedOcc 0
