0 mol 16 unq 0 iso 0 dist 6.36377 6.55076 8.33883 4.78943 5.05803 5.38671 9.8871 4.65873 8.63347 6.57331 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.36377 6.55076 8.33883 5.48395 6.31718 5.45161 9.8871 4.65873 8.63347 8.43054 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 6.11056 13.7241 9.90845 10.4744 8.86116 9.59761 8.94703 4.79736 9.03541 12.3058 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 6.11056 13.7241 9.90845 6.9756 8.38394 9.89489 8.94703 4.79736 9.03541 10.6772 numMergedOcc 0
4 mol 34 unq 0 iso 0 dist 7.10899 13.0514 6.87871 10.8741 9.24927 8.95909 13.9711 9.36867 9.45239 16.5571 numMergedOcc 0
5 mol 58 unq 0 iso 0 dist 6.36193 7.63046 7.84983 5.40367 6.62496 11.5882 8.85156 4.23671 8.63912 10.2845 numMergedOcc 0
6 mol 58 unq 1 iso 0 dist 4.88613 7.63046 9.56737 5.40367 6.35756 11.5882 8.85156 5.6823 8.63912 10.2845 numMergedOcc 0
7 mol 119 unq 0 iso 0 dist 5.63005 12.1048 9.42766 10.5268 8.73993 14.0677 9.10803 8.84069 7.14258 16.2889 numMergedOcc 0
8 mol 152 unq 0 iso 0 dist 8.07256 8.50267 9.10619 10.4039 8.56324 9.66339 11.756 4.84714 8.78112 8.9192 numMergedOcc 0
9 mol 152 unq 1 iso 0 dist 8.07256 8.50267 9.10619 11.1874 6.70283 13.9994 11.756 4.84714 8.78112 9.27706 numMergedOcc 0
10 mol 152 unq 2 iso 0 dist 8.07256 8.50267 9.10619 8.36099 7.16148 14.2552 11.756 4.84714 8.78112 11.6735 numMergedOcc 0
11 mol 224 unq 0 iso 0 dist 8.39002 9.97999 9.33771 9.98893 8.95269 5.41021 12.522 5.72475 8.96784 10.7726 numMergedOcc 0
12 mol 224 unq 1 iso 0 dist 8.39002 9.97999 9.33771 5.72088 6.57273 4.91322 12.522 5.72475 8.96784 9.29862 numMergedOcc 0
13 mol 224 unq 2 iso 0 dist 8.39002 9.97999 9.33771 6.51315 5.78342 12.979 12.522 5.72475 8.96784 11.3625 numMergedOcc 0
14 mol 224 unq 3 iso 0 dist 8.46129 9.97999 7.39839 6.31508 6.65832 7.65225 12.522 4.7981 8.96784 11.2123 numMergedOcc 0
15 mol 224 unq 4 iso 0 dist 8.46129 9.97999 7.39839 5.72088 6.60589 4.91322 12.522 4.7981 8.96784 9.29862 numMergedOcc 0
16 mol 224 unq 5 iso 0 dist 8.46129 9.97999 7.39839 6.51315 9.16166 12.979 12.522 4.7981 8.96784 11.3625 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 9.05929 6.83211 8.77254 4.32403 8.04248 5.74377 10.5185 4.66414 6.92437 8.23087 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 9.05929 6.83211 8.77254 4.38595 8.35971 10.054 10.5185 4.66414 6.92437 11.5798 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 9.13537 4.34203 6.83152 10.3859 6.57393 10.8336 12.5485 10.1427 8.28643 16.4383 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 6.44212 11.0479 6.37342 7.97883 6.16342 5.29737 14.1679 10.6736 7.69491 6.73665 numMergedOcc 0
21 mol 277 unq 0 iso 0 dist 9.29635 15.5244 6.90434 10.8075 9.7748 13.2927 11.7453 3.97543 8.18813 12.1398 numMergedOcc 0
22 mol 279 unq 0 iso 0 dist 7.74162 11.6227 8.13489 9.5773 9.70696 5.51096 11.3536 8.4236 8.16952 11.6372 numMergedOcc 0
