0 mol 43 unq 0 iso 0 dist 9.16827 12.092 6.20293 14.9909 8.13395 8.80331 7.56926 8.60739 9.06158 9.93832 numMergedOcc 0
1 mol 131 unq 0 iso 0 dist 6.38977 6.82985 8.40312 9.69757 5.55373 7.12972 6.53994 8.86329 5.89022 8.71039 numMergedOcc 0
2 mol 131 unq 1 iso 0 dist 6.38977 6.82985 8.40312 9.69757 5.55373 7.12972 13.4383 11.4206 9.32969 6.92648 numMergedOcc 0
3 mol 131 unq 2 iso 0 dist 6.38977 6.82985 8.40312 12.5659 10.7062 6.85062 13.4383 11.4206 9.32969 9.29384 numMergedOcc 0
4 mol 131 unq 3 iso 0 dist 9.69757 6.82985 7.12972 6.38977 5.55373 8.40312 6.53994 8.71039 5.89022 8.86329 numMergedOcc 0
5 mol 131 unq 4 iso 0 dist 9.69757 6.82985 7.12972 12.5659 6.63273 6.85062 13.4383 6.92648 9.32969 9.29384 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 6.99089 12.6542 6.49416 15.1189 8.80819 8.94367 20.5949 13.846 9.4027 8.20836 numMergedOcc 0
7 mol 181 unq 0 iso 0 dist 6.07676 6.05039 8.03334 13.5702 13.2049 9.1374 16.2865 15.2991 13.8722 6.51749 numMergedOcc 0
8 mol 181 unq 1 iso 0 dist 9.25528 11.4901 5.98885 11.3822 10.1912 9.09537 6.09526 6.51749 5.93488 7.20392 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.03567 12.2966 8.87694 16.5692 9.50685 9.09754 20.773 15.9107 9.97575 8.64409 numMergedOcc 0
10 mol 227 unq 0 iso 0 dist 9.93154 6.78651 9.34734 10.7118 6.99063 7.22101 17.2149 12.9778 11.0628 8.38865 numMergedOcc 0
11 mol 227 unq 1 iso 0 dist 9.93154 6.78651 9.34734 13.6059 7.60506 8.65997 17.2149 12.9778 11.0628 5.4694 numMergedOcc 0
12 mol 227 unq 2 iso 0 dist 9.93154 6.78651 9.34734 6.18486 9.51866 7.55216 5.98086 13.9889 10.6244 5.87815 numMergedOcc 0
13 mol 227 unq 3 iso 0 dist 9.18218 6.78651 7.56888 10.7118 10.8658 7.22101 17.2149 13.9676 11.0628 8.38865 numMergedOcc 0
14 mol 227 unq 4 iso 0 dist 9.18218 6.78651 7.56888 13.6059 9.70012 8.65997 17.2149 13.9676 11.0628 5.4694 numMergedOcc 0
15 mol 227 unq 5 iso 0 dist 9.18218 6.78651 7.56888 6.18486 4.48529 7.55216 5.98086 10.3595 10.6244 5.87815 numMergedOcc 0
16 mol 227 unq 6 iso 0 dist 6.18486 6.78651 7.55216 10.7118 12.4689 7.22101 17.2149 16.9219 11.0628 8.38865 numMergedOcc 0
17 mol 227 unq 7 iso 0 dist 6.18486 6.78651 7.55216 13.6059 12.9332 8.65997 17.2149 16.9219 11.0628 5.4694 numMergedOcc 0
18 mol 248 unq 0 iso 0 dist 8.34646 6.21372 8.2965 12.8567 10.8081 7.69895 10.7978 13.0539 5.99459 6.17052 numMergedOcc 0
19 mol 248 unq 1 iso 0 dist 8.34646 6.21372 8.2965 10.9878 5.86196 7.21521 10.7978 13.0539 5.99459 9.77666 numMergedOcc 0
20 mol 252 unq 0 iso 0 dist 9.78185 17.5012 8.33025 15.1099 6.0987 8.1148 19.4946 10.7615 9.32326 6.11473 numMergedOcc 0
21 mol 252 unq 1 iso 0 dist 9.78185 17.5012 8.33025 15.1099 6.0987 8.1148 21.8106 12.0482 5.89666 8.47784 numMergedOcc 0
22 mol 252 unq 2 iso 0 dist 9.78185 17.5012 8.33025 15.1099 6.0987 8.1148 13.7796 7.50201 11.056 6.53679 numMergedOcc 0
23 mol 252 unq 3 iso 0 dist 9.78185 16.8096 9.2288 15.1099 6.0987 8.1715 19.4946 10.7615 5.72783 6.11473 numMergedOcc 0
24 mol 252 unq 4 iso 0 dist 9.78185 16.8096 9.2288 15.1099 6.0987 8.1715 21.8106 12.0482 10.672 8.47784 numMergedOcc 0
25 mol 252 unq 5 iso 0 dist 9.78185 16.8096 9.2288 15.1099 6.0987 8.1715 13.7796 7.50201 5.23748 6.53679 numMergedOcc 0
26 mol 258 unq 0 iso 0 dist 7.22378 6.8193 6.60405 10.6039 7.26417 6.42289 4.56307 6.70815 7.42673 7.99477 numMergedOcc 0
27 mol 258 unq 1 iso 0 dist 7.22378 6.8193 6.60405 10.6039 7.26417 6.42289 8.5987 11.184 6.44209 7.86627 numMergedOcc 0
28 mol 259 unq 0 iso 0 dist 6.49599 13.8605 7.88519 9.47382 6.96053 7.46176 15.3317 10.5803 5.60748 8.55558 numMergedOcc 0
29 mol 259 unq 1 iso 0 dist 9.34738 13.8605 7.84554 9.47382 7.64658 7.46176 15.3317 12.4037 5.60748 8.55558 numMergedOcc 0
30 mol 272 unq 0 iso 0 dist 7.22438 10.3544 8.33638 7.66615 5.40809 8.46116 6.43352 11.9971 13.5034 9.19033 numMergedOcc 0
