0 mol 12 unq 0 iso 0 dist 8.99098 7.8865 8.37383 13.4452 9.64703 17.13 numMergedOcc 0
1 mol 12 unq 1 iso 0 dist 8.99098 7.8865 8.37383 6.70723 7.96154 12.4753 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 8.34361 5.97635 5.65405 4.94741 6.10175 5.59773 numMergedOcc 0
3 mol 90 unq 0 iso 0 dist 7.68053 7.75811 6.1985 7.84652 8.39015 12.6828 numMergedOcc 0
4 mol 110 unq 0 iso 0 dist 9.71431 8.181 7.3992 6.72551 8.97683 12.2973 numMergedOcc 0
5 mol 112 unq 0 iso 0 dist 9.28645 7.53905 6.95852 9.10324 9.37708 9.67907 numMergedOcc 0
6 mol 112 unq 1 iso 0 dist 9.28645 7.15985 9.99381 9.10324 9.37708 14.7635 numMergedOcc 0
7 mol 131 unq 0 iso 0 dist 7.46875 7.81337 5.29825 6.68239 5.50364 8.97145 numMergedOcc 0
8 mol 131 unq 1 iso 0 dist 7.46875 7.81337 5.29825 7.74794 8.7301 6.5874 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.52322 8.96988 6.94867 9.45075 8.40343 14.3315 numMergedOcc 0
10 mol 207 unq 0 iso 0 dist 7.98453 9.18896 5.62653 6.26853 4.55528 5.08312 numMergedOcc 0
11 mol 214 unq 0 iso 0 dist 7.71569 5.36829 5.68711 8.72971 5.69733 8.49704 numMergedOcc 0
12 mol 229 unq 0 iso 0 dist 9.33775 8.6537 10.8091 8.62656 8.86628 14.0942 numMergedOcc 0
13 mol 229 unq 1 iso 0 dist 9.33775 8.75374 7.3983 8.62656 8.86628 13.577 numMergedOcc 0
14 mol 229 unq 2 iso 0 dist 9.33775 7.10634 5.87361 8.62656 8.86628 11 numMergedOcc 0
15 mol 229 unq 3 iso 0 dist 9.33775 5.57702 10.9466 8.62656 8.86628 13.7338 numMergedOcc 0
16 mol 232 unq 0 iso 0 dist 8.21479 7.70279 8.14537 8.47021 4.46314 11.6886 numMergedOcc 0
17 mol 232 unq 1 iso 0 dist 8.21479 9.29752 6.1648 8.47021 4.46314 9.36645 numMergedOcc 0
18 mol 235 unq 0 iso 0 dist 8.52954 7.08539 12.2063 8.47815 7.52696 15.0241 numMergedOcc 0
19 mol 258 unq 0 iso 0 dist 6.41167 5.73834 5.13233 3.95075 6.59521 8.58088 numMergedOcc 0
20 mol 259 unq 0 iso 0 dist 5.16838 5.90645 5.20592 5.45575 7.4294 10.3594 numMergedOcc 0
21 mol 259 unq 1 iso 0 dist 5.16838 5.90645 5.20592 10.6997 8.37253 12.6542 numMergedOcc 0
22 mol 259 unq 2 iso 0 dist 9.03983 6.42725 7.27401 4.77489 9.2772 10.0766 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 7.03782 9.09967 7.60191 11.0932 8.26695 12.3343 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 7.03782 9.09967 7.60191 5.66978 5.59151 7.79904 numMergedOcc 0
25 mol 274 unq 2 iso 0 dist 7.03782 9.09967 7.60191 10.88 8.17922 9.86142 numMergedOcc 0
26 mol 274 unq 3 iso 0 dist 7.03782 8.49076 13.8866 11.0932 8.26695 13.3926 numMergedOcc 0
27 mol 274 unq 4 iso 0 dist 7.03782 8.49076 13.8866 5.66978 5.59151 9.02749 numMergedOcc 0
28 mol 274 unq 5 iso 0 dist 7.03782 8.49076 13.8866 10.88 8.17922 18.734 numMergedOcc 0
29 mol 274 unq 6 iso 0 dist 9.04647 9.65265 5.56999 5.88732 7.24089 6.00877 numMergedOcc 0
