0 mol 5 unq 0 iso 0 dist 5.14917 5.14334 9.38842 4.34873 6.77563 8.08754 numMergedOcc 0
1 mol 8 unq 0 iso 0 dist 6.68091 5.37245 9.95422 9.62683 8.89145 12.7683 numMergedOcc 0
2 mol 8 unq 1 iso 0 dist 6.68091 5.37245 9.95422 7.08043 6.92865 12.3778 numMergedOcc 0
3 mol 8 unq 2 iso 0 dist 6.68091 6.66708 7.65219 9.62683 8.89145 13.0138 numMergedOcc 0
4 mol 8 unq 3 iso 0 dist 6.68091 6.66708 7.65219 7.08043 6.92865 5.95251 numMergedOcc 0
5 mol 12 unq 0 iso 0 dist 4.62913 7.57142 9.99955 5.85944 8.17618 10.8817 numMergedOcc 0
6 mol 41 unq 0 iso 0 dist 8.45063 5.91275 6.42931 9.08934 4.68793 8.85978 numMergedOcc 0
7 mol 43 unq 0 iso 0 dist 5.44077 5.41731 6.76674 5.16403 9.05728 5.90331 numMergedOcc 0
8 mol 68 unq 0 iso 0 dist 7.7307 9.00774 9.85982 6.94239 5.57389 5.31976 numMergedOcc 0
9 mol 94 unq 0 iso 0 dist 6.91081 4.59595 9.59655 12.7331 9.10488 12.4105 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 8.1375 7.3651 5.24823 8.44658 7.55805 5.54757 numMergedOcc 0
11 mol 132 unq 0 iso 0 dist 7.16287 11.926 7.73306 4.90475 6.495 11.6877 numMergedOcc 0
12 mol 132 unq 1 iso 0 dist 7.16287 11.926 7.73306 6.34266 9.43748 11.8999 numMergedOcc 0
13 mol 133 unq 0 iso 0 dist 5.01269 6.58277 8.54607 6.49846 5.97805 7.50335 numMergedOcc 0
14 mol 133 unq 1 iso 0 dist 5.9962 10.218 8.08807 4.58263 8.96061 12.058 numMergedOcc 0
15 mol 133 unq 2 iso 0 dist 8.61448 9.64947 8.08807 10.1805 8.96061 12.058 numMergedOcc 0
16 mol 152 unq 0 iso 0 dist 5.28423 5.3105 6.26222 5.01633 8.44823 5.85081 numMergedOcc 0
17 mol 168 unq 0 iso 0 dist 9.60268 8.67578 9.95547 6.51864 8.8573 9.45588 numMergedOcc 0
18 mol 168 unq 1 iso 0 dist 8.79954 5.21399 9.95547 5.14137 8.8573 9.45588 numMergedOcc 0
19 mol 175 unq 0 iso 0 dist 7.7013 6.623 9.30469 12.3666 6.73365 12.0877 numMergedOcc 0
20 mol 175 unq 1 iso 0 dist 7.7013 6.623 9.30469 12.3067 9.45659 9.79219 numMergedOcc 0
21 mol 175 unq 2 iso 0 dist 7.7013 6.623 9.30469 7.28603 9.44856 5.94412 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 5.83898 5.6932 4.47148 9.40372 9.08672 7.6995 numMergedOcc 0
23 mol 217 unq 0 iso 0 dist 8.60259 9.79986 9.94746 3.99617 9.90668 6.92624 numMergedOcc 0
24 mol 219 unq 0 iso 0 dist 7.26376 8.73781 9.48678 5.0241 8.09769 13.0834 numMergedOcc 0
25 mol 219 unq 1 iso 0 dist 7.26376 8.73781 9.48678 4.36122 7.24832 6.90908 numMergedOcc 0
26 mol 220 unq 0 iso 0 dist 8.55805 10.4255 6.45234 15.5892 7.30244 8.70715 numMergedOcc 0
27 mol 220 unq 1 iso 0 dist 8.55805 10.4255 6.45234 15.0704 7.29796 10.898 numMergedOcc 0
28 mol 247 unq 0 iso 0 dist 8.21164 14.3657 7.49895 14.6138 7.29178 5.61078 numMergedOcc 0
29 mol 276 unq 0 iso 0 dist 9.5388 15.2084 9.15041 10.8564 8.95876 5.88008 numMergedOcc 0
30 mol 276 unq 1 iso 0 dist 9.5388 15.2084 9.15041 12.2055 8.259 9.98469 numMergedOcc 0
