0 mol 5 unq 0 iso 0 dist 6.14476 9.71469 5.70163 10.9683 4.84696 5.63302 numMergedOcc 0
1 mol 5 unq 1 iso 0 dist 6.14476 9.71469 5.70163 10.7636 5.30421 4.55639 numMergedOcc 0
2 mol 20 unq 0 iso 0 dist 6.09002 10.5109 8.65986 9.45204 3.39356 9.39462 numMergedOcc 0
3 mol 20 unq 1 iso 0 dist 6.09002 13.0651 9.74724 9.45204 3.39356 9.13347 numMergedOcc 0
4 mol 24 unq 0 iso 0 dist 8.23075 7.6222 7.18124 4.7841 6.0925 6.47026 numMergedOcc 0
5 mol 24 unq 1 iso 0 dist 4.7841 7.6222 6.47026 8.23075 6.0925 7.18124 numMergedOcc 0
6 mol 81 unq 0 iso 0 dist 5.51927 8.57859 5.70283 10.955 5.45312 7.15043 numMergedOcc 0
7 mol 81 unq 1 iso 0 dist 5.51927 11.453 7.16741 10.955 5.45312 5.86142 numMergedOcc 0
8 mol 85 unq 0 iso 0 dist 9.01812 6.62562 7.67463 14.7287 16.5258 9.43843 numMergedOcc 0
9 mol 113 unq 0 iso 0 dist 8.99912 10.3188 6.13175 9.6716 5.7147 8.46167 numMergedOcc 0
10 mol 113 unq 1 iso 0 dist 8.99912 10.3188 6.13175 11.4818 3.74304 4.34107 numMergedOcc 0
11 mol 120 unq 0 iso 0 dist 6.42623 4.98499 9.43682 8.95899 8.68088 8.0564 numMergedOcc 0
12 mol 120 unq 1 iso 0 dist 8.95899 4.98499 8.0564 6.42623 8.68088 9.43682 numMergedOcc 0
13 mol 123 unq 0 iso 0 dist 8.111 9.43434 5.38148 12.3048 8.77423 8.20345 numMergedOcc 0
14 mol 178 unq 0 iso 0 dist 4.72821 4.43082 6.53017 10.5218 9.42585 8.83695 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 8.95136 13.3799 8.04472 17.6251 9.91264 5.62851 numMergedOcc 0
16 mol 252 unq 0 iso 0 dist 8.55044 5.8401 8.63893 15.3925 15.1028 9.84342 numMergedOcc 0
17 mol 258 unq 0 iso 0 dist 6.76495 7.84502 7.59138 12.1509 8.91869 5.3772 numMergedOcc 0
18 mol 258 unq 1 iso 0 dist 5.4557 9.31785 7.59138 11.3432 8.91869 5.3772 numMergedOcc 0
19 mol 266 unq 0 iso 0 dist 9.29666 11.0673 7.24165 12.0003 3.00605 8.53393 numMergedOcc 0
20 mol 283 unq 0 iso 0 dist 9.07995 6.79513 9.74797 12.3883 13.4236 9.90494 numMergedOcc 0
