0 mol 9 unq 0 iso 0 dist 8.29595 16.6981 8.69493 12.9543 4.74921 4.19134 numMergedOcc 0
1 mol 9 unq 1 iso 0 dist 8.29595 13.0211 7.02963 12.9543 4.74921 5.5503 numMergedOcc 0
2 mol 24 unq 0 iso 0 dist 4.61828 5.06937 5.78238 7.12984 9.41655 9.82272 numMergedOcc 0
3 mol 24 unq 1 iso 0 dist 4.61828 5.06937 5.78238 5.31288 6.803 6.14082 numMergedOcc 0
4 mol 55 unq 0 iso 0 dist 7.43154 11.7579 9.06172 11.3663 9.63353 8.31634 numMergedOcc 0
5 mol 55 unq 1 iso 0 dist 7.66471 6.83662 6.05701 8.02914 8.9899 9.17803 numMergedOcc 0
6 mol 55 unq 2 iso 0 dist 7.66471 6.83662 6.05701 10.9066 8.45058 11.7107 numMergedOcc 0
7 mol 55 unq 3 iso 0 dist 7.66471 6.83662 6.05701 6.53022 7.73542 4.98995 numMergedOcc 0
8 mol 55 unq 4 iso 0 dist 8.05787 5.43855 6.05701 13.1058 8.9899 9.17803 numMergedOcc 0
9 mol 55 unq 5 iso 0 dist 8.05787 5.43855 6.05701 14.3366 8.45058 11.7107 numMergedOcc 0
10 mol 55 unq 6 iso 0 dist 8.05787 5.43855 6.05701 9.31655 7.73542 4.98995 numMergedOcc 0
11 mol 63 unq 0 iso 0 dist 9.16658 13.3077 8.34374 5.04771 4.92457 9.15638 numMergedOcc 0
12 mol 73 unq 0 iso 0 dist 8.91206 6.93186 9.23537 7.85784 8.59337 11.4114 numMergedOcc 0
13 mol 73 unq 1 iso 0 dist 8.91206 6.93186 9.23537 14.3054 7.66942 15.0963 numMergedOcc 0
14 mol 73 unq 2 iso 0 dist 8.67513 7.21044 9.23537 12.9922 8.59337 11.4114 numMergedOcc 0
15 mol 73 unq 3 iso 0 dist 8.67513 7.21044 9.23537 12.2368 7.66942 15.0963 numMergedOcc 0
16 mol 79 unq 0 iso 0 dist 6.07578 10.2713 7.52634 10.2068 8.51933 3.97869 numMergedOcc 0
17 mol 85 unq 0 iso 0 dist 9.55766 11.4747 8.15853 10.8131 9.81554 3.88626 numMergedOcc 0
18 mol 92 unq 0 iso 0 dist 5.22996 5.88809 8.95491 5.63423 7.7346 10.2236 numMergedOcc 0
19 mol 143 unq 0 iso 0 dist 6.93136 5.73493 6.63984 9.60132 8.56866 5.96417 numMergedOcc 0
20 mol 143 unq 1 iso 0 dist 6.93136 5.73493 6.63984 11.9534 5.66207 11.167 numMergedOcc 0
21 mol 162 unq 0 iso 0 dist 6.85463 3.96207 8.16601 5.29862 5.97934 3.57652 numMergedOcc 0
22 mol 186 unq 0 iso 0 dist 5.67811 4.96821 8.83254 9.25561 7.88501 8.78296 numMergedOcc 0
23 mol 186 unq 1 iso 0 dist 5.67811 4.96821 8.83254 7.75953 9.09585 9.60871 numMergedOcc 0
24 mol 210 unq 0 iso 0 dist 9.05206 9.98896 8.53457 17.0843 8.83523 13.4995 numMergedOcc 0
25 mol 220 unq 0 iso 0 dist 9.3439 14.6366 6.648 6.90422 5.37154 8.21022 numMergedOcc 0
