0 mol 25 unq 0 iso 0 dist 9.67955 9.67946 5.77186 6.04822 5.37485 5.32445 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 9.67955 9.67946 5.77186 7.72717 9.11808 9.32247 numMergedOcc 0
2 mol 46 unq 0 iso 0 dist 6.81211 6.19084 5.21113 9.72136 8.01746 5.8481 numMergedOcc 0
3 mol 46 unq 1 iso 0 dist 6.81211 6.19084 5.21113 4.61355 6.97552 4.07933 numMergedOcc 0
4 mol 62 unq 0 iso 0 dist 5.86234 5.44722 6.12351 5.92285 5.45648 5.50712 numMergedOcc 0
5 mol 62 unq 1 iso 0 dist 5.86234 5.44722 6.12351 8.38687 10.0519 3.94504 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 8.60633 8.14607 10.8667 4.88863 8.48041 3.85627 numMergedOcc 0
7 mol 71 unq 0 iso 0 dist 8.25891 5.70431 5.86791 5.21993 9.86951 5.42064 numMergedOcc 0
8 mol 114 unq 0 iso 0 dist 4.97091 9.82907 6.11353 6.68983 6.76872 11.3075 numMergedOcc 0
9 mol 125 unq 0 iso 0 dist 9.99265 8.6317 14.6801 9.69767 6.4982 10.0546 numMergedOcc 0
10 mol 130 unq 0 iso 0 dist 6.10045 9.96946 15.9654 6.81609 6.12306 15.6302 numMergedOcc 0
11 mol 130 unq 1 iso 0 dist 6.10045 9.96946 15.9654 7.86701 4.91853 17.2973 numMergedOcc 0
12 mol 130 unq 2 iso 0 dist 6.10045 9.96946 15.9654 9.77422 4.78135 19.2035 numMergedOcc 0
13 mol 141 unq 0 iso 0 dist 5.77703 9.45931 13.1683 7.20083 6.94742 11.0215 numMergedOcc 0
14 mol 141 unq 1 iso 0 dist 5.77703 6.35397 9.00056 7.20083 6.94742 10.7779 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 5.42362 8.03226 6.77421 9.97859 14.4394 13.8857 numMergedOcc 0
16 mol 279 unq 0 iso 0 dist 9.38614 9.36891 15.568 9.813 16.2907 5.61412 numMergedOcc 0
17 mol 279 unq 1 iso 0 dist 9.38614 9.36891 15.568 6.63442 6.39046 9.93952 numMergedOcc 0
18 mol 279 unq 2 iso 0 dist 9.38614 7.37358 4.99186 9.813 16.2907 11.7578 numMergedOcc 0
19 mol 279 unq 3 iso 0 dist 9.38614 7.37358 4.99186 6.63442 6.39046 4.05042 numMergedOcc 0
20 mol 292 unq 0 iso 0 dist 8.67773 5.67671 7.37725 6.01636 4.30667 6.56416 numMergedOcc 0
