0 mol 12 unq 0 iso 0 dist 5.44478 7.4036 4.40652 8.79013 5.03514 5.21734 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 8.41008 9.67946 15.9786 6.04822 11.7739 5.32445 numMergedOcc 0
2 mol 25 unq 1 iso 0 dist 8.41008 9.67946 15.9786 7.72717 9.6251 9.32247 numMergedOcc 0
3 mol 36 unq 0 iso 0 dist 4.10339 7.11464 6.94144 6.1084 9.13645 8.96522 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 9.72716 7.25041 10.8154 9.65903 9.97259 3.79493 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 7.30392 5.44722 12.2954 5.92285 10.9045 5.50712 numMergedOcc 0
6 mol 62 unq 1 iso 0 dist 7.30392 5.44722 12.2954 8.38687 15.6343 3.94504 numMergedOcc 0
7 mol 68 unq 0 iso 0 dist 8.00814 7.38868 9.7068 8.2282 11.3486 3.85627 numMergedOcc 0
8 mol 68 unq 1 iso 0 dist 8.00814 9.04129 5.9436 8.2282 11.3486 7.15683 numMergedOcc 0
9 mol 71 unq 0 iso 0 dist 5.75102 5.70431 6.06105 5.21993 7.82219 5.42064 numMergedOcc 0
10 mol 103 unq 0 iso 0 dist 5.72494 9.61913 6.12629 9.43076 4.78648 5.32166 numMergedOcc 0
11 mol 103 unq 1 iso 0 dist 8.70106 9.61913 12.2951 9.43076 10.6434 5.32166 numMergedOcc 0
12 mol 114 unq 0 iso 0 dist 9.15982 9.82907 11.585 6.68983 5.33859 11.3075 numMergedOcc 0
13 mol 124 unq 0 iso 0 dist 6.31232 7.55095 5.34732 9.18988 10.4469 5.88667 numMergedOcc 0
14 mol 124 unq 1 iso 0 dist 6.79597 9.13301 8.85132 8.89976 5.18107 5.88667 numMergedOcc 0
15 mol 124 unq 2 iso 0 dist 7.17224 7.55095 8.85132 9.18988 5.18107 5.88667 numMergedOcc 0
16 mol 125 unq 0 iso 0 dist 4.81596 8.6317 6.22139 9.69767 5.72858 10.0546 numMergedOcc 0
17 mol 148 unq 0 iso 0 dist 8.60157 9.92375 13.7802 9.8506 16.0449 5.62734 numMergedOcc 0
18 mol 148 unq 1 iso 0 dist 6.72591 9.92375 9.82423 9.8506 8.01366 5.62734 numMergedOcc 0
19 mol 158 unq 0 iso 0 dist 6.45502 9.58371 5.97811 6.22696 7.41724 8.68377 numMergedOcc 0
20 mol 167 unq 0 iso 0 dist 6.6514 7.93807 7.33075 5.57495 8.23378 5.43662 numMergedOcc 0
21 mol 167 unq 1 iso 0 dist 6.6514 7.93807 7.33075 9.38297 12.2546 5.95858 numMergedOcc 0
22 mol 184 unq 0 iso 0 dist 7.51045 5.92785 8.78943 8.32647 14.7937 7.81466 numMergedOcc 0
23 mol 214 unq 0 iso 0 dist 5.12798 8.95218 5.30923 8.02723 4.47554 3.91276 numMergedOcc 0
24 mol 279 unq 0 iso 0 dist 5.00402 9.36891 5.10287 9.813 7.38256 5.61412 numMergedOcc 0
25 mol 279 unq 1 iso 0 dist 5.00402 9.36891 5.10287 6.63442 5.37778 9.93952 numMergedOcc 0
26 mol 279 unq 2 iso 0 dist 5.00402 7.37358 6.69582 9.813 7.38256 11.7578 numMergedOcc 0
27 mol 279 unq 3 iso 0 dist 5.00402 7.37358 6.69582 6.63442 5.37778 4.05042 numMergedOcc 0
28 mol 282 unq 0 iso 0 dist 7.28238 5.94224 5.64774 9.07173 7.78603 4.10152 numMergedOcc 0
29 mol 282 unq 1 iso 0 dist 7.3389 5.94224 5.61995 9.07173 8.55841 4.10152 numMergedOcc 0
30 mol 284 unq 0 iso 0 dist 5.62295 5.61727 6.50962 6.52085 7.38786 5.54042 numMergedOcc 0
31 mol 284 unq 1 iso 0 dist 5.62295 5.61727 6.50962 9.84174 11.9492 14.3479 numMergedOcc 0
32 mol 287 unq 0 iso 0 dist 4.66252 9.52718 13.0167 7.74312 10.6613 5.97664 numMergedOcc 0
33 mol 288 unq 0 iso 0 dist 4.66252 9.52718 13.0167 7.74312 10.6613 5.97664 numMergedOcc 0
34 mol 289 unq 0 iso 0 dist 4.66252 9.52718 13.0167 7.74312 10.6613 5.97664 numMergedOcc 0
