0 mol 36 unq 0 iso 0 dist 4.10339 7.11464 6.94144 6.1084 9.13645 8.96522 5.19317 5.83354 11.0721 10.841 numMergedOcc 0
1 mol 61 unq 0 iso 0 dist 9.72716 7.25041 10.8154 9.65903 9.97259 3.79493 6.27103 8.30431 9.32664 11.3926 numMergedOcc 0
2 mol 61 unq 1 iso 0 dist 9.72716 7.25041 10.8154 9.65903 9.97259 3.79493 6.86236 4.628 10.5121 10.5339 numMergedOcc 0
3 mol 62 unq 0 iso 0 dist 7.30392 5.44722 12.2954 5.92285 10.9045 5.50712 10.9933 7.61631 16.3219 14.5794 numMergedOcc 0
4 mol 62 unq 1 iso 0 dist 7.30392 5.44722 12.2954 8.38687 15.6343 3.94504 10.9933 7.61631 16.3219 18.5429 numMergedOcc 0
5 mol 103 unq 0 iso 0 dist 8.70106 9.61913 12.2951 9.43076 10.6434 5.32166 11.4822 7.81042 18.2247 17.6268 numMergedOcc 0
6 mol 114 unq 0 iso 0 dist 9.15982 9.82907 11.585 6.68983 5.33859 11.3075 14.0132 9.6874 19.7236 12.707 numMergedOcc 0
7 mol 148 unq 0 iso 0 dist 6.72591 9.92375 9.82423 9.8506 8.01366 5.62734 7.50382 9.71692 11.6016 8.3656 numMergedOcc 0
8 mol 167 unq 0 iso 0 dist 6.6514 7.93807 7.33075 5.57495 8.23378 5.43662 10.8805 9.82329 9.69399 13.2247 numMergedOcc 0
9 mol 167 unq 1 iso 0 dist 6.6514 7.93807 7.33075 9.38297 12.2546 5.95858 10.8805 9.82329 9.69399 11.7438 numMergedOcc 0
10 mol 184 unq 0 iso 0 dist 7.51045 5.92785 8.78943 8.32647 14.7937 7.81466 9.14602 9.45847 5.0207 12.1896 numMergedOcc 0
11 mol 184 unq 1 iso 0 dist 7.51045 5.92785 8.78943 8.32647 14.7937 7.81466 13.1965 7.895 15.7817 20.1076 numMergedOcc 0
12 mol 214 unq 0 iso 0 dist 5.12798 8.95218 5.30923 8.02723 4.47554 3.91276 7.70847 9.81136 13.9681 10.9167 numMergedOcc 0
13 mol 214 unq 1 iso 0 dist 5.12798 8.95218 5.30923 8.02723 4.47554 3.91276 6.52672 7.25293 7.43301 5.79617 numMergedOcc 0
14 mol 279 unq 0 iso 0 dist 5.00402 9.36891 5.10287 9.813 7.38256 5.61412 10.1637 9.98985 8.79637 5.60922 numMergedOcc 0
15 mol 279 unq 1 iso 0 dist 5.00402 9.36891 5.10287 9.813 7.38256 5.61412 5.61514 7.22295 8.88458 10.2864 numMergedOcc 0
16 mol 279 unq 2 iso 0 dist 5.00402 9.36891 5.10287 6.63442 5.37778 9.93952 10.1637 9.98985 8.79637 15.044 numMergedOcc 0
17 mol 279 unq 3 iso 0 dist 5.00402 9.36891 5.10287 6.63442 5.37778 9.93952 5.61514 7.22295 8.88458 10.5822 numMergedOcc 0
18 mol 279 unq 4 iso 0 dist 5.00402 7.37358 6.69582 9.813 7.38256 11.7578 10.1637 9.98985 14.9954 5.60922 numMergedOcc 0
19 mol 279 unq 5 iso 0 dist 5.00402 7.37358 6.69582 9.813 7.38256 11.7578 5.61514 7.22295 12.4413 10.2864 numMergedOcc 0
20 mol 279 unq 6 iso 0 dist 5.00402 7.37358 6.69582 6.63442 5.37778 4.05042 10.1637 9.98985 14.9954 15.044 numMergedOcc 0
21 mol 279 unq 7 iso 0 dist 5.00402 7.37358 6.69582 6.63442 5.37778 4.05042 5.61514 7.22295 12.4413 10.5822 numMergedOcc 0
22 mol 287 unq 0 iso 0 dist 4.66252 9.52718 13.0167 7.74312 10.6613 5.97664 5.44878 4.49185 13.9091 9.94851 numMergedOcc 0
23 mol 288 unq 0 iso 0 dist 4.66252 9.52718 13.0167 7.74312 10.6613 5.97664 5.44878 4.49185 13.9091 9.94851 numMergedOcc 0
24 mol 289 unq 0 iso 0 dist 4.66252 9.52718 13.0167 7.74312 10.6613 5.97664 5.44878 4.49185 13.9091 9.94851 numMergedOcc 0
