0 mol 34 unq 0 iso 0 dist 6.87871 6.40741 8.04976 15.1968 9.99939 12.9209 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 6.87871 9.31366 9.01679 15.1968 9.99939 10.006 numMergedOcc 0
2 mol 38 unq 0 iso 0 dist 9.23576 9.18985 11.3707 7.10133 8.83233 14.4983 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 9.72442 9.53327 10.1488 9.61302 6.23522 14.7637 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 7.86724 8.66742 9.52327 3.68007 5.42067 9.68537 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.93703 6.13508 7.45148 8.99475 7.60162 6.21165 numMergedOcc 0
6 mol 130 unq 0 iso 0 dist 8.54461 5.05277 6.66056 4.81304 8.81797 8.00013 numMergedOcc 0
7 mol 130 unq 1 iso 0 dist 7.83619 5.05277 7.11959 4.81304 5.92733 8.00013 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.84018 8.70392 17.168 3.75786 5.78814 12.4466 numMergedOcc 0
9 mol 147 unq 0 iso 0 dist 9.18866 5.08863 8.93262 6.99467 6.73617 9.59327 numMergedOcc 0
10 mol 147 unq 1 iso 0 dist 9.18866 5.08863 8.93262 4.53687 9.03544 8.51399 numMergedOcc 0
11 mol 152 unq 0 iso 0 dist 9.74498 9.06844 14.4624 6.37913 7.55419 12.6211 numMergedOcc 0
12 mol 162 unq 0 iso 0 dist 9.82249 8.62413 4.20425 3.57652 7.93088 5.67088 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 7.31181 5.5781 6.59099 10.7786 9.96536 12.6071 numMergedOcc 0
14 mol 205 unq 0 iso 0 dist 8.43584 6.05667 11.6232 14.8213 9.31158 19.8707 numMergedOcc 0
15 mol 206 unq 0 iso 0 dist 9.72979 6.69623 11.7977 13.6373 9.4629 13.8013 numMergedOcc 0
16 mol 210 unq 0 iso 0 dist 9.67457 8.87054 18.0887 8.81074 6.85824 16.3871 numMergedOcc 0
17 mol 232 unq 0 iso 0 dist 8.68464 6.67239 14.3553 3.79439 8.60731 9.89191 numMergedOcc 0
18 mol 232 unq 1 iso 0 dist 8.68464 6.23146 11.776 3.79439 8.60731 9.83281 numMergedOcc 0
19 mol 265 unq 0 iso 0 dist 9.59213 7.49913 13.9888 13.876 8.54108 20.2931 numMergedOcc 0
20 mol 277 unq 0 iso 0 dist 9.02914 5.92532 4.37645 11.5613 7.42932 10.2401 numMergedOcc 0
21 mol 277 unq 1 iso 0 dist 6.90434 5.92532 7.70529 11.5613 4.9764 10.2401 numMergedOcc 0
22 mol 277 unq 2 iso 0 dist 6.90434 5.92532 7.70529 13.0566 6.36559 12.7666 numMergedOcc 0
23 mol 285 unq 0 iso 0 dist 8.71213 8.7964 10.4903 3.97296 6.71946 10.9915 numMergedOcc 0
24 mol 285 unq 1 iso 0 dist 8.71213 8.7964 10.4903 11.6681 8.28061 13.0442 numMergedOcc 0
25 mol 285 unq 2 iso 0 dist 8.71213 8.7964 10.4903 10.6606 5.03601 13.427 numMergedOcc 0
26 mol 285 unq 3 iso 0 dist 8.71213 7.24072 11.2696 3.97296 6.71946 10.4982 numMergedOcc 0
27 mol 285 unq 4 iso 0 dist 8.71213 7.24072 11.2696 11.6681 8.28061 16.2005 numMergedOcc 0
28 mol 285 unq 5 iso 0 dist 8.71213 7.24072 11.2696 10.6606 5.03601 15.1725 numMergedOcc 0
29 mol 294 unq 0 iso 0 dist 6.47832 6.1268 5.42688 4.99494 7.56669 9.93413 numMergedOcc 0
