0 mol 10 unq 0 iso 0 dist 9.1125 4.55975 8.03458 14.7966 9.03951 11.04 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.1125 11.8229 8.2106 14.7966 9.03951 9.13852 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 7.44542 4.60834 8.15864 10.9602 8.18296 10.1802 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 7.44542 4.60834 8.15864 10.4006 7.99569 11.8349 numMergedOcc 0
4 mol 29 unq 0 iso 0 dist 6.73481 9.50033 7.50258 7.7212 9.19374 5.07025 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 9.65672 14.3275 9.11512 13.5485 9.79863 5.05733 numMergedOcc 0
6 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 12.2427 9.42982 14.2762 numMergedOcc 0
7 mol 67 unq 1 iso 0 dist 8.34804 10.7182 8.27009 7.29309 8.17929 4.26531 numMergedOcc 0
8 mol 67 unq 2 iso 0 dist 8.34804 10.7182 8.27009 4.31746 5.63802 6.56501 numMergedOcc 0
9 mol 67 unq 3 iso 0 dist 8.34804 5.66613 5.80736 12.2427 9.42982 7.47077 numMergedOcc 0
10 mol 67 unq 4 iso 0 dist 8.34804 5.66613 5.80736 7.29309 8.17929 5.92208 numMergedOcc 0
11 mol 67 unq 5 iso 0 dist 8.34804 5.66613 5.80736 4.31746 5.63802 4.53519 numMergedOcc 0
12 mol 79 unq 0 iso 0 dist 8.01516 15.8477 8.64686 4.05986 7.99438 14.0351 numMergedOcc 0
13 mol 79 unq 1 iso 0 dist 8.01516 15.8477 8.64686 4.91535 6.64915 13.4228 numMergedOcc 0
14 mol 92 unq 0 iso 0 dist 5.37819 12.1737 8.15664 13.962 8.96747 4.92054 numMergedOcc 0
15 mol 101 unq 0 iso 0 dist 7.22737 6.01775 7.1859 5.08458 7.73086 4.93063 numMergedOcc 0
16 mol 102 unq 0 iso 0 dist 9.22651 12.1115 8.03869 10.9578 8.62829 3.99988 numMergedOcc 0
17 mol 102 unq 1 iso 0 dist 5.32892 7.26176 8.03869 6.21757 8.62829 3.99988 numMergedOcc 0
18 mol 103 unq 0 iso 0 dist 6.36357 10.4989 6.79959 11.6508 9.68619 3.96279 numMergedOcc 0
19 mol 103 unq 1 iso 0 dist 5.52999 6.64985 6.79959 9.46459 9.68619 3.96279 numMergedOcc 0
20 mol 124 unq 0 iso 0 dist 9.7589 7.73112 7.18976 11.2067 9.18949 11.7124 numMergedOcc 0
21 mol 165 unq 0 iso 0 dist 9.8446 4.08841 6.85551 9.96973 5.79029 6.57529 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 6.20851 5.93953 6.19457 4.47323 6.4751 9.13204 numMergedOcc 0
23 mol 171 unq 1 iso 0 dist 6.20851 5.93953 6.19457 4.73373 5.75085 6.62952 numMergedOcc 0
24 mol 174 unq 0 iso 0 dist 4.77805 5.75017 7.27146 4.01137 5.07761 4.80246 numMergedOcc 0
25 mol 174 unq 1 iso 0 dist 4.77805 6.92858 6.25798 4.01137 5.07761 9.44119 numMergedOcc 0
26 mol 188 unq 0 iso 0 dist 8.94864 9.77899 8.1907 4.2821 6.47305 10.2716 numMergedOcc 0
27 mol 188 unq 1 iso 0 dist 8.94864 9.77899 8.1907 5.23385 6.20426 5.01686 numMergedOcc 0
28 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 15.9432 9.23676 4.92804 numMergedOcc 0
29 mol 204 unq 1 iso 0 dist 8.40718 12.8445 8.41232 15.9432 9.23676 5.04697 numMergedOcc 0
30 mol 205 unq 0 iso 0 dist 7.55333 6.67537 5.86839 4.9739 6.23057 4.79372 numMergedOcc 0
31 mol 226 unq 0 iso 0 dist 7.54614 12.983 8.74399 5.94294 5.3747 7.20864 numMergedOcc 0
32 mol 236 unq 0 iso 0 dist 5.6568 4.24722 7.74348 5.99041 8.88405 8.64384 numMergedOcc 0
33 mol 236 unq 1 iso 0 dist 5.6568 4.24722 7.74348 5.55311 7.13854 9.7977 numMergedOcc 0
34 mol 244 unq 0 iso 0 dist 9.53211 11.4783 7.43391 9.01951 9.97458 16.3 numMergedOcc 0
35 mol 244 unq 1 iso 0 dist 9.53211 4.30655 7.79787 9.01951 9.97458 4.89551 numMergedOcc 0
36 mol 266 unq 0 iso 0 dist 9.33791 8.55958 8.8646 12.6676 9.54381 14.5123 numMergedOcc 0
37 mol 271 unq 0 iso 0 dist 6.75395 5.60228 9.50884 6.15348 7.03848 11.0964 numMergedOcc 0
38 mol 273 unq 0 iso 0 dist 9.80002 5.87385 5.78262 15.8648 9.57659 12.1916 numMergedOcc 0
39 mol 273 unq 1 iso 0 dist 9.80002 5.87385 5.78262 11.6682 7.8424 7.70478 numMergedOcc 0
40 mol 273 unq 2 iso 0 dist 9.80002 10.5975 7.6489 15.8648 9.57659 5.91118 numMergedOcc 0
41 mol 273 unq 3 iso 0 dist 9.80002 10.5975 7.6489 11.6682 7.8424 4.59769 numMergedOcc 0
42 mol 273 unq 4 iso 0 dist 6.73794 3.92089 5.78262 14.6347 9.57659 12.1916 numMergedOcc 0
43 mol 273 unq 5 iso 0 dist 6.73794 3.92089 5.78262 10.6008 7.8424 7.70478 numMergedOcc 0
44 mol 273 unq 6 iso 0 dist 6.73794 12.0094 7.6489 14.6347 9.57659 5.91118 numMergedOcc 0
45 mol 273 unq 7 iso 0 dist 6.73794 12.0094 7.6489 10.6008 7.8424 4.59769 numMergedOcc 0
46 mol 279 unq 0 iso 0 dist 9.56601 12.0471 8.03486 12.9629 9.29922 15.4124 numMergedOcc 0
47 mol 285 unq 0 iso 0 dist 5.76796 11.2606 7.872 4.39355 6.46935 9.75573 numMergedOcc 0
48 mol 285 unq 1 iso 0 dist 5.76796 8.7778 6.32984 4.39355 6.46935 5.78887 numMergedOcc 0
