0 mol 10 unq 0 iso 0 dist 9.24292 11.4707 9.1125 7.2786 8.03458 4.55975 5.02729 9.03951 14.7966 11.04 numMergedOcc 0
1 mol 10 unq 1 iso 0 dist 9.24292 11.4707 9.1125 8.58855 8.2106 11.8229 5.02729 9.03951 14.7966 9.13852 numMergedOcc 0
2 mol 12 unq 0 iso 0 dist 7.68446 13.0936 7.44542 13.7296 8.15864 4.60834 5.92892 8.18296 10.9602 10.1802 numMergedOcc 0
3 mol 12 unq 1 iso 0 dist 7.68446 13.0936 7.44542 13.7296 8.15864 4.60834 4.80294 7.99569 10.4006 11.8349 numMergedOcc 0
4 mol 29 unq 0 iso 0 dist 9.27422 8.33913 6.73481 8.44709 7.50258 9.50033 5.22384 9.19374 7.7212 5.07025 numMergedOcc 0
5 mol 62 unq 0 iso 0 dist 6.09042 8.33049 9.65672 11.2147 9.11512 14.3275 8.86056 9.79863 13.5485 5.05733 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 7.40582 3.97579 5.37819 15.2733 8.15664 12.1737 16.1172 8.96747 13.962 4.92054 numMergedOcc 0
7 mol 102 unq 0 iso 0 dist 7.90927 5.57291 9.22651 11.8843 8.03869 12.1115 12.5434 8.62829 10.9578 3.99988 numMergedOcc 0
8 mol 102 unq 1 iso 0 dist 7.90927 6.91222 5.32892 11.8843 8.03869 7.26176 12.5434 8.62829 6.21757 3.99988 numMergedOcc 0
9 mol 124 unq 0 iso 0 dist 8.55572 4.91808 9.7589 5.69896 7.18976 7.73112 8.13727 9.18949 11.2067 11.7124 numMergedOcc 0
10 mol 165 unq 0 iso 0 dist 7.22838 9.87383 9.8446 5.97663 6.85551 4.08841 6.77685 5.79029 9.96973 6.57529 numMergedOcc 0
11 mol 188 unq 0 iso 0 dist 6.07498 6.34135 8.94864 6.28041 8.1907 9.77899 4.95821 6.47305 4.2821 10.2716 numMergedOcc 0
12 mol 188 unq 1 iso 0 dist 6.07498 6.34135 8.94864 6.28041 8.1907 9.77899 4.75808 6.20426 5.23385 5.01686 numMergedOcc 0
13 mol 204 unq 0 iso 0 dist 6.58174 10.0944 8.40718 10.9794 6.20044 12.4189 11.4894 9.23676 15.9432 4.92804 numMergedOcc 0
14 mol 204 unq 1 iso 0 dist 6.58174 10.0944 8.40718 9.00243 8.41232 12.8445 11.4894 9.23676 15.9432 5.04697 numMergedOcc 0
15 mol 205 unq 0 iso 0 dist 9.54443 8.10536 7.55333 12.5471 5.86839 6.67537 8.78075 6.23057 4.9739 4.79372 numMergedOcc 0
16 mol 226 unq 0 iso 0 dist 6.3687 11.0907 7.54614 4.52889 8.74399 12.983 6.62409 5.3747 5.94294 7.20864 numMergedOcc 0
17 mol 236 unq 0 iso 0 dist 5.46484 5.05085 5.6568 5.81446 7.74348 4.24722 5.69026 8.88405 5.99041 8.64384 numMergedOcc 0
18 mol 236 unq 1 iso 0 dist 5.46484 5.05085 5.6568 5.81446 7.74348 4.24722 8.22446 7.13854 5.55311 9.7977 numMergedOcc 0
19 mol 236 unq 2 iso 0 dist 8.80671 10.8749 5.6568 14.8289 7.74348 4.24722 11.4601 8.88405 5.99041 8.64384 numMergedOcc 0
20 mol 236 unq 3 iso 0 dist 8.80671 10.8749 5.6568 14.8289 7.74348 4.24722 6.4298 7.13854 5.55311 9.7977 numMergedOcc 0
21 mol 266 unq 0 iso 0 dist 9.46926 5.43882 9.33791 4.95934 8.8646 8.55958 15.6565 9.54381 12.6676 14.5123 numMergedOcc 0
22 mol 273 unq 0 iso 0 dist 7.29081 15.0113 9.80002 12.2394 5.78262 5.87385 6.85615 9.57659 15.8648 12.1916 numMergedOcc 0
23 mol 273 unq 1 iso 0 dist 7.29081 15.0113 9.80002 12.2394 5.78262 5.87385 9.64596 7.8424 11.6682 7.70478 numMergedOcc 0
24 mol 273 unq 2 iso 0 dist 7.29081 15.0113 9.80002 7.5139 7.6489 10.5975 6.85615 9.57659 15.8648 5.91118 numMergedOcc 0
25 mol 273 unq 3 iso 0 dist 7.29081 15.0113 9.80002 7.5139 7.6489 10.5975 9.64596 7.8424 11.6682 4.59769 numMergedOcc 0
26 mol 273 unq 4 iso 0 dist 7.29081 13.9951 6.73794 12.2394 5.78262 3.92089 6.85615 9.57659 14.6347 12.1916 numMergedOcc 0
27 mol 273 unq 5 iso 0 dist 7.29081 13.9951 6.73794 12.2394 5.78262 3.92089 9.64596 7.8424 10.6008 7.70478 numMergedOcc 0
28 mol 273 unq 6 iso 0 dist 7.29081 13.9951 6.73794 7.5139 7.6489 12.0094 6.85615 9.57659 14.6347 5.91118 numMergedOcc 0
29 mol 273 unq 7 iso 0 dist 7.29081 13.9951 6.73794 7.5139 7.6489 12.0094 9.64596 7.8424 10.6008 4.59769 numMergedOcc 0
30 mol 285 unq 0 iso 0 dist 4.49395 9.78456 5.76796 9.47966 7.872 11.2606 9.67478 6.46935 4.39355 9.75573 numMergedOcc 0
31 mol 285 unq 1 iso 0 dist 4.49395 9.78456 5.76796 6.49869 6.32984 8.7778 9.67478 6.46935 4.39355 5.78887 numMergedOcc 0
