0 mol 4 unq 0 iso 0 dist 8.19615 11.0393 9.16617 14.389 11.0787 5.30385 numMergedOcc 0
1 mol 65 unq 0 iso 0 dist 9.9997 8.24043 6.72639 16.5833 10.2068 8.54555 numMergedOcc 0
2 mol 65 unq 1 iso 0 dist 9.9997 11.819 9.34791 16.5833 10.2068 7.0386 numMergedOcc 0
3 mol 65 unq 2 iso 0 dist 9.38611 4.91428 6.76508 9.1487 5.38234 8.54555 numMergedOcc 0
4 mol 65 unq 3 iso 0 dist 9.38611 7.66509 8.22785 9.1487 5.38234 7.0386 numMergedOcc 0
5 mol 91 unq 0 iso 0 dist 7.47827 3.98211 9.30539 10.8811 14.4094 6.93893 numMergedOcc 0
6 mol 92 unq 0 iso 0 dist 5.89394 10.9738 6.95572 11.0635 5.1767 6.15654 numMergedOcc 0
7 mol 92 unq 1 iso 0 dist 5.89394 10.3703 7.38677 11.0635 5.1767 7.89887 numMergedOcc 0
8 mol 125 unq 0 iso 0 dist 8.38646 6.24872 7.73435 4.81596 6.06241 7.00113 numMergedOcc 0
9 mol 125 unq 1 iso 0 dist 8.38646 10.4668 9.3778 4.81596 6.06241 9.85979 numMergedOcc 0
10 mol 129 unq 0 iso 0 dist 8.14071 9.81728 9.36851 7.48833 5.99695 7.32407 numMergedOcc 0
11 mol 129 unq 1 iso 0 dist 8.14071 6.95825 4.97175 7.48833 5.99695 6.48695 numMergedOcc 0
12 mol 148 unq 0 iso 0 dist 9.7168 6.57631 9.99156 8.60157 5.77745 6.86997 numMergedOcc 0
13 mol 148 unq 1 iso 0 dist 9.7168 8.40891 8.18085 8.60157 5.77745 7.46919 numMergedOcc 0
14 mol 150 unq 0 iso 0 dist 9.61132 6.56068 9.8656 8.59359 5.71213 6.79381 numMergedOcc 0
15 mol 150 unq 1 iso 0 dist 9.61132 8.32178 7.94889 8.59359 5.71213 7.36989 numMergedOcc 0
16 mol 198 unq 0 iso 0 dist 5.80867 6.42799 6.34616 10.1205 4.81051 8.28295 numMergedOcc 0
17 mol 198 unq 1 iso 0 dist 9.4363 10.4394 6.34616 13.0603 4.81051 8.28295 numMergedOcc 0
18 mol 204 unq 0 iso 0 dist 7.92766 15.254 9.68728 22.629 18.5654 9.46973 numMergedOcc 0
19 mol 205 unq 0 iso 0 dist 7.36642 10.098 6.03688 11.2849 4.25942 5.63477 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.93637 12.5597 6.59716 11.0559 10.6943 7.46122 numMergedOcc 0
