0 mol 32 unq 0 iso 0 dist 7.98862 11.0811 6.19304 4.55576 7.99969 11.7888 numMergedOcc 0
1 mol 32 unq 1 iso 0 dist 5.78878 8.34132 6.19304 7.58171 7.99969 11.7888 numMergedOcc 0
2 mol 32 unq 2 iso 0 dist 7.98414 6.40044 6.19304 10.2135 7.99969 11.7888 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 7.63526 9.84442 5.67362 11.9454 9.25641 5.46309 numMergedOcc 0
4 mol 67 unq 0 iso 0 dist 5.86118 10.281 9.67641 6.24947 9.49144 7.70042 numMergedOcc 0
5 mol 68 unq 0 iso 0 dist 9.9724 9.20065 8.38855 9.93676 7.26024 8.36943 numMergedOcc 0
6 mol 96 unq 0 iso 0 dist 9.46918 16.3002 9.87414 12.4028 8.39111 6.21391 numMergedOcc 0
7 mol 96 unq 1 iso 0 dist 9.46918 15.8126 8.9536 12.4028 8.39111 4.86104 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 5.38064 5.55973 7.1754 10.3471 7.80975 7.77542 numMergedOcc 0
9 mol 100 unq 1 iso 0 dist 5.38064 5.55973 7.1754 7.25847 7.10378 11.0907 numMergedOcc 0
10 mol 168 unq 0 iso 0 dist 8.80059 12.3158 8.30857 14.4671 7.44629 7.26802 numMergedOcc 0
11 mol 180 unq 0 iso 0 dist 8.66298 9.57014 9.59587 5.31 5.85827 6.93557 numMergedOcc 0
12 mol 181 unq 0 iso 0 dist 9.91457 5.07937 5.25309 11.9245 5.94469 7.07865 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 7.27978 14.008 9.819 5.69334 8.65535 15.6354 numMergedOcc 0
14 mol 212 unq 0 iso 0 dist 8.06858 5.09611 8.36471 10.1617 9.74144 9.83647 numMergedOcc 0
15 mol 238 unq 0 iso 0 dist 6.38654 6.51571 8.52162 6.89249 8.94014 11.6549 numMergedOcc 0
16 mol 238 unq 1 iso 0 dist 6.38654 6.51571 8.52162 9.42382 7.02333 12.9109 numMergedOcc 0
17 mol 238 unq 2 iso 0 dist 6.38654 6.51571 8.52162 11.5722 8.67864 12.3128 numMergedOcc 0
18 mol 238 unq 3 iso 0 dist 9.77185 16.6839 8.52162 9.71057 8.94014 11.6549 numMergedOcc 0
19 mol 238 unq 4 iso 0 dist 9.77185 16.6839 8.52162 4.39154 7.02333 12.9109 numMergedOcc 0
20 mol 238 unq 5 iso 0 dist 9.77185 16.6839 8.52162 6.77956 8.67864 12.3128 numMergedOcc 0
21 mol 239 unq 0 iso 0 dist 8.05132 4.82113 6.47859 6.94683 9.01021 9.78463 numMergedOcc 0
22 mol 271 unq 0 iso 0 dist 8.97962 16.2385 8.7861 10.8708 8.98576 13.7565 numMergedOcc 0
23 mol 271 unq 1 iso 0 dist 8.97962 16.2385 8.7861 12.9071 8.92636 8.68222 numMergedOcc 0
