0 mol 25 unq 0 iso 0 dist 8.40051 15.9662 7.92503 12.1406 4.96681 8.00738 numMergedOcc 0
1 mol 25 unq 1 iso 0 dist 7.63928 9.78075 6.85556 18.8151 16.5113 9.86224 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 5.97635 11.5332 7.21717 8.34361 5.65405 8.60653 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.22002 12.7481 9.25641 11.5166 5.46309 5.67362 numMergedOcc 0
4 mol 92 unq 0 iso 0 dist 8.4545 4.1125 5.9465 4.98783 11.5195 6.48163 numMergedOcc 0
5 mol 92 unq 1 iso 0 dist 7.01176 4.1125 6.97962 4.98783 11.5567 6.48163 numMergedOcc 0
6 mol 119 unq 0 iso 0 dist 6.18763 6.49348 8.00003 13.149 11.6494 9.21645 numMergedOcc 0
7 mol 119 unq 1 iso 0 dist 5.63005 13.1254 9.23858 17.7147 12.1367 9.57532 numMergedOcc 0
8 mol 119 unq 2 iso 0 dist 5.63005 13.1254 9.23858 15.5348 10.5726 8.61574 numMergedOcc 0
9 mol 131 unq 0 iso 0 dist 7.81337 4.34786 8.70296 7.46875 5.29825 5.43662 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 9.50322 16.7326 9.22232 18.7688 10.4303 9.93309 numMergedOcc 0
11 mol 180 unq 0 iso 0 dist 9.88732 10.6052 5.85827 15.8981 6.93557 9.59587 numMergedOcc 0
12 mol 180 unq 1 iso 0 dist 5.77949 5.62869 5.85827 11.2584 6.93557 9.59587 numMergedOcc 0
13 mol 180 unq 2 iso 0 dist 8.68403 8.39191 5.85827 12.4704 6.93557 9.59587 numMergedOcc 0
14 mol 180 unq 3 iso 0 dist 5.80441 4.11186 5.85827 9.19555 6.93557 9.59587 numMergedOcc 0
15 mol 181 unq 0 iso 0 dist 9.84952 6.78739 5.94469 9.14877 7.07865 5.25309 numMergedOcc 0
16 mol 212 unq 0 iso 0 dist 5.87223 9.39384 9.74144 12.6164 9.83647 8.36471 numMergedOcc 0
17 mol 212 unq 1 iso 0 dist 8.062 4.69067 9.74144 9.74234 9.83647 8.36471 numMergedOcc 0
18 mol 212 unq 2 iso 0 dist 8.70011 5.37854 9.74144 11.5925 9.83647 8.36471 numMergedOcc 0
19 mol 227 unq 0 iso 0 dist 9.07872 4.21811 6.02296 10.5265 7.00512 9.90065 numMergedOcc 0
20 mol 238 unq 0 iso 0 dist 9.32451 16.2294 8.94014 16.0346 11.6549 8.52162 numMergedOcc 0
21 mol 244 unq 0 iso 0 dist 7.65388 4.38246 5.50492 8.19381 8.82711 5.60146 numMergedOcc 0
22 mol 244 unq 1 iso 0 dist 7.65388 4.38246 5.50492 7.35657 14.6599 9.80249 numMergedOcc 0
23 mol 292 unq 0 iso 0 dist 9.20416 11.6878 7.07965 14.5129 5.81799 6.68183 numMergedOcc 0
24 mol 292 unq 1 iso 0 dist 7.53641 8.46139 7.07965 10.7581 5.81799 6.68183 numMergedOcc 0
