0 mol 2 unq 0 iso 0 dist 9.33282 5.5745 9.65859 8.5893 16.8591 8.75089 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.33282 5.5745 9.65859 8.29974 13.8955 8.39246 numMergedOcc 0
2 mol 91 unq 0 iso 0 dist 9.83906 8.86252 4.70362 8.6176 7.75267 7.03963 numMergedOcc 0
3 mol 108 unq 0 iso 0 dist 9.82453 8.77983 5.3016 9.87572 4.68231 7.21429 numMergedOcc 0
4 mol 108 unq 1 iso 0 dist 9.82453 8.77983 5.3016 7.05541 8.76057 4.11354 numMergedOcc 0
5 mol 108 unq 2 iso 0 dist 8.79452 8.77983 5.79574 9.87572 12.2247 7.21429 numMergedOcc 0
6 mol 108 unq 3 iso 0 dist 8.79452 8.77983 5.79574 7.05541 4.68206 4.11354 numMergedOcc 0
7 mol 110 unq 0 iso 0 dist 5.43052 8.181 9.01856 4.78944 7.33204 3.99091 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 8.39253 7.91337 9.09785 8.04669 7.44305 12.378 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 8.39253 7.91337 9.09785 7.46162 12.5602 12.5595 numMergedOcc 0
10 mol 119 unq 2 iso 0 dist 8.39253 6.40546 11.6714 8.04669 7.44305 8.87718 numMergedOcc 0
11 mol 119 unq 3 iso 0 dist 8.39253 6.40546 11.6714 7.46162 12.5602 4.72999 numMergedOcc 0
12 mol 119 unq 4 iso 0 dist 9.44788 8.82535 7.64443 6.29634 12.8122 7.64945 numMergedOcc 0
13 mol 119 unq 5 iso 0 dist 9.44788 6.18763 6.83988 6.29634 12.8122 7.36889 numMergedOcc 0
14 mol 119 unq 6 iso 0 dist 9.44788 8.44385 14.8957 6.29634 12.8122 4.55137 numMergedOcc 0
15 mol 119 unq 7 iso 0 dist 9.44788 5.63005 12.1168 6.29634 12.8122 6.42493 numMergedOcc 0
16 mol 133 unq 0 iso 0 dist 6.23615 9.50322 14.5344 6.31523 5.57013 10.7358 numMergedOcc 0
17 mol 133 unq 1 iso 0 dist 6.23615 5.82404 7.96098 6.31523 5.57013 5.58281 numMergedOcc 0
18 mol 139 unq 0 iso 0 dist 8.27507 6.34417 10.3273 9.15824 10.9275 7.93652 numMergedOcc 0
19 mol 162 unq 0 iso 0 dist 8.77869 8.25167 6.71523 8.71322 7.40143 7.61719 numMergedOcc 0
20 mol 186 unq 0 iso 0 dist 9.71223 8.96988 9.653 9.33272 13.0654 5.88779 numMergedOcc 0
21 mol 186 unq 1 iso 0 dist 9.86348 7.80299 5.85613 9.21553 6.00812 5.04574 numMergedOcc 0
22 mol 225 unq 0 iso 0 dist 7.0795 9.86371 9.65126 9.28645 9.12029 4.04791 numMergedOcc 0
23 mol 225 unq 1 iso 0 dist 7.0795 9.86371 9.65126 9.80348 4.79336 11.4868 numMergedOcc 0
24 mol 225 unq 2 iso 0 dist 9.76251 9.13552 9.65126 8.9785 9.12029 4.04791 numMergedOcc 0
25 mol 249 unq 0 iso 0 dist 7.279 6.37672 9.82483 5.68936 9.43294 5.40456 numMergedOcc 0
26 mol 257 unq 0 iso 0 dist 8.9297 9.83721 13.2456 9.91856 7.44861 8.55247 numMergedOcc 0
27 mol 259 unq 0 iso 0 dist 5.45793 5.90645 6.59107 4.98888 3.85191 4.51538 numMergedOcc 0
28 mol 266 unq 0 iso 0 dist 3.90274 8.12852 5.73592 9.58747 8.62775 10.4209 numMergedOcc 0
29 mol 266 unq 1 iso 0 dist 3.90274 8.12852 5.73592 7.50074 9.68248 12.6608 numMergedOcc 0
30 mol 266 unq 2 iso 0 dist 7.49024 8.12852 10.0067 9.58747 8.9043 10.4209 numMergedOcc 0
31 mol 266 unq 3 iso 0 dist 7.49024 8.12852 10.0067 7.50074 5.36855 12.6608 numMergedOcc 0
32 mol 277 unq 0 iso 0 dist 8.00159 8.11838 5.17381 5.56721 3.58827 6.2159 numMergedOcc 0
33 mol 277 unq 1 iso 0 dist 8.00159 7.88897 5.89928 5.56721 3.58827 4.39241 numMergedOcc 0
34 mol 292 unq 0 iso 0 dist 8.92332 5.75596 13.9754 9.61379 17.363 5.56576 numMergedOcc 0
35 mol 292 unq 1 iso 0 dist 8.92332 9.11438 10.1063 9.61379 17.363 11.0334 numMergedOcc 0
36 mol 292 unq 2 iso 0 dist 8.92332 8.37867 5.4258 9.61379 17.363 14.0848 numMergedOcc 0
