0 mol 11 unq 0 iso 0 dist 5.95165 4.46394 5.96346 12.1386 8.05213 8.73067 6.50001 4.10106 6.859 9.58844 numMergedOcc 0
1 mol 25 unq 0 iso 0 dist 7.63928 9.78075 6.85556 12.5173 5.09159 9.62401 12.3312 5.86705 6.29797 6.25564 numMergedOcc 0
2 mol 41 unq 0 iso 0 dist 5.41493 4.08339 8.51663 6.0961 5.0364 6.42834 9.74532 13.4019 6.21128 9.95354 numMergedOcc 0
3 mol 61 unq 0 iso 0 dist 9.22002 12.7481 9.25641 11.535 5.94559 7.46994 15.9231 8.89519 8.60069 4.50442 numMergedOcc 0
4 mol 143 unq 0 iso 0 dist 8.30654 11.6678 7.78652 16.9062 10.0989 6.97487 12.027 4.78563 5.06564 5.43382 numMergedOcc 0
5 mol 143 unq 1 iso 0 dist 8.30654 11.6678 7.78652 11.674 6.01455 6.46089 12.027 4.78563 5.06564 4.38322 numMergedOcc 0
6 mol 155 unq 0 iso 0 dist 4.44292 5.45915 6.53347 12.2882 9.36596 9.0529 7.25009 7.10286 9.24038 12.0485 numMergedOcc 0
7 mol 155 unq 1 iso 0 dist 4.44292 5.45915 6.53347 7.62575 5.40375 7.55196 7.25009 7.10286 9.24038 4.48516 numMergedOcc 0
8 mol 159 unq 0 iso 0 dist 7.97007 6.69743 8.4858 8.91189 4.57561 5.9032 10.0117 4.48323 9.35202 4.27525 numMergedOcc 0
9 mol 159 unq 1 iso 0 dist 7.97007 6.69743 8.4858 8.94941 6.49376 8.52082 10.0117 4.48323 9.35202 10.5255 numMergedOcc 0
10 mol 181 unq 0 iso 0 dist 9.84952 6.78739 5.94469 6.17129 6.7991 7.05653 11.2091 5.42158 8.06308 5.82984 numMergedOcc 0
11 mol 232 unq 0 iso 0 dist 7.70279 6.36084 8.50102 9.61294 8.78722 7.17337 12.6048 9.74344 9.9183 14.5281 numMergedOcc 0
12 mol 232 unq 1 iso 0 dist 9.29752 6.36084 9.40808 9.61294 13.5597 7.17337 12.6048 5.10213 9.9183 14.5281 numMergedOcc 0
13 mol 234 unq 0 iso 0 dist 7.46434 11.1213 7.32499 10.1461 5.9221 7.43663 12.6209 13.1872 7.77911 11.8229 numMergedOcc 0
14 mol 234 unq 1 iso 0 dist 7.46434 11.1213 7.32499 15.1226 13.2297 7.94068 12.6209 13.1872 7.77911 6.45373 numMergedOcc 0
15 mol 234 unq 2 iso 0 dist 7.50424 10.6488 7.32499 10.6033 5.9221 7.43663 18.3012 13.1872 7.77911 11.8229 numMergedOcc 0
16 mol 234 unq 3 iso 0 dist 7.50424 10.6488 7.32499 17.1235 13.2297 7.94068 18.3012 13.1872 7.77911 6.45373 numMergedOcc 0
