0 mol 21 unq 0 iso 0 dist 4.82549 8.09082 4.20216 10.0518 9.35562 7.05407 numMergedOcc 0
1 mol 34 unq 0 iso 0 dist 5.73257 5.39587 8.82586 10.0272 11.2173 7.01952 numMergedOcc 0
2 mol 34 unq 1 iso 0 dist 5.73257 5.39587 8.82586 6.65242 8.63635 4.58552 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 9.46609 6.72469 5.6999 3.62638 7.95451 5.7369 numMergedOcc 0
4 mol 115 unq 0 iso 0 dist 5.43229 8.54304 5.78043 9.02908 8.0168 7.65564 numMergedOcc 0
5 mol 122 unq 0 iso 0 dist 9.55337 6.91978 6.08654 6.16219 14.3788 9.47049 numMergedOcc 0
6 mol 134 unq 0 iso 0 dist 5.98435 7.96353 13.6552 6.67639 10.3419 8.14226 numMergedOcc 0
7 mol 134 unq 1 iso 0 dist 5.98435 7.96353 13.6552 4.4987 10.0977 5.78982 numMergedOcc 0
8 mol 134 unq 2 iso 0 dist 8.80672 7.96353 4.44936 6.67639 5.73203 8.14226 numMergedOcc 0
9 mol 134 unq 3 iso 0 dist 8.80672 7.96353 4.44936 4.4987 6.57379 5.78982 numMergedOcc 0
10 mol 143 unq 0 iso 0 dist 7.4014 9.11314 5.43382 15.2752 14.6265 9.29944 numMergedOcc 0
11 mol 184 unq 0 iso 0 dist 7.09847 8.09403 11.6883 8.04827 13.0813 4.61596 numMergedOcc 0
12 mol 206 unq 0 iso 0 dist 8.65687 9.36144 3.99908 10.9033 13.1287 9.95026 numMergedOcc 0
13 mol 206 unq 1 iso 0 dist 8.65687 9.36144 3.99908 11.622 12.3695 9.09594 numMergedOcc 0
14 mol 214 unq 0 iso 0 dist 8.20906 6.28826 7.451 10.996 13.9735 8.25329 numMergedOcc 0
15 mol 214 unq 1 iso 0 dist 8.20906 6.28826 7.451 5.055 9.58372 4.85332 numMergedOcc 0
16 mol 233 unq 0 iso 0 dist 5.34745 6.0751 6.80416 6.49444 8.24424 9.01338 numMergedOcc 0
17 mol 243 unq 0 iso 0 dist 7.96438 6.56525 5.45786 9.67191 12.8673 8.20943 numMergedOcc 0
