0 mol 44 unq 0 iso 0 dist 9.52676 12.8173 5.81645 9.32021 7.03307 5.75226 7.16036 4.55437 9.34889 7.52117 numMergedOcc 0
1 mol 76 unq 0 iso 0 dist 6.25276 13.6156 9.61367 6.38454 6.66954 8.88275 8.28737 4.3931 5.56964 4.79949 numMergedOcc 0
2 mol 76 unq 1 iso 0 dist 8.7389 6.66677 4.73362 11.5471 9.75201 7.18485 12.2281 6.45686 5.56964 7.27693 numMergedOcc 0
3 mol 76 unq 2 iso 0 dist 8.7389 4.88793 7.3795 11.5471 9.75201 12.7451 12.2281 6.45686 12.885 7.27693 numMergedOcc 0
4 mol 98 unq 0 iso 0 dist 7.43804 10.991 8.48678 12.4403 8.43352 13.9427 10.671 7.06961 15.44 7.26086 numMergedOcc 0
5 mol 100 unq 0 iso 0 dist 8.22984 5.65432 6.36749 6.16378 9.5669 10.3606 5.09688 9.75737 9.56324 7.12017 numMergedOcc 0
6 mol 100 unq 1 iso 0 dist 6.6157 6.03516 6.36749 5.69359 9.5669 10.3606 9.26343 9.75737 9.56324 7.12017 numMergedOcc 0
7 mol 100 unq 2 iso 0 dist 7.37771 7.70606 6.36749 10.1726 9.5669 10.3606 13.8622 9.75737 9.56324 7.12017 numMergedOcc 0
8 mol 119 unq 0 iso 0 dist 9.10479 10.0595 9.57532 8.3604 7.91683 8.70712 15.2767 9.89358 13.63 7.77116 numMergedOcc 0
9 mol 119 unq 1 iso 0 dist 9.10479 12.3404 8.61574 8.3604 7.91683 6.89245 15.2767 9.89358 8.88255 7.77116 numMergedOcc 0
10 mol 141 unq 0 iso 0 dist 9.14007 11.026 8.61279 5.74529 6.94988 11.0112 4.93035 7.42649 12.7314 6.69515 numMergedOcc 0
11 mol 141 unq 1 iso 0 dist 9.14007 11.026 8.61279 5.74529 6.94988 11.0112 9.75558 9.43674 16.928 7.86572 numMergedOcc 0
12 mol 156 unq 0 iso 0 dist 6.97467 13.9009 8.32841 7.94812 7.46845 14.911 9.36561 5.81563 10.6253 5.38091 numMergedOcc 0
13 mol 156 unq 1 iso 0 dist 6.97467 11.549 6.56065 7.94812 7.46845 11.1159 9.36561 5.81563 10.9888 5.38091 numMergedOcc 0
14 mol 162 unq 0 iso 0 dist 9.90113 8.75166 8.24791 9.62474 8.21989 7.98745 13.2827 9.0783 14.4304 8.00506 numMergedOcc 0
15 mol 204 unq 0 iso 0 dist 6.21588 10.0976 6.62013 10.2224 5.91727 6.80235 7.92766 5.86489 11.513 6.85441 numMergedOcc 0
16 mol 227 unq 0 iso 0 dist 8.85568 9.94292 8.91452 5.98086 7.95359 5.98458 6.18486 6.67321 10.8929 5.87815 numMergedOcc 0
