0 mol 27 unq 0 iso 0 dist 7.96312 15.4799 7.60283 12.1504 7.47886 8.11206 numMergedOcc 0
1 mol 27 unq 1 iso 0 dist 7.67129 14.1714 7.60283 12.4228 7.47886 8.11206 numMergedOcc 0
2 mol 45 unq 0 iso 0 dist 4.5673 11.1279 9.62637 15.9533 13.1805 8.13782 numMergedOcc 0
3 mol 48 unq 0 iso 0 dist 5.60663 4.09894 8.58829 8.45484 4.40229 9.76285 numMergedOcc 0
4 mol 64 unq 0 iso 0 dist 9.23947 5.68492 9.32552 8.61926 6.90629 8.4517 numMergedOcc 0
5 mol 114 unq 0 iso 0 dist 4.86767 10.8755 9.83981 12.0271 9.47219 9.86739 numMergedOcc 0
6 mol 114 unq 1 iso 0 dist 4.86767 10.8755 9.83981 16.6787 14.0577 8.39249 numMergedOcc 0
7 mol 114 unq 2 iso 0 dist 4.86767 10.8755 9.83981 14.5359 10.6837 8.93623 numMergedOcc 0
8 mol 114 unq 3 iso 0 dist 4.86767 4.8628 6.51395 12.0271 9.47219 9.49413 numMergedOcc 0
9 mol 115 unq 0 iso 0 dist 7.81731 5.80806 7.70313 9.99454 11.4407 7.99631 numMergedOcc 0
10 mol 115 unq 1 iso 0 dist 7.81731 5.80806 7.70313 10.2233 5.67953 6.40036 numMergedOcc 0
11 mol 134 unq 0 iso 0 dist 7.50264 5.43722 6.93279 11.4421 12.2578 6.4218 numMergedOcc 0
12 mol 141 unq 0 iso 0 dist 8.46376 6.55605 5.52683 7.82011 6.76437 8.55681 numMergedOcc 0
13 mol 141 unq 1 iso 0 dist 8.46376 6.55605 5.52683 12.1002 5.39904 6.2135 numMergedOcc 0
14 mol 173 unq 0 iso 0 dist 9.31172 8.94838 6.64779 17.2688 15.1434 9.79554 numMergedOcc 0
15 mol 175 unq 0 iso 0 dist 8.79832 10.2578 5.4997 12.5642 4.30489 4.79852 numMergedOcc 0
16 mol 204 unq 0 iso 0 dist 9.23676 5.64245 7.10526 11.354 7.34293 5.89018 numMergedOcc 0
17 mol 239 unq 0 iso 0 dist 9.85821 10.9858 5.88802 10.6477 6.76677 7.25543 numMergedOcc 0
18 mol 254 unq 0 iso 0 dist 7.28781 6.69832 8.94909 8.5372 6.6011 6.03988 numMergedOcc 0
19 mol 254 unq 1 iso 0 dist 7.00841 9.65183 8.94909 11.5241 6.6011 6.03988 numMergedOcc 0
20 mol 280 unq 0 iso 0 dist 9.38952 12.7222 7.82157 12.7826 4.45514 9.69863 numMergedOcc 0
21 mol 280 unq 1 iso 0 dist 7.42529 11.9982 7.82157 10.3884 4.45514 9.69863 numMergedOcc 0
