0 mol 24 unq 0 iso 0 dist 5.42968 9.67461 8.23075 6.44893 4.21283 4.93188 14.0586 10.551 12.3067 9.24958 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 5.94343 9.67461 4.7841 6.44893 4.97191 4.93188 14.0586 14.1707 12.3067 9.24958 numMergedOcc 0
2 mol 43 unq 0 iso 0 dist 9.72346 5.5249 7.39848 13.1618 6.59887 9.93832 10.4413 11.4251 8.13395 8.60739 numMergedOcc 0
3 mol 43 unq 1 iso 0 dist 7.45173 5.46715 7.39848 11.7519 6.59887 9.93832 12.902 11.4251 8.13395 8.60739 numMergedOcc 0
4 mol 73 unq 0 iso 0 dist 5.98764 5.53115 7.37171 12.2678 12.6176 8.85586 10.489 8.62079 8.07446 5.16364 numMergedOcc 0
5 mol 73 unq 1 iso 0 dist 5.98764 10.489 8.62079 12.2678 12.6176 5.16364 5.53115 7.37171 8.07446 8.85586 numMergedOcc 0
6 mol 112 unq 0 iso 0 dist 8.83567 4.38646 6.87434 9.73759 4.25001 6.43433 6.3787 11.5809 5.0812 9.92283 numMergedOcc 0
7 mol 112 unq 1 iso 0 dist 6.79584 4.9102 6.87434 5.9819 4.25001 6.43433 6.84034 11.5809 5.0812 9.92283 numMergedOcc 0
8 mol 124 unq 0 iso 0 dist 6.67979 8.29712 8.57739 5.93793 5.46636 8.80896 8.07661 11.4882 5.59807 8.97264 numMergedOcc 0
9 mol 194 unq 0 iso 0 dist 9.32969 10.5763 9.52922 14.0041 7.82899 6.26839 14.1724 11.2599 8.0179 8.12346 numMergedOcc 0
10 mol 194 unq 1 iso 0 dist 9.32969 10.5763 9.52922 14.0041 7.82899 6.26839 22.5849 14.7152 14.6506 8.83356 numMergedOcc 0
11 mol 194 unq 2 iso 0 dist 9.32969 10.5763 9.52922 14.0041 7.82899 6.26839 18.06 14.7929 8.48054 8.2654 numMergedOcc 0
12 mol 195 unq 0 iso 0 dist 9.33055 4.98231 6.59544 8.22643 11.5264 6.60567 13.577 16.1245 10.7531 7.62942 numMergedOcc 0
13 mol 198 unq 0 iso 0 dist 7.25217 7.74458 7.97894 10.5518 12.4245 8.10985 16.2839 19.0958 11.6493 9.18635 numMergedOcc 0
14 mol 198 unq 1 iso 0 dist 9.84293 7.74458 8.08471 10.5518 5.45278 8.10985 16.2839 14.037 11.6493 9.18635 numMergedOcc 0
15 mol 198 unq 2 iso 0 dist 5.84588 5.21925 8.08471 5.33789 5.45278 8.10985 9.81415 14.037 11.6493 9.18635 numMergedOcc 0
16 mol 205 unq 0 iso 0 dist 4.72209 4.84308 7.13783 10.4442 12.0319 5.60393 9.41301 13.3708 7.38516 8.44861 numMergedOcc 0
17 mol 214 unq 0 iso 0 dist 6.26596 11.2069 9.06459 16.5763 13.3401 8.46327 21.1272 19.3882 12.7897 7.05523 numMergedOcc 0
18 mol 248 unq 0 iso 0 dist 8.28099 5.8982 7.79063 9.97871 4.91893 6.17052 6.17735 9.64778 5.55137 9.77666 numMergedOcc 0
19 mol 248 unq 1 iso 0 dist 8.28099 6.17735 9.64778 9.97871 4.91893 9.77666 5.8982 7.79063 5.55137 6.17052 numMergedOcc 0
20 mol 248 unq 2 iso 0 dist 5.76741 7.63032 7.79063 9.08064 4.91893 6.17052 6.42334 9.64778 5.55137 9.77666 numMergedOcc 0
21 mol 248 unq 3 iso 0 dist 5.76741 6.42334 9.64778 9.08064 4.91893 9.77666 7.63032 7.79063 5.55137 6.17052 numMergedOcc 0
22 mol 258 unq 0 iso 0 dist 8.82533 12.8434 5.4557 17.7231 10.6472 8.15467 15.9612 9.62202 4.26007 9.1925 numMergedOcc 0
23 mol 261 unq 0 iso 0 dist 8.55479 6.39263 8.24356 5.67349 11.1232 8.60026 4.63237 12.3855 7.00201 5.26434 numMergedOcc 0
