0 mol 33 unq 0 iso 0 dist 8.41842 10.8869 8.04019 7.41772 5.2746 6.06732 11.8297 7.82815 3.85975 4.92283 numMergedOcc 0
1 mol 33 unq 1 iso 0 dist 8.41842 10.1727 7.44828 7.41772 5.2746 9.54828 11.8297 7.82815 13.4442 4.92283 numMergedOcc 0
2 mol 51 unq 0 iso 0 dist 8.55004 7.24502 8.84151 11.8998 9.42071 10.9244 7.23303 7.73836 5.2887 5.9318 numMergedOcc 0
3 mol 67 unq 0 iso 0 dist 8.34804 10.7182 8.27009 12.6838 6.0478 12.4017 3.77705 6.44825 11.2455 9.4319 numMergedOcc 0
4 mol 67 unq 1 iso 0 dist 8.34804 5.66613 5.80736 12.6838 6.0478 8.30757 3.77705 6.44825 3.83735 9.4319 numMergedOcc 0
5 mol 119 unq 0 iso 0 dist 9.34752 10.0813 5.2184 10.6499 8.84146 6.3404 11.6896 8.93181 3.84072 7.73675 numMergedOcc 0
6 mol 119 unq 1 iso 0 dist 8.41858 4.62337 5.2184 10.2473 8.84146 6.3404 3.9434 8.93181 3.84072 7.73675 numMergedOcc 0
7 mol 139 unq 0 iso 0 dist 5.77343 4.19005 8.78382 4.61769 9.84729 5.53327 4.37138 7.20542 3.82037 7.97876 numMergedOcc 0
8 mol 171 unq 0 iso 0 dist 6.20851 5.93953 6.19457 5.31547 6.81707 5.04086 9.12839 9.67711 10.9652 6.1593 numMergedOcc 0
9 mol 204 unq 0 iso 0 dist 8.40718 12.4189 6.20044 13.4719 9.42862 4.07871 12.5259 5.81438 7.35194 11.0735 numMergedOcc 0
10 mol 204 unq 1 iso 0 dist 8.40718 12.8445 8.41232 13.4719 9.42862 8.05131 12.5259 5.81438 5.87202 11.0735 numMergedOcc 0
11 mol 220 unq 0 iso 0 dist 8.55805 4.74145 6.39087 8.04161 8.31564 8.13432 5.06821 8.63649 4.4227 5.24307 numMergedOcc 0
12 mol 225 unq 0 iso 0 dist 7.47852 5.9027 7.65121 7.01029 8.768 10.8204 11.1052 8.94981 11.8703 6.35462 numMergedOcc 0
13 mol 225 unq 1 iso 0 dist 7.47852 5.9027 7.65121 7.01029 8.768 10.8204 3.60045 5.90986 4.88404 5.94765 numMergedOcc 0
14 mol 225 unq 2 iso 0 dist 7.47852 5.9027 7.65121 7.01029 8.768 10.8204 10.6169 7.50697 13.6563 11.2847 numMergedOcc 0
15 mol 225 unq 3 iso 0 dist 6.22332 4.95393 7.65121 11.2993 8.768 10.8204 13.5289 8.94981 11.8703 6.35462 numMergedOcc 0
16 mol 225 unq 4 iso 0 dist 6.22332 4.95393 7.65121 11.2993 8.768 10.8204 6.40342 5.90986 4.88404 5.94765 numMergedOcc 0
17 mol 225 unq 5 iso 0 dist 6.22332 4.95393 7.65121 11.2993 8.768 10.8204 9.92088 7.50697 13.6563 11.2847 numMergedOcc 0
18 mol 266 unq 0 iso 0 dist 9.33791 8.55958 8.8646 10.7175 9.98606 16.41 3.79641 8.62843 9.70494 10.4051 numMergedOcc 0
