0 mol 44 unq 0 iso 0 dist 9.53901 15.0516 8.6578 14.2564 6.07691 7.52117 15.7104 6.30672 7.03307 4.55437 numMergedOcc 0
1 mol 44 unq 1 iso 0 dist 9.53901 15.0516 8.6578 14.2564 6.07691 7.52117 19.5067 10.7753 7.25707 6.16231 numMergedOcc 0
2 mol 131 unq 0 iso 0 dist 7.8034 11.8905 7.5344 9.33945 8.25445 8.86329 17.5551 11.4585 8.92828 10.3369 numMergedOcc 0
3 mol 131 unq 1 iso 0 dist 7.8034 11.8905 7.5344 9.33945 8.25445 8.86329 12.7271 6.14427 5.56627 7.7567 numMergedOcc 0
4 mol 131 unq 2 iso 0 dist 7.8034 11.8905 7.5344 14.2573 11.8349 8.71039 17.5551 11.4585 8.92828 7.92788 numMergedOcc 0
5 mol 131 unq 3 iso 0 dist 7.8034 11.8905 7.5344 14.2573 11.8349 8.71039 12.7271 6.14427 5.56627 8.23791 numMergedOcc 0
6 mol 156 unq 0 iso 0 dist 9.15574 15.5484 8.86912 14.2325 7.46358 5.38091 18.8299 10.2977 7.46845 5.81563 numMergedOcc 0
7 mol 175 unq 0 iso 0 dist 8.39634 6.49088 5.32236 13.5463 5.96451 8.0154 11.5476 5.86269 8.05247 6.29885 numMergedOcc 0
8 mol 175 unq 1 iso 0 dist 8.39634 6.49088 5.32236 13.5463 5.96451 8.0154 15.2004 10.5222 9.71028 7.27408 numMergedOcc 0
9 mol 186 unq 0 iso 0 dist 8.40343 8.71876 9.05979 13.9001 7.10544 9.56197 16.0882 13.7214 7.46987 9.74148 numMergedOcc 0
10 mol 186 unq 1 iso 0 dist 8.40343 8.71876 9.05979 13.7557 10.591 7.24795 16.0882 13.7214 7.46987 7.30024 numMergedOcc 0
11 mol 186 unq 2 iso 0 dist 8.40343 8.71876 9.05979 10.812 8.86145 8.64409 16.0882 13.7214 7.46987 11.6919 numMergedOcc 0
12 mol 186 unq 3 iso 0 dist 8.40343 8.71876 9.05979 14.5593 10.8899 7.60202 16.0882 13.7214 7.46987 5.3967 numMergedOcc 0
13 mol 194 unq 0 iso 0 dist 5.69866 10.735 9.13708 9.68918 5.03763 6.26839 14.2824 13.9769 5.68348 11.6598 numMergedOcc 0
14 mol 194 unq 1 iso 0 dist 5.69866 10.735 9.13708 16.4654 12.8318 8.12346 14.2824 13.9769 5.68348 12.0887 numMergedOcc 0
15 mol 194 unq 2 iso 0 dist 5.69866 10.735 9.13708 15.4498 16.5287 8.83356 14.2824 13.9769 5.68348 7.11753 numMergedOcc 0
16 mol 194 unq 3 iso 0 dist 5.69866 10.735 9.13708 13.4844 11.4735 8.2654 14.2824 13.9769 5.68348 12.8755 numMergedOcc 0
17 mol 210 unq 0 iso 0 dist 9.26518 5.20757 8.53457 12.598 13.2569 7.63018 8.78652 11.3555 5.57779 5.85636 numMergedOcc 0
18 mol 210 unq 1 iso 0 dist 9.26518 5.20757 8.53457 12.598 13.2569 7.63018 9.01437 4.94588 7.05649 10.0337 numMergedOcc 0
19 mol 210 unq 2 iso 0 dist 9.26518 5.20757 8.53457 12.598 13.2569 7.63018 10.9072 6.61563 6.78579 7.67559 numMergedOcc 0
20 mol 220 unq 0 iso 0 dist 8.58709 6.71715 6.50846 6.21273 4.90657 5.45036 7.58118 4.39102 5.37796 7.11498 numMergedOcc 0
21 mol 248 unq 0 iso 0 dist 7.83878 10.4208 7.21518 12.7933 6.42363 6.77954 10.1331 5.81577 7.97135 4.30004 numMergedOcc 0
22 mol 252 unq 0 iso 0 dist 8.04265 11.199 6.88874 13.0796 5.26867 6.86945 11.7647 5.53685 7.39391 6.35641 numMergedOcc 0
23 mol 252 unq 1 iso 0 dist 9.42193 9.71846 6.88874 13.4304 5.26867 6.86945 9.1191 5.53685 7.39391 6.35641 numMergedOcc 0
