0 mol 19 unq 0 iso 0 dist 8.82056 4.07239 6.00439 9.4457 6.42867 5.82366 5.8625 9.78944 5.14627 6.41575 numMergedOcc 0
1 mol 19 unq 1 iso 0 dist 8.82056 4.07239 6.00439 9.4457 6.42867 5.82366 7.30326 9.56313 4.69858 6.41423 numMergedOcc 0
2 mol 54 unq 0 iso 0 dist 6.13476 6.2425 5.02241 6.54052 4.29856 6.30987 10.0565 6.83299 5.06052 6.14538 numMergedOcc 0
3 mol 73 unq 0 iso 0 dist 6.04163 11.4785 5.64598 13.5801 8.44406 7.10439 16.3165 11.4799 7.41074 9.24757 numMergedOcc 0
4 mol 73 unq 1 iso 0 dist 8.88953 12.0993 5.64598 16.9935 8.44406 7.10439 18.3711 11.4799 7.41074 9.24757 numMergedOcc 0
5 mol 133 unq 0 iso 0 dist 8.94909 11.1266 7.92688 12.3907 5.92062 6.51868 8.76089 7.11802 4.68409 9.22661 numMergedOcc 0
6 mol 133 unq 1 iso 0 dist 8.94909 11.1266 7.92688 14.2267 6.61891 7.34698 8.76089 7.11802 4.68409 7.56378 numMergedOcc 0
7 mol 156 unq 0 iso 0 dist 9.25604 5.5355 6.88137 11.8537 6.14767 7.30946 8.96288 10.2717 5.07967 7.30357 numMergedOcc 0
8 mol 181 unq 0 iso 0 dist 7.15963 9.09192 6.94688 12.8705 6.6251 9.06217 14.1493 9.1374 6.25083 6.2479 numMergedOcc 0
9 mol 181 unq 1 iso 0 dist 7.15963 9.09192 6.94688 12.8705 6.6251 9.06217 16.7212 9.94371 10.5753 6.22122 numMergedOcc 0
10 mol 181 unq 2 iso 0 dist 7.15963 9.09192 6.94688 12.8705 6.6251 9.06217 6.73556 5.98885 5.86342 7.99195 numMergedOcc 0
11 mol 181 unq 3 iso 0 dist 7.15963 12.1848 6.71012 12.8705 6.6251 7.13252 14.1493 9.1374 4.77278 6.2479 numMergedOcc 0
12 mol 181 unq 4 iso 0 dist 7.15963 12.1848 6.71012 12.8705 6.6251 7.13252 16.7212 9.94371 5.88819 6.22122 numMergedOcc 0
13 mol 181 unq 5 iso 0 dist 7.15963 12.1848 6.71012 12.8705 6.6251 7.13252 6.73556 5.98885 9.14057 7.99195 numMergedOcc 0
14 mol 181 unq 6 iso 0 dist 6.43406 4.56814 4.93785 9.0234 7.77758 7.05653 10.9813 7.81386 6.7991 5.94469 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 6.44896 6.15396 8.36822 11.3948 8.49529 7.33225 4.94984 5.59424 5.71262 8.77999 numMergedOcc 0
16 mol 234 unq 0 iso 0 dist 8.9413 6.40261 9.5707 12.7701 10.0059 7.43663 10.2992 10.3625 5.9221 7.32499 numMergedOcc 0
17 mol 234 unq 1 iso 0 dist 4.91961 12.2893 9.5707 9.33455 10.0059 7.43663 12.2372 10.3625 5.9221 7.32499 numMergedOcc 0
18 mol 234 unq 2 iso 0 dist 7.14333 10.3017 9.39181 9.33455 5.08515 7.94068 12.2372 11.0622 13.2297 7.32499 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 6.51823 9.28896 6.77463 6.62283 10.4017 8.90076 10.2134 10.7456 5.11565 7.57812 numMergedOcc 0
20 mol 238 unq 1 iso 0 dist 6.51823 9.28896 6.77463 6.62283 10.4017 8.90076 5.88384 10.3007 11.0401 9.24557 numMergedOcc 0
21 mol 238 unq 2 iso 0 dist 6.51823 9.28896 6.77463 8.60978 7.95232 6.62002 10.2134 10.7456 5.11565 8.69104 numMergedOcc 0
22 mol 238 unq 3 iso 0 dist 6.51823 6.04481 7.2766 6.62283 10.4017 8.09718 10.2134 10.7456 13.171 7.57812 numMergedOcc 0
23 mol 238 unq 4 iso 0 dist 6.51823 6.04481 7.2766 6.62283 10.4017 8.09718 5.88384 10.3007 11.9142 9.24557 numMergedOcc 0
24 mol 238 unq 5 iso 0 dist 6.51823 6.04481 7.2766 8.60978 7.95232 6.73446 10.2134 10.7456 13.171 8.69104 numMergedOcc 0
25 mol 259 unq 0 iso 0 dist 6.20344 12.9748 7.48005 10.7258 8.81835 8.71497 5.56656 7.88519 11.6195 7.98231 numMergedOcc 0
26 mol 259 unq 1 iso 0 dist 6.20344 12.9748 7.48005 10.7258 8.81835 8.71497 10.3156 7.46176 5.79468 7.08526 numMergedOcc 0
