0 mol 20 unq 0 iso 0 dist 8.93826 9.42081 7.99756 5.39275 7.47395 4.7579 11.9747 4.8515 7.61139 8.38129 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 8.93826 5.6647 4.36087 5.39275 7.47395 3.21365 11.9747 4.8515 6.54552 8.38129 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 7.17695 9.45728 7.99756 5.17224 7.47395 4.7579 9.55415 4.8515 7.61139 8.38129 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 7.17695 4.76485 4.36087 5.17224 7.47395 3.21365 9.55415 4.8515 6.54552 8.38129 numMergedOcc 0
4 mol 63 unq 0 iso 0 dist 9.54314 7.78684 8.78414 9.09265 8.14512 4.73277 15.8849 10.9354 8.77624 9.07614 numMergedOcc 0
5 mol 63 unq 1 iso 0 dist 9.54314 7.78684 8.78414 7.57764 9.13228 10.1907 15.8849 10.9354 8.77624 15.7108 numMergedOcc 0
6 mol 68 unq 0 iso 0 dist 5.57551 6.56256 8.19932 7.27578 7.7485 7.98805 6.88786 5.37935 6.37273 10.895 numMergedOcc 0
7 mol 78 unq 0 iso 0 dist 6.73466 10.3854 9.80913 4.15443 9.07629 9.40741 15.4473 10.0772 9.6163 16.2471 numMergedOcc 0
8 mol 78 unq 1 iso 0 dist 6.73466 10.3854 9.80913 5.83035 8.61143 9.00868 15.4473 10.0772 9.6163 14.3816 numMergedOcc 0
9 mol 101 unq 0 iso 0 dist 6.67863 13.2642 9.33112 9.54415 8.19144 7.5541 11.3496 5.42817 9.85715 8.83779 numMergedOcc 0
10 mol 194 unq 0 iso 0 dist 8.76748 3.86206 6.68939 3.48476 9.55626 5.43825 10.7356 4.31516 9.51368 10.2422 numMergedOcc 0
11 mol 243 unq 0 iso 0 dist 6.46793 6.76489 9.53137 3.79865 4.55853 7.66826 9.19579 12.5873 8.07313 12.2428 numMergedOcc 0
12 mol 260 unq 0 iso 0 dist 9.46576 17.1277 9.73217 3.48905 8.62655 15.6308 19.1893 13.6008 7.88296 18.995 numMergedOcc 0
13 mol 287 unq 0 iso 0 dist 9.40443 8.85995 8.32982 9.94473 6.24487 5.55422 13.2152 4.01495 9.9229 7.81225 numMergedOcc 0
14 mol 288 unq 0 iso 0 dist 9.40443 8.85995 8.32982 9.94473 6.24487 5.55422 13.2152 4.01495 9.9229 7.81225 numMergedOcc 0
15 mol 289 unq 0 iso 0 dist 9.40443 8.85995 8.32982 9.94473 6.24487 5.55422 13.2152 4.01495 9.9229 7.81225 numMergedOcc 0
