0 mol 43 unq 0 iso 0 dist 8.34858 5.71662 7.53564 8.06275 5.90113 9.74445 5.5249 9.17086 10.323 8.80331 numMergedOcc 0
1 mol 43 unq 1 iso 0 dist 8.34858 5.71662 7.53564 8.06275 5.90113 9.74445 10.4413 10.615 14.445 6.20293 numMergedOcc 0
2 mol 114 unq 0 iso 0 dist 5.37661 5.67441 8.592 6.71345 9.52181 8.42445 6.49725 11.8382 7.18757 7.5732 numMergedOcc 0
3 mol 122 unq 0 iso 0 dist 9.71402 6.85647 9.44209 8.47907 11.9943 8.33083 9.75696 18.0518 12.4383 8.37808 numMergedOcc 0
4 mol 142 unq 0 iso 0 dist 6.54706 7.25495 5.1557 8.86346 6.01403 7.57458 16.7609 14.3662 13.1936 9.2313 numMergedOcc 0
5 mol 142 unq 1 iso 0 dist 6.54706 7.25495 5.1557 8.86346 6.01403 7.57458 13.5268 13.2109 12.288 7.73169 numMergedOcc 0
6 mol 142 unq 2 iso 0 dist 6.54706 7.25495 5.1557 8.86346 6.01403 7.57458 12.1759 13.7988 14.2067 8.96657 numMergedOcc 0
7 mol 142 unq 3 iso 0 dist 4.56239 5.20379 5.1557 4.93681 6.01403 7.57458 12.8283 14.3662 13.1936 9.2313 numMergedOcc 0
8 mol 142 unq 4 iso 0 dist 4.56239 5.20379 5.1557 4.93681 6.01403 7.57458 10.1677 13.2109 12.288 7.73169 numMergedOcc 0
9 mol 142 unq 5 iso 0 dist 4.56239 5.20379 5.1557 4.93681 6.01403 7.57458 10.0866 13.7988 14.2067 8.96657 numMergedOcc 0
10 mol 142 unq 6 iso 0 dist 5.49328 11.3375 9.5355 11.9068 8.68855 7.57458 7.17212 7.15087 13.1936 9.2313 numMergedOcc 0
11 mol 142 unq 7 iso 0 dist 5.49328 11.3375 9.5355 11.9068 8.68855 7.57458 10.4957 10.5719 12.288 7.73169 numMergedOcc 0
12 mol 142 unq 8 iso 0 dist 5.49328 11.3375 9.5355 11.9068 8.68855 7.57458 16.0638 15.3413 14.2067 8.96657 numMergedOcc 0
13 mol 156 unq 0 iso 0 dist 5.56994 6.02972 8.34508 10.0247 12.7636 7.30021 4.88441 9.97623 5.0966 7.44554 numMergedOcc 0
14 mol 156 unq 1 iso 0 dist 5.56994 6.02972 8.34508 10.0247 12.7636 7.30021 9.44257 13.465 5.75141 8.94056 numMergedOcc 0
15 mol 156 unq 2 iso 0 dist 5.56994 6.02972 8.34508 10.0247 12.7636 7.30021 11.8602 16.944 12.865 9.83699 numMergedOcc 0
16 mol 181 unq 0 iso 0 dist 8.8328 5.02351 4.35909 9.74465 5.32859 7.44191 8.42326 11.0615 9.60754 8.03334 numMergedOcc 0
17 mol 181 unq 1 iso 0 dist 8.8328 12.774 5.77393 9.74465 5.32859 6.00053 8.42326 11.0615 11.1879 8.03334 numMergedOcc 0
18 mol 230 unq 0 iso 0 dist 9.17246 9.99215 9.27643 13.39 6.63414 8.43766 12.7643 10.8539 7.07028 6.7547 numMergedOcc 0
19 mol 238 unq 0 iso 0 dist 8.69741 6.71673 6.32593 11.5605 6.53984 9.75174 15.4469 12.6391 13.477 6.57393 numMergedOcc 0
20 mol 239 unq 0 iso 0 dist 9.20248 12.7518 4.21935 8.82778 4.77446 6.37342 11.4665 6.83046 5.29737 6.16342 numMergedOcc 0
21 mol 274 unq 0 iso 0 dist 6.89781 11.0263 9.96645 9.13226 6.04536 9.696 10.7073 12.1604 10.7962 7.56915 numMergedOcc 0
22 mol 274 unq 1 iso 0 dist 6.89781 11.0263 9.96645 9.13226 6.04536 9.696 11.3302 11.4986 5.1874 8.49997 numMergedOcc 0
23 mol 280 unq 0 iso 0 dist 7.53963 14.7434 9.9227 13.3149 5.80223 8.85762 15.2072 8.80588 4.95798 6.0664 numMergedOcc 0
