0 mol 0 unq 0 iso 0 dist 8.85565 7.79297 7.49611 11.9798 14.2968 8.82102 11.7303 11.0244 7.65806 4.87624 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.34858 8.06275 5.90113 5.71662 7.53564 9.74445 5.5249 9.17086 8.80331 10.323 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.34858 8.06275 5.90113 5.71662 7.53564 9.74445 10.4413 10.615 6.20293 14.445 numMergedOcc 0
3 mol 102 unq 0 iso 0 dist 9.2958 8.84131 9.50884 10.8385 13.1894 9.10229 8.90571 14.9145 7.36792 8.17186 numMergedOcc 0
4 mol 114 unq 0 iso 0 dist 5.37661 6.71345 9.52181 5.67441 8.592 8.42445 6.49725 11.8382 7.5732 7.18757 numMergedOcc 0
5 mol 115 unq 0 iso 0 dist 9.17664 9.50575 5.47689 9.78923 10.999 6.7225 6.68557 6.55511 5.11551 5.39296 numMergedOcc 0
6 mol 115 unq 1 iso 0 dist 9.18913 8.43116 5.47689 7.46653 10.999 6.7225 4.96719 6.55511 5.11551 5.39296 numMergedOcc 0
7 mol 122 unq 0 iso 0 dist 9.71402 8.47907 11.9943 6.85647 9.44209 8.33083 9.75696 18.0518 8.37808 12.4383 numMergedOcc 0
8 mol 133 unq 0 iso 0 dist 8.82079 7.5055 7.33132 7.43569 14.2446 9.4473 10.9541 9.79004 8.22656 15.4455 numMergedOcc 0
9 mol 133 unq 1 iso 0 dist 8.82079 7.5055 7.33132 7.43569 14.2446 9.4473 5.61003 8.43069 6.82262 11.1611 numMergedOcc 0
10 mol 142 unq 0 iso 0 dist 6.54706 8.86346 6.01403 7.25495 5.1557 7.57458 16.7609 14.3662 9.2313 13.1936 numMergedOcc 0
11 mol 142 unq 1 iso 0 dist 6.54706 8.86346 6.01403 7.25495 5.1557 7.57458 13.5268 13.2109 7.73169 12.288 numMergedOcc 0
12 mol 142 unq 2 iso 0 dist 6.54706 8.86346 6.01403 7.25495 5.1557 7.57458 12.1759 13.7988 8.96657 14.2067 numMergedOcc 0
13 mol 142 unq 3 iso 0 dist 4.56239 4.93681 6.01403 5.20379 5.1557 7.57458 12.8283 14.3662 9.2313 13.1936 numMergedOcc 0
14 mol 142 unq 4 iso 0 dist 4.56239 4.93681 6.01403 5.20379 5.1557 7.57458 10.1677 13.2109 7.73169 12.288 numMergedOcc 0
15 mol 142 unq 5 iso 0 dist 4.56239 4.93681 6.01403 5.20379 5.1557 7.57458 10.0866 13.7988 8.96657 14.2067 numMergedOcc 0
16 mol 178 unq 0 iso 0 dist 7.24761 8.04723 12.0146 6.1397 10.0941 8.0974 14.4072 17.977 6.69288 12.2822 numMergedOcc 0
17 mol 178 unq 1 iso 0 dist 7.24761 8.04723 12.0146 6.1397 10.0941 8.0974 13.0519 18.2855 6.43573 12.4338 numMergedOcc 0
18 mol 178 unq 2 iso 0 dist 7.24761 8.04723 12.0146 6.1397 10.0941 8.0974 10.5681 13.3555 7.17202 13.9722 numMergedOcc 0
19 mol 178 unq 3 iso 0 dist 7.24761 8.04723 12.0146 6.1397 10.0941 8.0974 9.1499 13.9421 8.81551 13.5599 numMergedOcc 0
20 mol 181 unq 0 iso 0 dist 8.8328 9.74465 5.32859 5.02351 4.35909 7.44191 8.42326 11.0615 8.03334 9.60754 numMergedOcc 0
21 mol 181 unq 1 iso 0 dist 8.8328 9.74465 5.32859 12.774 5.77393 6.00053 8.42326 11.0615 8.03334 11.1879 numMergedOcc 0
22 mol 239 unq 0 iso 0 dist 9.20248 8.82778 4.77446 12.7518 4.21935 6.37342 11.4665 6.83046 6.16342 5.29737 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 6.89781 9.13226 6.04536 11.0263 9.96645 9.696 10.7073 12.1604 7.56915 10.7962 numMergedOcc 0
24 mol 274 unq 1 iso 0 dist 6.89781 9.13226 6.04536 11.0263 9.96645 9.696 11.3302 11.4986 8.49997 5.1874 numMergedOcc 0
