0 mol 16 unq 0 iso 0 dist 6.68517 10.1407 8.47315 5.65481 4.7319 5.59769 11.0264 5.40044 7.72142 6.28033 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.06275 5.71662 9.74445 5.5249 8.80331 10.323 12.4032 9.69698 8.58709 15.7652 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.06275 5.71662 9.74445 5.5249 8.80331 10.323 8.34858 5.90113 7.53564 9.17086 numMergedOcc 0
3 mol 43 unq 2 iso 0 dist 8.06275 5.71662 9.74445 10.4413 6.20293 14.445 12.4032 9.69698 8.58709 15.8918 numMergedOcc 0
4 mol 43 unq 3 iso 0 dist 8.06275 5.71662 9.74445 10.4413 6.20293 14.445 8.34858 5.90113 7.53564 10.615 numMergedOcc 0
5 mol 43 unq 4 iso 0 dist 8.90024 18.5048 9.74445 13.9129 8.80331 10.323 17.4249 9.69698 8.58709 15.7652 numMergedOcc 0
6 mol 43 unq 5 iso 0 dist 8.90024 18.5048 9.74445 13.9129 8.80331 10.323 13.9217 5.90113 7.53564 9.17086 numMergedOcc 0
7 mol 43 unq 6 iso 0 dist 8.90024 18.5048 9.74445 5.84171 6.20293 14.445 17.4249 9.69698 8.58709 15.8918 numMergedOcc 0
8 mol 43 unq 7 iso 0 dist 8.90024 18.5048 9.74445 5.84171 6.20293 14.445 13.9217 5.90113 7.53564 10.615 numMergedOcc 0
9 mol 61 unq 0 iso 0 dist 5.50504 5.25196 9.62468 7.62418 6.65721 10.7369 13.9782 18.7183 9.94756 20.4711 numMergedOcc 0
10 mol 61 unq 1 iso 0 dist 5.50504 5.25196 9.62468 6.53977 6.72123 11.5608 13.9782 18.7183 9.94756 19.7171 numMergedOcc 0
11 mol 61 unq 2 iso 0 dist 5.50504 6.97911 5.92705 7.62418 6.65721 5.4671 11.228 7.15161 6.85094 10.5531 numMergedOcc 0
12 mol 61 unq 3 iso 0 dist 5.50504 6.97911 5.92705 6.53977 6.72123 10.1513 11.228 7.15161 6.85094 13.6393 numMergedOcc 0
13 mol 114 unq 0 iso 0 dist 6.71345 5.67441 8.42445 6.49725 7.5732 7.18757 5.37661 9.52181 8.592 11.8382 numMergedOcc 0
14 mol 122 unq 0 iso 0 dist 8.47907 6.85647 8.33083 9.75696 8.37808 12.4383 9.71402 11.9943 9.44209 18.0518 numMergedOcc 0
15 mol 142 unq 0 iso 0 dist 8.86346 7.25495 7.57458 16.7609 9.2313 13.1936 6.54706 6.01403 5.1557 14.3662 numMergedOcc 0
16 mol 142 unq 1 iso 0 dist 8.86346 7.25495 7.57458 16.7609 9.2313 13.1936 15.4113 8.68855 9.5355 7.15087 numMergedOcc 0
17 mol 142 unq 2 iso 0 dist 8.86346 7.25495 7.57458 13.5268 7.73169 12.288 6.54706 6.01403 5.1557 13.2109 numMergedOcc 0
18 mol 142 unq 3 iso 0 dist 8.86346 7.25495 7.57458 13.5268 7.73169 12.288 15.4113 8.68855 9.5355 10.5719 numMergedOcc 0
19 mol 142 unq 4 iso 0 dist 8.86346 7.25495 7.57458 12.1759 8.96657 14.2067 6.54706 6.01403 5.1557 13.7988 numMergedOcc 0
20 mol 142 unq 5 iso 0 dist 8.86346 7.25495 7.57458 12.1759 8.96657 14.2067 15.4113 8.68855 9.5355 15.3413 numMergedOcc 0
21 mol 142 unq 6 iso 0 dist 4.93681 5.20379 7.57458 12.8283 9.2313 13.1936 4.56239 6.01403 5.1557 14.3662 numMergedOcc 0
22 mol 142 unq 7 iso 0 dist 4.93681 5.20379 7.57458 12.8283 9.2313 13.1936 11.5686 8.68855 9.5355 7.15087 numMergedOcc 0
23 mol 142 unq 8 iso 0 dist 4.93681 5.20379 7.57458 10.1677 7.73169 12.288 4.56239 6.01403 5.1557 13.2109 numMergedOcc 0
24 mol 142 unq 9 iso 0 dist 4.93681 5.20379 7.57458 10.1677 7.73169 12.288 11.5686 8.68855 9.5355 10.5719 numMergedOcc 0
25 mol 142 unq 10 iso 0 dist 4.93681 5.20379 7.57458 10.0866 8.96657 14.2067 4.56239 6.01403 5.1557 13.7988 numMergedOcc 0
26 mol 142 unq 11 iso 0 dist 4.93681 5.20379 7.57458 10.0866 8.96657 14.2067 11.5686 8.68855 9.5355 15.3413 numMergedOcc 0
27 mol 152 unq 0 iso 0 dist 8.34839 5.80854 9.10619 5.65129 8.56324 9.66339 13.191 9.50073 8.84852 15.3848 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 8.34839 5.80854 9.10619 10.5295 6.70283 13.9994 13.191 9.50073 8.84852 16.0753 numMergedOcc 0
29 mol 152 unq 2 iso 0 dist 8.34839 5.80854 9.10619 10.7929 7.16148 14.2552 13.191 9.50073 8.84852 16.0158 numMergedOcc 0
30 mol 181 unq 0 iso 0 dist 9.74465 5.02351 7.44191 8.42326 8.03334 9.60754 8.8328 5.32859 4.35909 11.0615 numMergedOcc 0
31 mol 181 unq 1 iso 0 dist 9.74465 12.774 6.00053 8.42326 8.03334 11.1879 8.8328 5.32859 5.77393 11.0615 numMergedOcc 0
32 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 12.2116 9.23153 14.6296 15.9721 9.20027 4.3362 17.1012 numMergedOcc 0
33 mol 220 unq 1 iso 0 dist 8.14644 14.5536 7.31105 12.2916 8.24498 9.52692 15.9721 9.20027 4.3362 13.6374 numMergedOcc 0
34 mol 238 unq 0 iso 0 dist 9.39537 6.39493 9.75174 9.53107 6.57393 13.477 10.3318 6.53984 6.32593 12.6391 numMergedOcc 0
35 mol 239 unq 0 iso 0 dist 8.82778 12.7518 6.37342 11.4665 6.16342 5.29737 9.20248 4.77446 4.21935 6.83046 numMergedOcc 0
36 mol 274 unq 0 iso 0 dist 9.13226 11.0263 9.696 10.7073 7.56915 10.7962 6.89781 6.04536 9.96645 12.1604 numMergedOcc 0
37 mol 274 unq 1 iso 0 dist 9.13226 11.0263 9.696 10.7073 7.56915 10.7962 13.4106 6.12463 9.2447 12.2117 numMergedOcc 0
38 mol 274 unq 2 iso 0 dist 9.13226 11.0263 9.696 11.3302 8.49997 5.1874 6.89781 6.04536 9.96645 11.4986 numMergedOcc 0
39 mol 274 unq 3 iso 0 dist 9.13226 11.0263 9.696 11.3302 8.49997 5.1874 13.4106 6.12463 9.2447 10.1296 numMergedOcc 0
40 mol 277 unq 0 iso 0 dist 7.23956 7.09461 6.90434 15.6875 9.7748 13.2927 14.6314 16.2915 9.42812 20.3589 numMergedOcc 0
