0 mol 12 unq 0 iso 0 dist 5.44478 4.13477 7.44542 7.77531 9.78092 7.57142 5.70264 8.15864 4.60834 11.9718 numMergedOcc 0
1 mol 132 unq 0 iso 0 dist 9.10144 8.65247 7.16287 6.40933 7.73306 11.926 5.36829 6.94745 4.21327 8.91031 numMergedOcc 0
2 mol 133 unq 0 iso 0 dist 4.46578 6.53566 5.9962 8.20979 8.08807 10.218 10.008 8.76088 5.9683 8.17831 numMergedOcc 0
3 mol 133 unq 1 iso 0 dist 4.46578 4.77272 8.61448 8.20979 8.08807 9.64947 10.008 8.76088 13.8877 8.17831 numMergedOcc 0
4 mol 168 unq 0 iso 0 dist 9.58783 9.46815 9.60268 4.13188 9.95547 8.67578 11.4343 9.11481 9.78459 13.7959 numMergedOcc 0
5 mol 168 unq 1 iso 0 dist 9.58783 5.35061 8.79954 4.13188 9.95547 5.21399 11.4343 9.11481 9.70858 13.7959 numMergedOcc 0
6 mol 204 unq 0 iso 0 dist 7.72756 11.8734 8.57123 8.13479 9.38418 13.5306 7.85975 9.38188 7.68439 13.9005 numMergedOcc 0
7 mol 204 unq 1 iso 0 dist 7.72756 11.8734 8.57123 3.76374 8.0795 12.4109 7.85975 9.38188 7.68439 6.98747 numMergedOcc 0
8 mol 250 unq 0 iso 0 dist 5.75551 12.8213 9.80833 7.3959 9.16575 10.7836 4.11548 5.07895 9.96947 4.24715 numMergedOcc 0
9 mol 259 unq 0 iso 0 dist 9.49732 12.8939 8.06908 6.86723 8.06955 8.77225 14.4507 8.54422 5.99165 8.52607 numMergedOcc 0
10 mol 259 unq 1 iso 0 dist 9.49732 12.8939 8.06908 6.86723 8.06955 8.77225 10.4459 7.67473 4.78344 4.55934 numMergedOcc 0
11 mol 276 unq 0 iso 0 dist 5.71066 12.7549 9.5388 4.13053 9.15041 15.2084 6.62682 9.87655 17.4715 8.99762 numMergedOcc 0
12 mol 276 unq 1 iso 0 dist 9.69468 10.5398 9.5388 14.976 9.15041 15.2084 11.3715 9.87655 17.4715 8.99762 numMergedOcc 0
13 mol 283 unq 0 iso 0 dist 6.89455 10.1296 8.89292 10.9579 8.53155 6.32608 9.33643 9.28067 4.02114 9.90768 numMergedOcc 0
14 mol 283 unq 1 iso 0 dist 9.82337 10.1296 8.43009 15.3462 8.92124 9.5249 9.33643 5.71075 4.02114 6.69432 numMergedOcc 0
15 mol 283 unq 2 iso 0 dist 8.07626 9.38191 8.89292 12.7444 8.53155 6.32608 6.76599 9.28067 4.02114 9.90768 numMergedOcc 0
16 mol 283 unq 3 iso 0 dist 6.3448 9.38191 8.43009 11.5206 8.92124 9.5249 6.76599 5.71075 4.02114 6.69432 numMergedOcc 0
17 mol 293 unq 0 iso 0 dist 8.27274 4.35498 6.83404 11.1018 9.15753 6.89397 6.26633 6.42608 5.86662 11.0181 numMergedOcc 0
