0 mol 12 unq 0 iso 0 dist 5.44478 7.77531 9.78092 5.70264 8.15864 11.9718 numMergedOcc 0
1 mol 43 unq 0 iso 0 dist 8.83248 8.21283 9.79678 10.3387 8.84944 4.22382 numMergedOcc 0
2 mol 104 unq 0 iso 0 dist 6.14066 11.508 7.63919 5.30572 5.71279 10.0228 numMergedOcc 0
3 mol 104 unq 1 iso 0 dist 6.14066 11.508 7.63919 5.886 6.18499 7.19193 numMergedOcc 0
4 mol 129 unq 0 iso 0 dist 7.48833 4.7211 7.45114 14.3839 9.52061 15.8255 numMergedOcc 0
5 mol 131 unq 0 iso 0 dist 9.43182 7.79976 9.08036 8.73734 9.19171 13.8836 numMergedOcc 0
6 mol 131 unq 1 iso 0 dist 5.23223 6.94555 9.08036 7.28525 9.19171 13.8836 numMergedOcc 0
7 mol 132 unq 0 iso 0 dist 7.14447 8.84157 7.73306 9.07803 9.39389 8.41467 numMergedOcc 0
8 mol 132 unq 1 iso 0 dist 9.10144 6.40933 7.73306 5.36829 6.94745 8.91031 numMergedOcc 0
9 mol 133 unq 0 iso 0 dist 4.46578 8.20979 8.08807 10.008 8.76088 8.17831 numMergedOcc 0
10 mol 157 unq 0 iso 0 dist 6.66184 6.49118 6.18988 7.20013 6.8976 4.87585 numMergedOcc 0
11 mol 165 unq 0 iso 0 dist 3.87901 7.23314 7.74717 8.4352 7.21397 14.5599 numMergedOcc 0
12 mol 165 unq 1 iso 0 dist 5.04534 10.0295 7.74717 5.73847 7.21397 14.5599 numMergedOcc 0
13 mol 168 unq 0 iso 0 dist 9.58783 4.13188 9.95547 11.4343 9.11481 13.7959 numMergedOcc 0
14 mol 182 unq 0 iso 0 dist 7.03216 9.88308 8.22267 4.60682 8.27913 9.4786 numMergedOcc 0
15 mol 192 unq 0 iso 0 dist 9.67207 8.94989 8.40971 4.64973 6.2016 9.45543 numMergedOcc 0
16 mol 192 unq 1 iso 0 dist 9.67207 8.94989 8.40971 6.57816 8.3453 5.39993 numMergedOcc 0
17 mol 204 unq 0 iso 0 dist 7.72756 8.13479 9.38418 7.85975 9.38188 13.9005 numMergedOcc 0
18 mol 204 unq 1 iso 0 dist 7.72756 3.76374 8.0795 7.85975 9.38188 6.98747 numMergedOcc 0
19 mol 204 unq 2 iso 0 dist 4.90334 10.2397 9.38418 7.84606 9.52029 17.6365 numMergedOcc 0
20 mol 250 unq 0 iso 0 dist 5.75551 7.3959 9.16575 4.11548 5.07895 4.24715 numMergedOcc 0
21 mol 252 unq 0 iso 0 dist 9.31855 8.64467 5.75279 11.2871 8.19645 7.73883 numMergedOcc 0
22 mol 259 unq 0 iso 0 dist 9.49732 6.86723 8.06955 14.4507 8.54422 8.52607 numMergedOcc 0
23 mol 259 unq 1 iso 0 dist 9.49732 6.86723 8.06955 10.4459 7.67473 4.55934 numMergedOcc 0
24 mol 276 unq 0 iso 0 dist 5.71066 4.13053 9.15041 6.62682 9.87655 8.99762 numMergedOcc 0
25 mol 276 unq 1 iso 0 dist 9.69468 14.976 9.15041 11.3715 9.87655 8.99762 numMergedOcc 0
26 mol 276 unq 2 iso 0 dist 8.0652 7.74891 9.15041 6.40983 7.60807 7.75603 numMergedOcc 0
27 mol 283 unq 0 iso 0 dist 6.89455 10.9579 8.53155 9.33643 9.28067 9.90768 numMergedOcc 0
28 mol 283 unq 1 iso 0 dist 8.821 11.4144 8.76844 12.3485 9.243 11.6694 numMergedOcc 0
29 mol 283 unq 2 iso 0 dist 9.82337 15.3462 8.92124 9.33643 5.71075 6.69432 numMergedOcc 0
30 mol 283 unq 3 iso 0 dist 8.07626 12.7444 8.53155 6.76599 9.28067 9.90768 numMergedOcc 0
31 mol 283 unq 4 iso 0 dist 6.3448 11.5206 8.92124 6.76599 5.71075 6.69432 numMergedOcc 0
32 mol 293 unq 0 iso 0 dist 8.27274 11.1018 9.15753 6.26633 6.42608 11.0181 numMergedOcc 0
