0 mol 34 unq 0 iso 0 dist 8.16769 8.95822 8.23162 6.9246 6.016 4.33564 numMergedOcc 0
1 mol 34 unq 1 iso 0 dist 8.50453 8.95822 6.57908 6.9246 8.38156 4.33564 numMergedOcc 0
2 mol 34 unq 2 iso 0 dist 8.50453 8.95822 6.57908 12.5287 7.79336 9.79566 numMergedOcc 0
3 mol 34 unq 3 iso 0 dist 8.50453 8.95822 6.57908 13.6582 7.08559 8.89606 numMergedOcc 0
4 mol 34 unq 4 iso 0 dist 6.74716 7.28328 6.57908 8.09738 8.38156 4.33564 numMergedOcc 0
5 mol 34 unq 5 iso 0 dist 6.74716 7.28328 6.57908 7.48264 7.79336 9.79566 numMergedOcc 0
6 mol 34 unq 6 iso 0 dist 6.74716 7.28328 6.57908 9.18464 7.08559 8.89606 numMergedOcc 0
7 mol 62 unq 0 iso 0 dist 4.89196 6.7153 8.91572 7.751 9.1062 8.91835 numMergedOcc 0
8 mol 113 unq 0 iso 0 dist 8.94447 11.7007 8.55666 11.2557 5.29949 5.37066 numMergedOcc 0
9 mol 113 unq 1 iso 0 dist 8.94447 9.26549 8.45284 11.2557 5.29949 8.15848 numMergedOcc 0
10 mol 113 unq 2 iso 0 dist 8.94447 12.6498 7.77845 11.2557 5.29949 12.7927 numMergedOcc 0
11 mol 113 unq 3 iso 0 dist 8.94447 18.0659 9.43828 11.2557 5.29949 8.15059 numMergedOcc 0
12 mol 134 unq 0 iso 0 dist 5.98435 5.84146 8.72056 4.72407 6.44575 3.64555 numMergedOcc 0
13 mol 134 unq 1 iso 0 dist 5.98435 5.84146 8.72056 7.97297 7.43401 4.78701 numMergedOcc 0
14 mol 141 unq 0 iso 0 dist 9.55297 5.41269 5.83972 11.0797 7.54341 6.98797 numMergedOcc 0
15 mol 184 unq 0 iso 0 dist 7.09847 13.0531 9.03971 11.9266 7.59939 3.75201 numMergedOcc 0
16 mol 197 unq 0 iso 0 dist 6.58245 7.6839 9.47487 9.66766 9.27218 4.26432 numMergedOcc 0
17 mol 225 unq 0 iso 0 dist 6.31342 9.91306 4.90724 4.94099 5.93063 7.17222 numMergedOcc 0
18 mol 225 unq 1 iso 0 dist 6.31342 9.74362 7.01671 4.94099 5.93063 5.33457 numMergedOcc 0
19 mol 230 unq 0 iso 0 dist 8.62873 7.45253 4.98602 7.96828 8.10546 3.86571 numMergedOcc 0
20 mol 233 unq 0 iso 0 dist 5.34745 8.39255 9.13657 6.49444 8.24424 4.12865 numMergedOcc 0
21 mol 233 unq 1 iso 0 dist 5.34745 8.39255 9.13657 6.63339 7.0942 7.02682 numMergedOcc 0
22 mol 233 unq 2 iso 0 dist 5.34745 8.39255 9.13657 9.86764 6.01775 8.26863 numMergedOcc 0
23 mol 233 unq 3 iso 0 dist 7.99897 6.69492 9.13657 9.1334 8.24424 4.12865 numMergedOcc 0
24 mol 233 unq 4 iso 0 dist 7.99897 6.69492 9.13657 9.81222 7.0942 7.02682 numMergedOcc 0
25 mol 233 unq 5 iso 0 dist 7.99897 6.69492 9.13657 5.17683 6.01775 8.26863 numMergedOcc 0
26 mol 233 unq 6 iso 0 dist 8.98366 15.1659 9.13657 12.3327 8.24424 4.12865 numMergedOcc 0
27 mol 233 unq 7 iso 0 dist 8.98366 15.1659 9.13657 8.89879 7.0942 7.02682 numMergedOcc 0
28 mol 233 unq 8 iso 0 dist 8.98366 15.1659 9.13657 9.7363 6.01775 8.26863 numMergedOcc 0
29 mol 234 unq 0 iso 0 dist 7.54327 6.00606 5.99388 16.363 9.11572 12.4759 numMergedOcc 0
30 mol 287 unq 0 iso 0 dist 8.70062 12.463 9.99897 9.8719 8.59762 9.36666 numMergedOcc 0
31 mol 288 unq 0 iso 0 dist 8.70062 12.463 9.99897 9.8719 8.59762 9.36666 numMergedOcc 0
32 mol 289 unq 0 iso 0 dist 8.70062 12.463 9.99897 9.8719 8.59762 9.36666 numMergedOcc 0
