0 mol 48 unq 0 iso 0 dist 5.35252 9.40644 5.43494 10.6637 9.79657 11.7677 8.12843 8.52681 7.33788 10.6247 numMergedOcc 0
1 mol 48 unq 1 iso 0 dist 5.35252 9.40644 5.43494 10.6637 9.79657 11.7677 9.72202 9.98769 9.74351 7.07594 numMergedOcc 0
2 mol 64 unq 0 iso 0 dist 8.52643 9.75299 4.78627 7.59945 5.45684 7.66372 10.9916 8.6701 11.9535 4.80256 numMergedOcc 0
3 mol 64 unq 1 iso 0 dist 8.52643 9.75299 4.78627 13.3239 7.76644 9.99743 10.9916 8.6701 11.9535 5.13486 numMergedOcc 0
4 mol 64 unq 2 iso 0 dist 5.41357 9.30042 4.78627 5.65551 5.45684 7.66372 7.48046 8.6701 11.9535 4.80256 numMergedOcc 0
5 mol 64 unq 3 iso 0 dist 5.41357 9.30042 4.78627 9.81422 7.76644 9.99743 7.48046 8.6701 11.9535 5.13486 numMergedOcc 0
6 mol 174 unq 0 iso 0 dist 8.16228 8.57467 5.33032 5.38744 9.56869 7.37131 4.40064 8.60718 9.40371 5.01986 numMergedOcc 0
7 mol 183 unq 0 iso 0 dist 8.97652 8.29364 5.77399 4.92164 9.84649 11.5589 14.3669 8.69656 13.3057 14.1568 numMergedOcc 0
8 mol 186 unq 0 iso 0 dist 6.72718 8.72949 10.4327 11.315 9.60838 18.9497 8.09407 8.92335 16.1364 5.21542 numMergedOcc 0
9 mol 192 unq 0 iso 0 dist 6.2016 8.3453 6.63296 6.16078 5.83093 11.2722 9.82858 7.97601 13.1706 9.42206 numMergedOcc 0
10 mol 224 unq 0 iso 0 dist 7.31608 7.96226 5.19836 3.92881 8.96263 7.35677 6.23998 7.80646 5.95109 6.81831 numMergedOcc 0
11 mol 224 unq 1 iso 0 dist 7.96226 7.31608 5.19836 3.92881 7.35677 8.96263 6.23998 5.95109 7.80646 6.81831 numMergedOcc 0
12 mol 239 unq 0 iso 0 dist 8.86185 9.01071 15.9311 10.1043 7.80073 18.9779 6.16212 9.58325 14.428 7.79949 numMergedOcc 0
13 mol 244 unq 0 iso 0 dist 7.79787 7.43391 12.5222 8.64762 6.2667 14.0376 4.80974 9.45199 11.4167 7.17774 numMergedOcc 0
14 mol 244 unq 1 iso 0 dist 7.79787 7.43391 12.5222 8.64762 6.2667 14.0376 13.59 9.07512 19.1923 5.2958 numMergedOcc 0
15 mol 249 unq 0 iso 0 dist 3.67935 8.00386 6.79958 6.13333 5.70674 10.464 8.32339 9.04147 15.1455 5.63037 numMergedOcc 0
16 mol 261 unq 0 iso 0 dist 6.0437 7.58385 5.29945 6.8395 9.38192 13.3884 4.0136 7.14871 10.3175 3.67073 numMergedOcc 0
17 mol 261 unq 1 iso 0 dist 6.0437 7.58385 5.29945 6.29331 6.99444 8.25759 4.0136 7.14871 10.3175 9.24385 numMergedOcc 0
18 mol 261 unq 2 iso 0 dist 4.85199 9.72159 10.4196 5.03102 9.38192 12.9617 4.30068 7.14871 13.812 3.67073 numMergedOcc 0
19 mol 261 unq 3 iso 0 dist 4.85199 9.72159 10.4196 6.40309 6.99444 11.0021 4.30068 7.14871 13.812 9.24385 numMergedOcc 0
20 mol 261 unq 4 iso 0 dist 9.13604 6.89731 10.4196 9.37836 9.38192 12.9617 10.2597 7.14871 13.812 3.67073 numMergedOcc 0
21 mol 261 unq 5 iso 0 dist 9.13604 6.89731 10.4196 5.91745 6.99444 11.0021 10.2597 7.14871 13.812 9.24385 numMergedOcc 0
22 mol 261 unq 6 iso 0 dist 9.13604 9.85607 10.8346 9.37836 9.38192 16.7353 10.2597 7.14871 16.4733 3.67073 numMergedOcc 0
23 mol 261 unq 7 iso 0 dist 9.13604 9.85607 10.8346 5.91745 6.99444 11.436 10.2597 7.14871 16.4733 9.24385 numMergedOcc 0
24 mol 282 unq 0 iso 0 dist 6.04225 8.54984 5.72971 6.0405 6.51248 8.30313 4.01024 7.21879 11.1643 9.17043 numMergedOcc 0
25 mol 282 unq 1 iso 0 dist 5.00258 9.98886 10.6828 6.38947 6.51248 11.7298 4.4471 7.21879 14.1761 9.17043 numMergedOcc 0
26 mol 282 unq 2 iso 0 dist 8.22117 6.81887 10.6828 5.98603 6.51248 11.7298 10.1631 7.21879 14.1761 9.17043 numMergedOcc 0
