0 mol 2 unq 0 iso 0 dist 9.08872 9.97525 9.58976 12.2379 9.39313 8.44439 numMergedOcc 0
1 mol 2 unq 1 iso 0 dist 9.08872 3.9935 9.57645 12.2379 9.39313 12.9947 numMergedOcc 0
2 mol 2 unq 2 iso 0 dist 7.37296 11.2776 9.58976 4.80061 9.39313 8.44439 numMergedOcc 0
3 mol 2 unq 3 iso 0 dist 7.37296 11.0228 9.57645 4.80061 9.39313 12.9947 numMergedOcc 0
4 mol 43 unq 0 iso 0 dist 8.25984 6.92677 9.81698 5.71377 8.25915 6.29595 numMergedOcc 0
5 mol 43 unq 1 iso 0 dist 8.25984 6.92677 9.81698 8.02578 9.81007 3.81748 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 8.28883 5.72813 7.54318 5.29743 7.37491 5.82632 numMergedOcc 0
7 mol 92 unq 0 iso 0 dist 8.67865 5.1767 4.98104 10.8271 7.80279 9.85978 numMergedOcc 0
8 mol 100 unq 0 iso 0 dist 5.61016 9.7552 7.88564 6.77274 9.83944 12.7843 numMergedOcc 0
9 mol 102 unq 0 iso 0 dist 5.43401 7.49575 9.10229 6.04036 5.88034 3.48119 numMergedOcc 0
10 mol 133 unq 0 iso 0 dist 7.96689 11.9436 9.48243 11.8581 6.30568 5.81903 numMergedOcc 0
11 mol 133 unq 1 iso 0 dist 9.6582 16.3678 9.48243 14.8338 6.30568 5.81903 numMergedOcc 0
12 mol 165 unq 0 iso 0 dist 8.64349 5.10218 9.78437 7.53631 9.93641 4.98825 numMergedOcc 0
13 mol 183 unq 0 iso 0 dist 6.21267 11.4393 7.31181 10.0862 8.58178 8.21023 numMergedOcc 0
14 mol 183 unq 1 iso 0 dist 6.21267 11.4393 7.31181 8.68367 4.77438 4.68341 numMergedOcc 0
15 mol 183 unq 2 iso 0 dist 6.21267 11.4393 7.31181 8.36315 5.73344 4.49876 numMergedOcc 0
16 mol 183 unq 3 iso 0 dist 7.41743 6.81609 7.31181 10.0647 8.58178 8.21023 numMergedOcc 0
17 mol 183 unq 4 iso 0 dist 7.41743 6.81609 7.31181 7.5521 4.77438 4.68341 numMergedOcc 0
18 mol 183 unq 5 iso 0 dist 7.41743 6.81609 7.31181 3.17225 5.73344 4.49876 numMergedOcc 0
19 mol 197 unq 0 iso 0 dist 8.51118 8.58314 8.64255 11.048 7.06868 11.9685 numMergedOcc 0
20 mol 205 unq 0 iso 0 dist 9.89311 14.1114 7.07183 12.3846 9.88692 12.6762 numMergedOcc 0
21 mol 205 unq 1 iso 0 dist 9.89311 14.1114 7.07183 6.06509 9.38368 15.4812 numMergedOcc 0
22 mol 211 unq 0 iso 0 dist 9.8921 11.3877 8.63308 14.4494 8.13147 7.53096 numMergedOcc 0
23 mol 238 unq 0 iso 0 dist 5.33462 6.3873 5.56719 7.54878 9.91332 11.003 numMergedOcc 0
24 mol 249 unq 0 iso 0 dist 6.18866 6.28944 5.78121 10.441 9.38713 5.57138 numMergedOcc 0
25 mol 249 unq 1 iso 0 dist 6.18866 12.5843 7.29898 10.441 9.38713 10.3504 numMergedOcc 0
26 mol 255 unq 0 iso 0 dist 6.25315 6.92177 6.57549 10.1521 8.47155 5.22218 numMergedOcc 0
27 mol 258 unq 0 iso 0 dist 8.57305 6.51074 5.81927 9.52365 9.30975 5.82277 numMergedOcc 0
28 mol 258 unq 1 iso 0 dist 8.57305 5.57797 6.09782 9.52365 9.30975 4.83605 numMergedOcc 0
29 mol 277 unq 0 iso 0 dist 6.23539 6.13402 8.57532 13.6904 9.48076 10.9811 numMergedOcc 0
30 mol 277 unq 1 iso 0 dist 6.23539 6.16829 9.02914 13.6904 9.48076 16.4508 numMergedOcc 0
31 mol 277 unq 2 iso 0 dist 6.23539 7.44724 6.90434 13.6904 9.48076 16.2423 numMergedOcc 0
32 mol 280 unq 0 iso 0 dist 7.3304 7.26698 8.85762 5.97356 8.87017 3.51781 numMergedOcc 0
