0 mol 20 unq 0 iso 0 dist 7.5517 5.45273 8.26091 6.26206 3.59314 8.72342 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 9.65174 4.21283 8.25818 4.90592 9.63925 7.85986 numMergedOcc 0
2 mol 34 unq 0 iso 0 dist 9.31883 5.9339 9.48125 6.15801 9.92713 9.95093 numMergedOcc 0
3 mol 34 unq 1 iso 0 dist 6.29842 4.06864 6.38866 6.15801 6.35031 8.0991 numMergedOcc 0
4 mol 34 unq 2 iso 0 dist 6.29842 4.06864 6.38866 9.63403 5.50427 8.80175 numMergedOcc 0
5 mol 34 unq 3 iso 0 dist 6.29842 4.06864 6.38866 9.59846 3.54863 8.61637 numMergedOcc 0
6 mol 48 unq 0 iso 0 dist 6.84514 5.15398 5.54472 7.59316 3.50984 6.28603 numMergedOcc 0
7 mol 48 unq 1 iso 0 dist 6.84514 8.66294 8.62369 7.59316 3.50984 8.80303 numMergedOcc 0
8 mol 48 unq 2 iso 0 dist 6.84514 12.5266 6.5241 7.59316 3.50984 7.11491 numMergedOcc 0
9 mol 48 unq 3 iso 0 dist 7.05619 5.15603 5.37439 7.51285 3.65036 5.73454 numMergedOcc 0
10 mol 48 unq 4 iso 0 dist 7.05619 8.37489 8.3714 7.51285 3.65036 8.2012 numMergedOcc 0
11 mol 48 unq 5 iso 0 dist 7.05619 12.6408 6.36817 7.51285 3.65036 7.1829 numMergedOcc 0
12 mol 83 unq 0 iso 0 dist 5.9281 6.74231 6.96722 14.9121 13.9971 8.99451 numMergedOcc 0
13 mol 92 unq 0 iso 0 dist 7.87729 5.19513 8.55237 8.57827 4.15826 9.22418 numMergedOcc 0
14 mol 107 unq 0 iso 0 dist 7.82303 13.2648 8.19484 16.1612 8.49625 7.89505 numMergedOcc 0
15 mol 111 unq 0 iso 0 dist 4.72339 4.26808 4.91212 10.151 8.83426 9.72371 numMergedOcc 0
16 mol 111 unq 1 iso 0 dist 7.21505 4.26808 9.34782 10.151 16.815 9.72371 numMergedOcc 0
17 mol 113 unq 0 iso 0 dist 8.28325 6.39863 7.02358 15.5696 14.7833 9.62952 numMergedOcc 0
18 mol 131 unq 0 iso 0 dist 4.48699 4.9293 7.53342 5.39061 4.94367 7.84546 numMergedOcc 0
19 mol 141 unq 0 iso 0 dist 8.88454 11.2139 4.88514 9.78667 3.80087 4.92382 numMergedOcc 0
20 mol 141 unq 1 iso 0 dist 9.48581 10.7006 4.88514 8.47026 3.80087 4.92382 numMergedOcc 0
21 mol 143 unq 0 iso 0 dist 5.66207 5.42311 4.3855 6.95372 4.5497 7.2932 numMergedOcc 0
22 mol 194 unq 0 iso 0 dist 5.13892 8.68259 5.10542 6.37788 3.7326 8.43182 numMergedOcc 0
23 mol 194 unq 1 iso 0 dist 5.78717 8.68259 4.68722 6.37788 7.29209 8.43182 numMergedOcc 0
24 mol 194 unq 2 iso 0 dist 8.2232 9.38176 5.10542 8.7028 3.7326 8.43182 numMergedOcc 0
25 mol 253 unq 0 iso 0 dist 6.3738 4.30218 8.66299 8.15091 5.68255 9.73723 numMergedOcc 0
26 mol 260 unq 0 iso 0 dist 9.25019 11.3153 8.62655 12.8401 7.28821 6.49413 numMergedOcc 0
27 mol 260 unq 1 iso 0 dist 4.64695 5.42399 8.62655 7.99521 7.28821 6.49413 numMergedOcc 0
