0 mol 24 unq 0 iso 0 dist 8.11143 6.88453 7.49157 10.9683 9.41655 6.00575 numMergedOcc 0
1 mol 28 unq 0 iso 0 dist 8.66738 9.10555 8.95154 16.0786 9.17482 10.2179 numMergedOcc 0
2 mol 107 unq 0 iso 0 dist 7.2168 13.5052 9.45682 8.84464 7.82303 8.38463 numMergedOcc 0
3 mol 112 unq 0 iso 0 dist 9.64908 10.746 6.87434 5.51584 9.34689 10.0814 numMergedOcc 0
4 mol 143 unq 0 iso 0 dist 9.99012 17.4764 8.64905 6.36527 7.22 12.7056 numMergedOcc 0
5 mol 143 unq 1 iso 0 dist 5.33772 5.11989 8.64905 11.1239 7.22 12.7056 numMergedOcc 0
6 mol 152 unq 0 iso 0 dist 8.09561 10.0459 6.79114 5.49264 5.42715 7.78913 numMergedOcc 0
7 mol 152 unq 1 iso 0 dist 8.09561 10.0459 6.79114 12.0433 7.34557 5.70788 numMergedOcc 0
8 mol 152 unq 2 iso 0 dist 9.07315 10.0459 7.59457 5.49264 9.70575 7.78913 numMergedOcc 0
9 mol 152 unq 3 iso 0 dist 9.07315 14.7437 9.00072 5.49264 9.70575 12.9816 numMergedOcc 0
10 mol 152 unq 4 iso 0 dist 9.07315 10.719 7.55419 5.49264 9.70575 11.2503 numMergedOcc 0
11 mol 152 unq 5 iso 0 dist 6.68265 6.62991 7.55934 12.755 9.48674 7.2238 numMergedOcc 0
12 mol 152 unq 6 iso 0 dist 7.78842 7.17016 7.55934 6.79236 9.48674 7.2238 numMergedOcc 0
13 mol 167 unq 0 iso 0 dist 8.06817 8.88239 5.36671 12.3827 8.23119 5.48292 numMergedOcc 0
14 mol 194 unq 0 iso 0 dist 7.56217 13.445 9.52922 10.3444 5.13892 6.66155 numMergedOcc 0
15 mol 194 unq 1 iso 0 dist 7.56217 13.445 9.52922 14.1482 8.2232 5.4499 numMergedOcc 0
16 mol 194 unq 2 iso 0 dist 9.81055 18.4888 9.38984 10.3444 5.78717 11.971 numMergedOcc 0
17 mol 194 unq 3 iso 0 dist 9.81055 19.6126 9.91118 10.3444 5.78717 13.2864 numMergedOcc 0
18 mol 252 unq 0 iso 0 dist 9.09279 5.96471 8.55044 11.8314 8.38453 8.24423 numMergedOcc 0
19 mol 253 unq 0 iso 0 dist 6.93942 4.75041 5.77511 4.60689 6.3738 6.70471 numMergedOcc 0
20 mol 253 unq 1 iso 0 dist 6.93942 8.65261 9.27311 4.60689 6.3738 5.70882 numMergedOcc 0
21 mol 253 unq 2 iso 0 dist 9.31626 8.62694 5.77511 9.18036 6.3738 6.70471 numMergedOcc 0
22 mol 253 unq 3 iso 0 dist 9.31626 14.0529 9.27311 9.18036 6.3738 5.70882 numMergedOcc 0
23 mol 274 unq 0 iso 0 dist 8.67957 7.23876 8.12739 5.1571 7.66409 8.33977 numMergedOcc 0
24 mol 292 unq 0 iso 0 dist 9.25289 8.15589 9.96374 4.37497 8.42359 9.84292 numMergedOcc 0
25 mol 292 unq 1 iso 0 dist 9.29687 15.908 9.96374 12.792 8.42359 9.84292 numMergedOcc 0
