0 mol 12 unq 0 iso 0 dist 8.79013 4.13477 9.79847 9.41745 8.10227 7.8865 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 7.54282 7.53125 9.90986 9.61029 7.11305 9.7522 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 6.86391 11.0716 7.61923 7.16036 6.16718 9.96265 numMergedOcc 0
3 mol 44 unq 1 iso 0 dist 6.86391 7.93542 5.11941 7.16036 6.16718 9.70459 numMergedOcc 0
4 mol 44 unq 2 iso 0 dist 6.86391 4.61354 5.84744 7.16036 6.16718 7.78905 numMergedOcc 0
5 mol 71 unq 0 iso 0 dist 5.21993 8.95258 9.47964 11.4919 11.9362 9.50139 numMergedOcc 0
6 mol 71 unq 1 iso 0 dist 5.73879 5.91587 9.47964 12.9884 11.9362 9.50139 numMergedOcc 0
7 mol 98 unq 0 iso 0 dist 9.29692 11.7413 8.3505 10.6124 3.9764 5.9747 numMergedOcc 0
8 mol 98 unq 1 iso 0 dist 9.29532 11.7413 7.34638 10.6124 7.03983 5.9747 numMergedOcc 0
9 mol 98 unq 2 iso 0 dist 9.29532 12.9428 6.0995 10.6124 7.03983 4.50572 numMergedOcc 0
10 mol 98 unq 3 iso 0 dist 8.71558 16.3787 8.3505 10.671 3.9764 5.9747 numMergedOcc 0
11 mol 117 unq 0 iso 0 dist 8.00954 5.03891 6.78655 10.0226 3.55765 6.90827 numMergedOcc 0
12 mol 117 unq 1 iso 0 dist 8.00954 9.23637 9.42037 10.0226 3.55765 8.90977 numMergedOcc 0
13 mol 119 unq 0 iso 0 dist 7.79263 5.20786 5.90003 11.6835 6.30721 7.91337 numMergedOcc 0
14 mol 119 unq 1 iso 0 dist 7.79263 5.20786 5.90003 11.2945 10.5082 6.40546 numMergedOcc 0
15 mol 171 unq 0 iso 0 dist 8.83844 7.58118 6.51523 13.214 7.5383 6.07091 numMergedOcc 0
16 mol 238 unq 0 iso 0 dist 9.97859 6.89134 6.96382 14.7634 6.82305 9.66555 numMergedOcc 0
17 mol 292 unq 0 iso 0 dist 6.98961 9.57206 9.7061 6.8133 5.50627 5.75596 numMergedOcc 0
18 mol 292 unq 1 iso 0 dist 6.98961 9.57206 9.7061 16.0466 11.5965 9.11438 numMergedOcc 0
19 mol 292 unq 2 iso 0 dist 6.98961 9.57206 9.7061 17.3348 14.7162 8.37867 numMergedOcc 0
