0 mol 11 unq 0 iso 0 dist 9.76481 8.85204 14.2436 16.1915 9.91523 19.4102 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 9.01993 7.39066 6.36636 16.0115 9.82851 10.2035 numMergedOcc 0
2 mol 44 unq 0 iso 0 dist 9.91882 9.26518 8.28169 7.24424 9.14809 13.1502 numMergedOcc 0
3 mol 68 unq 0 iso 0 dist 8.44761 7.51631 3.56619 8.24064 9.87699 7.7485 numMergedOcc 0
4 mol 128 unq 0 iso 0 dist 4.89256 7.66528 6.30769 5.43682 7.4442 6.08651 numMergedOcc 0
5 mol 169 unq 0 iso 0 dist 8.59976 7.07933 5.68902 15.445 7.85698 10.1862 numMergedOcc 0
6 mol 169 unq 1 iso 0 dist 8.59976 7.07933 5.68902 4.8357 8.75484 10.0159 numMergedOcc 0
7 mol 169 unq 2 iso 0 dist 9.71763 7.07933 3.83687 12.9917 5.41121 6.96715 numMergedOcc 0
8 mol 169 unq 3 iso 0 dist 9.71763 7.07933 3.83687 15.445 6.35799 10.1862 numMergedOcc 0
9 mol 184 unq 0 iso 0 dist 6.71675 9.98096 4.79971 9.24858 7.02762 11.5442 numMergedOcc 0
10 mol 184 unq 1 iso 0 dist 6.71675 8.24035 5.05856 9.24858 7.02762 11.2966 numMergedOcc 0
11 mol 184 unq 2 iso 0 dist 6.71675 8.77932 5.69882 9.24858 7.02762 8.53111 numMergedOcc 0
12 mol 198 unq 0 iso 0 dist 9.75046 7.25217 4.97547 6.88195 8.78623 10.0094 numMergedOcc 0
13 mol 198 unq 1 iso 0 dist 9.75046 9.07122 6.81043 6.88195 8.78623 10.1971 numMergedOcc 0
14 mol 198 unq 2 iso 0 dist 9.75046 9.84293 5.92533 6.88195 8.78623 7.38825 numMergedOcc 0
15 mol 198 unq 3 iso 0 dist 6.73371 5.84588 5.92533 5.73959 8.78623 7.38825 numMergedOcc 0
16 mol 198 unq 4 iso 0 dist 6.73371 9.36442 10.1833 5.73959 8.78623 10.317 numMergedOcc 0
17 mol 205 unq 0 iso 0 dist 6.79634 4.72209 4.76454 7.82495 7.13824 9.29842 numMergedOcc 0
18 mol 214 unq 0 iso 0 dist 6.90717 6.26596 4.05067 6.35783 9.06389 10.8477 numMergedOcc 0
19 mol 260 unq 0 iso 0 dist 4.76698 4.54064 3.60349 9.77348 6.49413 9.66527 numMergedOcc 0
20 mol 260 unq 1 iso 0 dist 4.76698 4.54064 3.60349 8.11438 6.12343 7.04263 numMergedOcc 0
21 mol 260 unq 2 iso 0 dist 4.76698 4.54064 3.60349 3.43932 4.52405 6.48099 numMergedOcc 0
22 mol 277 unq 0 iso 0 dist 7.64361 7.05489 10.646 7.69413 6.23115 12.8647 numMergedOcc 0
23 mol 281 unq 0 iso 0 dist 9.42297 7.8046 3.78169 7.60311 6.18742 7.90368 numMergedOcc 0
24 mol 281 unq 1 iso 0 dist 9.42297 7.8046 3.78169 11.1675 6.8089 9.46544 numMergedOcc 0
