0 mol 30 unq 0 iso 0 dist 6.40398 5.71014 6.0015 7.92586 12.0238 8.85178 numMergedOcc 0
1 mol 68 unq 0 iso 0 dist 5.94459 8.44761 13.7484 7.51631 13.0221 3.56619 numMergedOcc 0
2 mol 68 unq 1 iso 0 dist 5.94459 6.81124 11.9362 7.51631 13.0221 6.23171 numMergedOcc 0
3 mol 70 unq 0 iso 0 dist 9.33262 5.76805 8.75516 9.87737 16.6291 10.0384 numMergedOcc 0
4 mol 70 unq 1 iso 0 dist 9.33262 5.76805 8.75516 6.7303 13.2887 6.36433 numMergedOcc 0
5 mol 92 unq 0 iso 0 dist 7.05954 6.15011 8.0763 4.96173 8.75014 3.79182 numMergedOcc 0
6 mol 109 unq 0 iso 0 dist 8.39026 8.51206 10.9279 8.85675 9.65072 4.8632 numMergedOcc 0
7 mol 112 unq 0 iso 0 dist 5.9819 8.65004 5.91698 6.79584 4.25001 7.45152 numMergedOcc 0
8 mol 112 unq 1 iso 0 dist 5.9819 9.86487 15.0784 6.79584 4.25001 16.6124 numMergedOcc 0
9 mol 128 unq 0 iso 0 dist 9.23513 9.95168 4.58658 7.12662 7.698 10.5341 numMergedOcc 0
10 mol 128 unq 1 iso 0 dist 9.23513 9.95168 4.58658 9.38 12.5502 15.3866 numMergedOcc 0
11 mol 128 unq 2 iso 0 dist 7.90691 4.89256 5.19611 7.66528 4.21194 6.30769 numMergedOcc 0
12 mol 128 unq 3 iso 0 dist 8.83011 4.89256 4.68499 7.66528 9.46982 6.30769 numMergedOcc 0
13 mol 130 unq 0 iso 0 dist 9.36312 7.35647 6.85776 6.90456 3.91348 3.90693 numMergedOcc 0
14 mol 186 unq 0 iso 0 dist 6.59729 8.34668 6.71237 8.86574 9.42515 15.131 numMergedOcc 0
15 mol 186 unq 1 iso 0 dist 6.59729 8.76308 5.91678 8.86574 9.42515 5.39534 numMergedOcc 0
16 mol 195 unq 0 iso 0 dist 8.22643 5.0778 6.74112 9.33055 11.5264 9.70528 numMergedOcc 0
17 mol 198 unq 0 iso 0 dist 5.33789 6.73371 9.86517 5.84588 5.45278 5.92533 numMergedOcc 0
18 mol 198 unq 1 iso 0 dist 5.33789 6.73371 9.86517 9.36442 6.59269 10.1833 numMergedOcc 0
19 mol 206 unq 0 iso 0 dist 8.65572 9.24801 15.7583 8.42431 15.8594 8.90838 numMergedOcc 0
20 mol 206 unq 1 iso 0 dist 8.39332 9.24801 6.24602 8.42431 13.0074 8.90838 numMergedOcc 0
21 mol 214 unq 0 iso 0 dist 9.11795 6.90717 7.29498 6.26596 5.92503 4.05067 numMergedOcc 0
22 mol 226 unq 0 iso 0 dist 6.06276 9.37981 10.1826 7.00922 5.89873 9.48693 numMergedOcc 0
23 mol 230 unq 0 iso 0 dist 6.47064 5.75445 6.0456 8.32382 12.1428 8.76971 numMergedOcc 0
24 mol 270 unq 0 iso 0 dist 6.87859 6.97639 5.47584 8.93961 11.5539 9.06597 numMergedOcc 0
25 mol 270 unq 1 iso 0 dist 6.87859 6.97639 5.47584 7.96508 6.03752 6.72549 numMergedOcc 0
26 mol 281 unq 0 iso 0 dist 6.42743 9.42297 14.5663 7.8046 11.7851 3.78169 numMergedOcc 0
27 mol 292 unq 0 iso 0 dist 9.65173 9.01292 4.92408 8.49016 8.15988 9.67354 numMergedOcc 0
