0 mol 17 unq 0 iso 0 dist 8.19749 9.99682 8.15305 9.55169 9.91781 16.8919 numMergedOcc 0
1 mol 17 unq 1 iso 0 dist 8.19749 9.99682 8.15305 9.45609 11.2397 4.52169 numMergedOcc 0
2 mol 17 unq 2 iso 0 dist 8.19749 9.38298 14.049 9.55169 9.91781 13.5023 numMergedOcc 0
3 mol 17 unq 3 iso 0 dist 8.19749 9.38298 14.049 9.45609 11.2397 14.3796 numMergedOcc 0
4 mol 25 unq 0 iso 0 dist 9.58408 7.03345 10.9517 9.27448 13.804 10.9099 numMergedOcc 0
5 mol 25 unq 1 iso 0 dist 9.58408 7.03345 10.9517 9.07927 16.653 9.39124 numMergedOcc 0
6 mol 25 unq 2 iso 0 dist 9.58408 7.03345 10.9517 8.50987 16.4918 7.11047 numMergedOcc 0
7 mol 25 unq 3 iso 0 dist 9.58408 5.2296 6.07834 9.27448 13.804 11.1747 numMergedOcc 0
8 mol 25 unq 4 iso 0 dist 9.58408 5.2296 6.07834 9.07927 16.653 11.898 numMergedOcc 0
9 mol 25 unq 5 iso 0 dist 9.58408 5.2296 6.07834 8.50987 16.4918 10.7715 numMergedOcc 0
10 mol 32 unq 0 iso 0 dist 7.59933 9.63542 4.75331 8.88829 10.0517 8.67041 numMergedOcc 0
11 mol 98 unq 0 iso 0 dist 3.90209 7.40481 10.386 9.58693 12.3572 4.75433 numMergedOcc 0
12 mol 98 unq 1 iso 0 dist 3.90209 7.40481 10.386 9.48388 7.71768 16.7643 numMergedOcc 0
13 mol 100 unq 0 iso 0 dist 5.72842 9.25746 7.2371 7.02792 7.68675 4.95357 numMergedOcc 0
14 mol 114 unq 0 iso 0 dist 5.09285 8.14574 8.76178 7.91231 4.24853 11.1664 numMergedOcc 0
15 mol 186 unq 0 iso 0 dist 6.03801 8.39237 8.24186 5.47189 8.61343 13.4775 numMergedOcc 0
16 mol 213 unq 0 iso 0 dist 6.07688 4.85533 8.39486 8.67044 5.29742 7.76105 numMergedOcc 0
17 mol 228 unq 0 iso 0 dist 9.87391 8.27678 10.3267 8.89311 6.85879 4.83458 numMergedOcc 0
18 mol 228 unq 1 iso 0 dist 9.94292 8.26664 9.40554 8.81885 8.77278 4.84511 numMergedOcc 0
19 mol 228 unq 2 iso 0 dist 9.79674 8.73196 10.6813 9.51602 6.03966 5.34643 numMergedOcc 0
20 mol 228 unq 3 iso 0 dist 9.79674 9.68484 9.40554 9.51602 6.03966 9.98626 numMergedOcc 0
21 mol 228 unq 4 iso 0 dist 9.53671 8.26664 10.3434 8.81885 6.97488 4.84511 numMergedOcc 0
22 mol 228 unq 5 iso 0 dist 9.72673 8.27678 9.46822 8.89311 8.80311 4.83458 numMergedOcc 0
23 mol 228 unq 6 iso 0 dist 9.82472 9.75578 9.46822 9.46214 6.25423 10.0045 numMergedOcc 0
24 mol 228 unq 7 iso 0 dist 9.82472 8.52422 10.8195 9.46214 6.25423 5.34702 numMergedOcc 0
25 mol 233 unq 0 iso 0 dist 7.67027 5.9677 8.47654 4.94074 9.8029 4.80704 numMergedOcc 0
26 mol 241 unq 0 iso 0 dist 8.67571 8.92649 5.4733 5.57621 10.0597 12.7003 numMergedOcc 0
27 mol 253 unq 0 iso 0 dist 9.4691 8.08267 5.89504 5.27188 9.23512 5.32928 numMergedOcc 0
28 mol 258 unq 0 iso 0 dist 8.65727 6.95552 10.6916 8.26503 6.11415 6.96581 numMergedOcc 0
29 mol 258 unq 1 iso 0 dist 8.65727 6.95552 10.6916 9.80417 15.3755 5.38982 numMergedOcc 0
30 mol 271 unq 0 iso 0 dist 7.88092 8.56431 10.0049 7.59727 5.31774 5.49799 numMergedOcc 0
31 mol 275 unq 0 iso 0 dist 9.80175 9.88669 7.67399 9.94511 8.14605 5.32804 numMergedOcc 0
32 mol 276 unq 0 iso 0 dist 5.16952 7.64844 5.99976 6.97104 6.33662 6.91945 numMergedOcc 0
33 mol 279 unq 0 iso 0 dist 9.65416 8.36667 11.9196 9.60619 5.31331 9.98703 numMergedOcc 0
34 mol 279 unq 1 iso 0 dist 9.65416 6.74021 8.87149 9.60619 5.31331 11.6718 numMergedOcc 0
35 mol 292 unq 0 iso 0 dist 8.85233 9.21126 8.16859 6.07571 9.38462 8.50714 numMergedOcc 0
36 mol 292 unq 1 iso 0 dist 7.06322 9.21126 5.82472 6.07571 5.81799 8.50714 numMergedOcc 0
