0 mol 24 unq 0 iso 0 dist 7.61183 5.37421 7.7447 12.661 13.3652 8.24948 6.85527 9.30028 5.11636 6.72502 numMergedOcc 0
1 mol 26 unq 0 iso 0 dist 6.70325 4.80254 8.97754 10.171 12.4814 6.38243 5.71065 7.98005 7.11305 8.44506 numMergedOcc 0
2 mol 58 unq 0 iso 0 dist 9.33736 6.02257 9.10675 10.6202 6.21346 6.87028 5.72191 6.79356 4.00553 7.27383 numMergedOcc 0
3 mol 59 unq 0 iso 0 dist 8.988 4.45758 6.23509 11.3428 4.74563 7.17026 8.86989 9.45821 6.08003 8.64015 numMergedOcc 0
4 mol 93 unq 0 iso 0 dist 8.24402 4.85981 6.67678 9.49354 12.5638 7.8435 17.1598 21.9971 16.1023 9.81831 numMergedOcc 0
5 mol 93 unq 1 iso 0 dist 8.24402 4.85981 6.67678 9.49354 12.5638 7.8435 14.4552 18.9177 12.4934 9.12858 numMergedOcc 0
6 mol 93 unq 2 iso 0 dist 8.24402 4.85981 6.67678 9.49354 12.5638 7.8435 9.97171 17.12 10.8106 9.4523 numMergedOcc 0
7 mol 93 unq 3 iso 0 dist 9.44156 6.38065 7.24956 8.16531 12.4215 7.8435 14.5206 21.7795 16.1023 9.81831 numMergedOcc 0
8 mol 93 unq 4 iso 0 dist 9.44156 6.38065 7.24956 8.16531 12.4215 7.8435 10.2104 18.5963 12.4934 9.12858 numMergedOcc 0
9 mol 93 unq 5 iso 0 dist 9.44156 6.38065 7.24956 8.16531 12.4215 7.8435 12.7325 17.9688 10.8106 9.4523 numMergedOcc 0
10 mol 93 unq 6 iso 0 dist 7.14241 4.85981 8.28591 9.49354 5.99863 7.8435 17.1598 14.4051 16.1023 9.81831 numMergedOcc 0
11 mol 93 unq 7 iso 0 dist 7.14241 4.85981 8.28591 9.49354 5.99863 7.8435 14.4552 14.2439 12.4934 9.12858 numMergedOcc 0
12 mol 93 unq 8 iso 0 dist 7.14241 4.85981 8.28591 9.49354 5.99863 7.8435 9.97171 11.2863 10.8106 9.4523 numMergedOcc 0
13 mol 93 unq 9 iso 0 dist 7.14241 4.03764 5.35008 9.49354 5.99863 5.99269 17.1598 14.4051 13.1721 9.81831 numMergedOcc 0
14 mol 93 unq 10 iso 0 dist 7.14241 4.03764 5.35008 9.49354 5.99863 5.99269 14.4552 14.2439 11.0537 9.12858 numMergedOcc 0
15 mol 93 unq 11 iso 0 dist 7.14241 4.03764 5.35008 9.49354 5.99863 5.99269 9.97171 11.2863 7.14217 9.4523 numMergedOcc 0
16 mol 93 unq 12 iso 0 dist 7.14241 14.2411 8.30921 9.49354 5.99863 5.71763 17.1598 14.4051 9.34182 9.81831 numMergedOcc 0
17 mol 93 unq 13 iso 0 dist 7.14241 14.2411 8.30921 9.49354 5.99863 5.71763 14.4552 14.2439 12.0103 9.12858 numMergedOcc 0
18 mol 93 unq 14 iso 0 dist 7.14241 14.2411 8.30921 9.49354 5.99863 5.71763 9.97171 11.2863 12.9351 9.4523 numMergedOcc 0
19 mol 131 unq 0 iso 0 dist 7.34765 9.35007 8.49847 12.813 9.93041 6.78801 9.37758 11.6414 4.57579 9.15431 numMergedOcc 0
20 mol 131 unq 1 iso 0 dist 7.34765 9.35007 8.49847 12.813 9.93041 6.78801 15.2055 15.2551 8.57203 6.92648 numMergedOcc 0
21 mol 131 unq 2 iso 0 dist 7.34765 9.35007 8.49847 12.813 9.93041 6.78801 20.7238 18.8134 12.6005 9.29384 numMergedOcc 0
22 mol 171 unq 0 iso 0 dist 8.82481 5.35456 9.68512 5.14185 11.6193 8.999 5.09291 11.9039 4.00127 9.11712 numMergedOcc 0
23 mol 186 unq 0 iso 0 dist 8.35588 11.3698 5.81881 10.754 6.3786 7.04815 5.5366 10.0218 13.6744 9.83476 numMergedOcc 0
24 mol 222 unq 0 iso 0 dist 9.99638 4.54951 9.79673 10.9165 9.06039 7.97027 12.1825 16.7372 9.01393 9.2581 numMergedOcc 0
25 mol 222 unq 1 iso 0 dist 9.99638 4.54951 9.79673 10.9165 9.06039 7.97027 14.4913 16.4436 13.3586 9.62632 numMergedOcc 0
26 mol 222 unq 2 iso 0 dist 9.99638 4.54951 9.79673 10.9165 9.06039 7.97027 8.47937 11.04 8.84507 7.862 numMergedOcc 0
27 mol 251 unq 0 iso 0 dist 7.90148 4.66259 7.72528 9.07567 10.3735 6.42747 4.78481 11.6079 4.86046 8.01198 numMergedOcc 0
28 mol 251 unq 1 iso 0 dist 9.49019 14.1642 7.72528 16.4966 10.3735 6.42747 15.3351 11.6079 4.86046 8.01198 numMergedOcc 0
