0 mol 43 unq 0 iso 0 dist 8.06275 5.71662 9.74445 5.5249 8.80331 10.323 10.4413 6.20293 14.445 8.13395 numMergedOcc 0
1 mol 43 unq 0 iso 1 dist 8.06275 5.71662 9.74445 10.4413 6.20293 14.445 5.5249 8.80331 10.323 8.13395 numMergedOcc 0
2 mol 43 unq 1 iso 0 dist 8.90024 18.5048 9.74445 13.9129 8.80331 10.323 5.84171 6.20293 14.445 8.13395 numMergedOcc 0
3 mol 43 unq 1 iso 1 dist 8.90024 18.5048 9.74445 5.84171 6.20293 14.445 13.9129 8.80331 10.323 8.13395 numMergedOcc 0
4 mol 61 unq 0 iso 0 dist 5.50504 5.25196 9.62468 7.62418 6.65721 10.7369 6.53977 6.72123 11.5608 6.86346 numMergedOcc 0
5 mol 61 unq 0 iso 1 dist 5.50504 5.25196 9.62468 6.53977 6.72123 11.5608 7.62418 6.65721 10.7369 6.86346 numMergedOcc 0
6 mol 61 unq 1 iso 0 dist 5.50504 6.97911 5.92705 7.62418 6.65721 5.4671 6.53977 6.72123 10.1513 6.86346 numMergedOcc 0
7 mol 61 unq 1 iso 1 dist 5.50504 6.97911 5.92705 6.53977 6.72123 10.1513 7.62418 6.65721 5.4671 6.86346 numMergedOcc 0
8 mol 92 unq 0 iso 0 dist 9.8079 11.4622 4.98104 5.182 7.4729 10.7572 10.571 6.82344 5.50764 8.95922 numMergedOcc 0
9 mol 92 unq 0 iso 1 dist 9.8079 11.4622 4.98104 10.571 6.82344 5.50764 5.182 7.4729 10.7572 8.95922 numMergedOcc 0
10 mol 92 unq 1 iso 0 dist 8.3558 5.38868 4.98104 15.1474 7.4729 10.7572 8.66262 6.82344 5.50764 8.95922 numMergedOcc 0
11 mol 92 unq 1 iso 1 dist 8.3558 5.38868 4.98104 8.66262 6.82344 5.50764 15.1474 7.4729 10.7572 8.95922 numMergedOcc 0
12 mol 133 unq 0 iso 0 dist 7.5055 7.43569 9.4473 10.9541 8.22656 15.4455 5.61003 6.82262 11.1611 5.61668 numMergedOcc 0
13 mol 133 unq 0 iso 1 dist 7.5055 7.43569 9.4473 5.61003 6.82262 11.1611 10.9541 8.22656 15.4455 5.61668 numMergedOcc 0
14 mol 142 unq 0 iso 0 dist 8.86346 7.25495 7.57458 16.7609 9.2313 13.1936 13.5268 7.73169 12.288 5.50998 numMergedOcc 0
15 mol 142 unq 0 iso 1 dist 8.86346 7.25495 7.57458 13.5268 7.73169 12.288 16.7609 9.2313 13.1936 5.50998 numMergedOcc 0
16 mol 142 unq 1 iso 0 dist 8.86346 7.25495 7.57458 16.7609 9.2313 13.1936 12.1759 8.96657 14.2067 11.1395 numMergedOcc 0
17 mol 142 unq 1 iso 1 dist 8.86346 7.25495 7.57458 12.1759 8.96657 14.2067 16.7609 9.2313 13.1936 11.1395 numMergedOcc 0
18 mol 142 unq 1 iso 0 dist 8.86346 7.25495 7.57458 13.5268 7.73169 12.288 12.1759 8.96657 14.2067 5.92693 numMergedOcc 0
19 mol 142 unq 1 iso 1 dist 8.86346 7.25495 7.57458 12.1759 8.96657 14.2067 13.5268 7.73169 12.288 5.92693 numMergedOcc 0
20 mol 142 unq 2 iso 0 dist 4.93681 5.20379 7.57458 12.8283 9.2313 13.1936 10.1677 7.73169 12.288 5.50998 numMergedOcc 0
21 mol 142 unq 2 iso 1 dist 4.93681 5.20379 7.57458 10.1677 7.73169 12.288 12.8283 9.2313 13.1936 5.50998 numMergedOcc 0
22 mol 142 unq 3 iso 0 dist 4.93681 5.20379 7.57458 12.8283 9.2313 13.1936 10.0866 8.96657 14.2067 11.1395 numMergedOcc 0
23 mol 142 unq 3 iso 1 dist 4.93681 5.20379 7.57458 10.0866 8.96657 14.2067 12.8283 9.2313 13.1936 11.1395 numMergedOcc 0
24 mol 142 unq 3 iso 0 dist 4.93681 5.20379 7.57458 10.1677 7.73169 12.288 10.0866 8.96657 14.2067 5.92693 numMergedOcc 0
25 mol 142 unq 3 iso 1 dist 4.93681 5.20379 7.57458 10.0866 8.96657 14.2067 10.1677 7.73169 12.288 5.92693 numMergedOcc 0
26 mol 152 unq 0 iso 0 dist 8.34839 5.80854 9.10619 5.65129 8.56324 9.66339 10.5295 6.70283 13.9994 7.65448 numMergedOcc 0
27 mol 152 unq 0 iso 1 dist 8.34839 5.80854 9.10619 10.5295 6.70283 13.9994 5.65129 8.56324 9.66339 7.65448 numMergedOcc 0
28 mol 152 unq 1 iso 0 dist 8.34839 5.80854 9.10619 5.65129 8.56324 9.66339 10.7929 7.16148 14.2552 10.6875 numMergedOcc 0
29 mol 152 unq 1 iso 1 dist 8.34839 5.80854 9.10619 10.7929 7.16148 14.2552 5.65129 8.56324 9.66339 10.6875 numMergedOcc 0
30 mol 152 unq 1 iso 0 dist 8.34839 5.80854 9.10619 10.5295 6.70283 13.9994 10.7929 7.16148 14.2552 5.49936 numMergedOcc 0
31 mol 152 unq 1 iso 1 dist 8.34839 5.80854 9.10619 10.7929 7.16148 14.2552 10.5295 6.70283 13.9994 5.49936 numMergedOcc 0
32 mol 178 unq 0 iso 0 dist 8.04723 6.1397 8.0974 14.4072 6.69288 12.2822 13.0519 6.43573 12.4338 5.34677 numMergedOcc 0
33 mol 178 unq 0 iso 1 dist 8.04723 6.1397 8.0974 13.0519 6.43573 12.4338 14.4072 6.69288 12.2822 5.34677 numMergedOcc 0
34 mol 178 unq 1 iso 0 dist 8.04723 6.1397 8.0974 14.4072 6.69288 12.2822 10.5681 7.17202 13.9722 11.7381 numMergedOcc 0
35 mol 178 unq 1 iso 1 dist 8.04723 6.1397 8.0974 10.5681 7.17202 13.9722 14.4072 6.69288 12.2822 11.7381 numMergedOcc 0
36 mol 178 unq 2 iso 0 dist 8.04723 6.1397 8.0974 14.4072 6.69288 12.2822 9.1499 8.81551 13.5599 14.0703 numMergedOcc 0
37 mol 178 unq 2 iso 1 dist 8.04723 6.1397 8.0974 9.1499 8.81551 13.5599 14.4072 6.69288 12.2822 14.0703 numMergedOcc 0
38 mol 178 unq 1 iso 0 dist 8.04723 6.1397 8.0974 13.0519 6.43573 12.4338 10.5681 7.17202 13.9722 9.89739 numMergedOcc 0
39 mol 178 unq 1 iso 1 dist 8.04723 6.1397 8.0974 10.5681 7.17202 13.9722 13.0519 6.43573 12.4338 9.89739 numMergedOcc 0
40 mol 178 unq 2 iso 0 dist 8.04723 6.1397 8.0974 13.0519 6.43573 12.4338 9.1499 8.81551 13.5599 10.5529 numMergedOcc 0
41 mol 178 unq 2 iso 1 dist 8.04723 6.1397 8.0974 9.1499 8.81551 13.5599 13.0519 6.43573 12.4338 10.5529 numMergedOcc 0
42 mol 178 unq 2 iso 0 dist 8.04723 6.1397 8.0974 10.5681 7.17202 13.9722 9.1499 8.81551 13.5599 5.18005 numMergedOcc 0
43 mol 178 unq 2 iso 1 dist 8.04723 6.1397 8.0974 9.1499 8.81551 13.5599 10.5681 7.17202 13.9722 5.18005 numMergedOcc 0
44 mol 205 unq 0 iso 0 dist 8.57514 8.21257 8.43584 5.56395 9.61492 12.4616 12.397 7.45763 10.6123 11.8283 numMergedOcc 0
45 mol 205 unq 0 iso 1 dist 8.57514 8.21257 8.43584 12.397 7.45763 10.6123 5.56395 9.61492 12.4616 11.8283 numMergedOcc 0
46 mol 205 unq 1 iso 0 dist 6.11505 5.03046 8.43584 9.35174 9.61492 12.4616 11.3225 7.45763 10.6123 11.8283 numMergedOcc 0
47 mol 205 unq 1 iso 1 dist 6.11505 5.03046 8.43584 11.3225 7.45763 10.6123 9.35174 9.61492 12.4616 11.8283 numMergedOcc 0
48 mol 220 unq 0 iso 0 dist 8.14644 14.5536 7.31105 12.2116 9.23153 14.6296 12.2916 8.24498 9.52692 10.5449 numMergedOcc 0
49 mol 220 unq 0 iso 1 dist 8.14644 14.5536 7.31105 12.2916 8.24498 9.52692 12.2116 9.23153 14.6296 10.5449 numMergedOcc 0
50 mol 248 unq 0 iso 0 dist 7.40475 11.0674 8.71859 7.63032 7.69895 4.53213 6.42334 7.21521 6.33032 5.55137 numMergedOcc 0
51 mol 248 unq 0 iso 1 dist 7.40475 11.0674 8.71859 6.42334 7.21521 6.33032 7.63032 7.69895 4.53213 5.55137 numMergedOcc 0
52 mol 248 unq 1 iso 0 dist 7.40475 11.0674 8.71859 7.63032 7.69895 4.53213 6.86606 8.2965 11.762 10.8081 numMergedOcc 0
53 mol 248 unq 1 iso 1 dist 7.40475 11.0674 8.71859 6.86606 8.2965 11.762 7.63032 7.69895 4.53213 10.8081 numMergedOcc 0
54 mol 248 unq 1 iso 0 dist 7.40475 11.0674 8.71859 6.42334 7.21521 6.33032 6.86606 8.2965 11.762 5.86196 numMergedOcc 0
55 mol 248 unq 1 iso 1 dist 7.40475 11.0674 8.71859 6.86606 8.2965 11.762 6.42334 7.21521 6.33032 5.86196 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 9.13226 11.0263 9.696 10.7073 7.56915 10.7962 11.3302 8.49997 5.1874 6.33073 numMergedOcc 0
57 mol 274 unq 0 iso 1 dist 9.13226 11.0263 9.696 11.3302 8.49997 5.1874 10.7073 7.56915 10.7962 6.33073 numMergedOcc 0
