0 mol 7 unq 0 iso 0 dist 8.41585 9.68596 14.7759 9.0379 16.7601 6.7985 10.7018 15.8782 6.14349 6.44736 numMergedOcc 0
1 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 15.5315 15.5324 8.4051 20.9738 21.8521 14.1082 8.23446 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 15.5315 15.5324 8.4051 15.8209 13.4893 9.62033 8.75662 numMergedOcc 0
3 mol 24 unq 2 iso 0 dist 6.86014 7.29868 8.52463 10.0952 8.86116 8.60554 16.1126 10.971 14.1496 8.44664 numMergedOcc 0
4 mol 24 unq 3 iso 0 dist 6.86014 7.29868 8.52463 10.0952 8.86116 8.60554 15.8209 13.4893 9.62033 9.44691 numMergedOcc 0
5 mol 24 unq 4 iso 0 dist 6.86014 9.41441 6.66749 11.4989 11.0194 6.73939 18.2647 19.5098 15.0804 8.70827 numMergedOcc 0
6 mol 24 unq 5 iso 0 dist 8.86116 8.60554 8.52463 14.6259 15.5324 8.4051 17.6854 21.8521 14.1082 8.23446 numMergedOcc 0
7 mol 24 unq 6 iso 0 dist 8.86116 8.60554 8.52463 14.6259 15.5324 8.4051 9.44691 13.4893 9.62033 8.75662 numMergedOcc 0
8 mol 24 unq 7 iso 0 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 13.4393 8.67951 6.16544 9.01567 numMergedOcc 0
9 mol 24 unq 8 iso 0 dist 8.86116 8.60554 8.52463 10.0952 6.86014 7.29868 12.9284 4.32034 10.2653 7.33768 numMergedOcc 0
10 mol 24 unq 9 iso 0 dist 8.86116 9.44691 13.4893 14.6259 15.5324 8.75662 8.60554 8.52463 9.62033 8.4051 numMergedOcc 0
11 mol 24 unq 10 iso 0 dist 8.86116 9.44691 13.4893 14.6259 15.5324 8.75662 17.6854 21.8521 11.342 8.23446 numMergedOcc 0
12 mol 24 unq 11 iso 0 dist 8.86116 9.41441 14.012 11.4989 13.2433 6.73939 18.2647 18.8774 15.0804 8.70827 numMergedOcc 0
13 mol 24 unq 12 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 17.6854 23.0656 14.1082 8.23446 numMergedOcc 0
14 mol 24 unq 13 iso 0 dist 8.38394 8.60554 12.3994 14.6259 17.8264 8.4051 9.44691 12.505 9.62033 8.75662 numMergedOcc 0
15 mol 24 unq 14 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 13.4393 13.6595 6.16544 9.01567 numMergedOcc 0
16 mol 24 unq 15 iso 0 dist 8.38394 8.60554 12.3994 10.0952 12.5077 7.29868 12.9284 10.1325 10.2653 7.33768 numMergedOcc 0
17 mol 24 unq 16 iso 0 dist 8.38394 9.44691 12.505 14.6259 17.8264 8.75662 8.60554 12.3994 9.62033 8.4051 numMergedOcc 0
18 mol 24 unq 17 iso 0 dist 8.38394 9.44691 12.505 14.6259 17.8264 8.75662 17.6854 23.0656 11.342 8.23446 numMergedOcc 0
19 mol 24 unq 18 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 9.83002 4.50066 6.16544 9.01567 numMergedOcc 0
20 mol 24 unq 19 iso 0 dist 5.54419 8.4051 5.11617 15.5315 11.0194 7.29868 16.8439 11.9112 10.2653 7.33768 numMergedOcc 0
21 mol 24 unq 20 iso 0 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 17.8725 17.1059 14.1496 8.44664 numMergedOcc 0
22 mol 24 unq 21 iso 0 dist 5.54419 8.4051 5.11617 14.6259 13.2433 8.60554 8.75662 10.8238 9.62033 9.44691 numMergedOcc 0
23 mol 24 unq 22 iso 0 dist 5.54419 8.75662 10.8238 14.6259 13.2433 9.44691 8.4051 5.11617 9.62033 8.60554 numMergedOcc 0
24 mol 24 unq 23 iso 0 dist 5.54419 8.75662 10.8238 14.6259 13.2433 9.44691 17.8725 17.1059 10.4263 8.44664 numMergedOcc 0
25 mol 24 unq 24 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 9.83002 16.0443 6.16544 9.01567 numMergedOcc 0
26 mol 24 unq 25 iso 0 dist 7.36323 8.4051 13.2229 15.5315 20.3888 7.29868 16.8439 21.6951 10.2653 7.33768 numMergedOcc 0
27 mol 24 unq 26 iso 0 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 17.8725 17.0288 14.1496 8.44664 numMergedOcc 0
28 mol 24 unq 27 iso 0 dist 7.36323 8.4051 13.2229 14.6259 15.5296 8.60554 8.75662 6.7828 9.62033 9.44691 numMergedOcc 0
29 mol 24 unq 28 iso 0 dist 7.36323 8.75662 6.7828 14.6259 15.5296 9.44691 8.4051 13.2229 9.62033 8.60554 numMergedOcc 0
30 mol 24 unq 29 iso 0 dist 7.36323 8.75662 6.7828 14.6259 15.5296 9.44691 17.8725 17.0288 10.4263 8.44664 numMergedOcc 0
31 mol 24 unq 30 iso 0 dist 7.36323 9.12854 5.59311 12.3067 5.54419 8.70827 18.673 12.176 15.0804 6.73939 numMergedOcc 0
32 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 10.9391 11.9561 6.16347 16.8925 19.1927 12.7398 7.92503 numMergedOcc 0
33 mol 25 unq 1 iso 0 dist 7.57578 6.16347 9.34396 10.9391 12.7009 7.45383 13.8469 10.5328 12.6805 9.01548 numMergedOcc 0
34 mol 25 unq 2 iso 0 dist 7.17969 6.16347 10.8498 10.9391 12.8117 7.45383 13.8469 10.4337 12.6805 9.01548 numMergedOcc 0
35 mol 25 unq 3 iso 0 dist 7.31767 8.6653 5.64303 10.6808 12.4135 7.92503 16.0183 17.14 12.7398 6.16347 numMergedOcc 0
36 mol 25 unq 4 iso 0 dist 6.03987 8.6653 5.82503 10.6808 11.6743 7.92503 16.0183 17.3842 12.7398 6.16347 numMergedOcc 0
37 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 5.88134 6.65086 8.30845 10.0635 12.3577 13.3504 8.76378 numMergedOcc 0
38 mol 100 unq 1 iso 0 dist 7.17106 7.01812 8.4128 5.88134 10.5134 8.30845 10.0635 9.15365 13.3504 8.76378 numMergedOcc 0
39 mol 100 unq 2 iso 0 dist 9.35224 7.01812 10.0456 5.88134 6.56369 8.30845 10.0635 4.97045 13.3504 8.76378 numMergedOcc 0
40 mol 119 unq 0 iso 0 dist 9.87172 9.11344 10.9441 4.85907 12.6489 6.52773 12.7677 20.1288 12.3703 9.23858 numMergedOcc 0
41 mol 125 unq 0 iso 0 dist 8.62381 7.73435 7.43922 5.20403 12.7528 8.76789 9.3778 11.0769 4.38093 9.08382 numMergedOcc 0
42 mol 125 unq 1 iso 0 dist 8.62381 9.3778 11.0769 5.20403 12.7528 9.08382 7.73435 7.43922 4.38093 8.76789 numMergedOcc 0
43 mol 130 unq 0 iso 0 dist 9.28393 7.96646 6.73735 10.7116 12.2375 7.90048 17.6058 12.9369 12.2217 9.99802 numMergedOcc 0
44 mol 156 unq 0 iso 0 dist 7.66148 7.90267 6.03934 5.56175 12.0598 9.44367 14.7758 20.4217 16.7026 9.47433 numMergedOcc 0
45 mol 156 unq 1 iso 0 dist 8.94056 7.90267 5.4555 5.56175 7.44554 9.44367 14.7758 11.9952 16.7026 9.47433 numMergedOcc 0
46 mol 181 unq 0 iso 0 dist 9.1374 6.2479 6.6251 8.88798 5.98885 7.99195 14.2254 5.6044 12.1167 9.72611 numMergedOcc 0
47 mol 181 unq 1 iso 0 dist 8.03334 6.2479 7.81713 8.88798 10.7062 7.99195 14.2254 18.696 12.1167 9.72611 numMergedOcc 0
48 mol 181 unq 2 iso 0 dist 7.81386 9.39829 7.20191 8.85576 7.63312 6.41453 10.4943 5.63555 9.53592 5.9176 numMergedOcc 0
49 mol 206 unq 0 iso 0 dist 8.02137 7.75885 12.7604 5.63422 11.1804 6.16414 11.4872 14.0857 6.46458 7.33701 numMergedOcc 0
50 mol 206 unq 1 iso 0 dist 8.02137 7.75885 12.7604 5.63422 11.1804 6.16414 13.2041 15.6122 9.9892 8.0871 numMergedOcc 0
51 mol 206 unq 2 iso 0 dist 9.774 7.75885 6.45859 5.63422 7.7366 6.16414 11.4872 4.40897 6.46458 7.33701 numMergedOcc 0
52 mol 206 unq 3 iso 0 dist 9.774 7.75885 6.45859 5.63422 7.7366 6.16414 13.2041 7.62219 9.9892 8.0871 numMergedOcc 0
53 mol 227 unq 0 iso 0 dist 7.09863 6.02296 6.35849 4.39704 7.22101 7.43071 9.74265 10.9607 11.362 5.41321 numMergedOcc 0
54 mol 235 unq 0 iso 0 dist 5.4638 9.55668 7.60081 9.89669 11.3258 6.95126 16.0017 16.707 10.2834 6.21292 numMergedOcc 0
55 mol 238 unq 0 iso 0 dist 5.72887 9.24557 14.7883 10.0191 13.5431 7.57812 12.9364 17.6692 6.25098 8.69104 numMergedOcc 0
56 mol 274 unq 0 iso 0 dist 7.56915 8.52587 5.29529 11.3308 11.3168 6.39866 15.461 15.2532 10.7637 9.45514 numMergedOcc 0
