0 mol 16 unq 0 iso 0 dist 5.05803 6.93532 5.30082 4.65873 6.57331 10.0132 5.01101 6.42835 5.94982 6.09368 11.6856 10.2656 6.51133 13.1847 7.65889 numMergedOcc 0
1 mol 16 unq 1 iso 0 dist 6.31718 6.93532 10.4366 4.65873 8.43054 10.0132 5.01101 11.0298 5.94982 6.09368 11.6856 16.4761 6.51133 13.1847 7.65889 numMergedOcc 0
2 mol 16 unq 2 iso 0 dist 6.31718 6.93532 10.4366 4.65873 8.43054 10.0132 5.01101 11.0298 5.94982 6.09368 5.05803 6.92781 5.30082 6.57331 6.42835 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 9.01567 8.67951 5.69214 7.95042 10.8068 8.91183 12.5088 6.19899 10.7501 11.0194 11.4989 4.50066 10.9113 5.68215 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.86014 7.29868 8.52463 5.69214 7.95042 5.80953 8.91183 12.5088 6.61696 10.7501 11.0194 11.4989 5.11617 10.9113 5.68215 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 8.86116 8.60554 8.52463 5.11636 7.95042 5.80953 14.8647 12.5088 6.61696 10.7501 13.2433 11.4989 5.11617 10.9113 5.68215 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 8.86116 9.44691 13.4893 5.11636 7.95042 11.7489 14.4081 17.9275 9.586 13.4516 15.5296 19.2131 6.7828 16.707 7.27472 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 5.54419 8.4051 5.11617 4.82629 6.6219 11.3231 13.6174 10.9113 5.80953 17.051 15.5324 11.4989 8.52463 17.6792 7.95042 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 5.54419 8.4051 5.11617 10.1698 5.68215 6.61696 13.6174 10.9113 5.80953 10.7501 15.5324 11.4989 8.52463 12.5088 7.95042 numMergedOcc 0
9 mol 24 unq 6 iso 0 dist 5.54419 8.23446 13.1779 4.82629 6.6219 11.3777 6.28159 10.4135 4.5711 8.28473 7.36323 12.3067 6.38336 11.0181 8.87744 numMergedOcc 0
10 mol 24 unq 7 iso 0 dist 5.54419 8.23446 13.1779 4.82629 6.6219 11.3777 5.50396 9.33482 4.44526 9.39954 7.36323 12.3067 6.38336 11.0181 7.27472 numMergedOcc 0
11 mol 24 unq 8 iso 0 dist 5.54419 8.23446 13.1779 10.1698 5.68215 16.1924 6.28159 10.4135 4.5711 12.6686 7.36323 12.3067 6.38336 17.003 8.87744 numMergedOcc 0
12 mol 24 unq 9 iso 0 dist 5.54419 8.23446 13.1779 10.1698 5.68215 16.1924 5.50396 9.33482 4.44526 11.9756 7.36323 12.3067 6.38336 17.003 7.27472 numMergedOcc 0
13 mol 24 unq 10 iso 0 dist 5.54419 8.75662 10.8238 4.82629 6.6219 13.0711 5.50396 9.33482 9.586 9.39954 7.36323 12.3067 6.7828 11.0181 7.27472 numMergedOcc 0
14 mol 24 unq 11 iso 0 dist 5.54419 8.75662 10.8238 10.1698 5.68215 15.3807 5.50396 9.33482 9.586 11.9756 7.36323 12.3067 6.7828 17.003 7.27472 numMergedOcc 0
15 mol 24 unq 12 iso 0 dist 7.36323 8.4051 13.2229 6.28159 8.87744 12.3034 10.1698 17.003 6.61696 12.6686 5.54419 12.3067 5.11617 10.4135 5.68215 numMergedOcc 0
16 mol 24 unq 13 iso 0 dist 7.36323 8.4051 13.2229 6.28159 8.87744 12.3034 13.6174 16.707 5.80953 16.5268 15.5324 19.2131 8.52463 20.5402 7.95042 numMergedOcc 0
17 mol 24 unq 14 iso 0 dist 7.36323 8.4051 13.2229 5.50396 7.27472 9.84204 10.1698 17.003 6.61696 11.9756 5.54419 12.3067 5.11617 9.33482 5.68215 numMergedOcc 0
18 mol 24 unq 15 iso 0 dist 7.36323 8.4051 13.2229 5.50396 7.27472 9.84204 13.6174 16.707 5.80953 13.4516 15.5324 19.2131 8.52463 17.9275 7.95042 numMergedOcc 0
19 mol 25 unq 0 iso 0 dist 5.04899 8.87757 5.77929 5.03027 7.52933 12.7995 13.6145 9.49421 6.53269 16.0628 11.9561 10.9391 6.08585 16.4232 9.48085 numMergedOcc 0
20 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 4.69295 6.55597 9.16515 13.6145 9.49421 6.53269 12.1732 11.9561 10.9391 6.08585 11.037 9.48085 numMergedOcc 0
21 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 12.2542 9.71956 11.5214 13.6145 9.49421 6.53269 8.99147 11.9561 10.9391 6.08585 14.581 9.48085 numMergedOcc 0
22 mol 25 unq 3 iso 0 dist 5.04899 8.87757 5.77929 8.79309 7.07751 9.82987 13.6145 9.49421 6.53269 9.54872 11.9561 10.9391 6.08585 13.0315 9.48085 numMergedOcc 0
23 mol 25 unq 4 iso 0 dist 5.04899 8.87757 5.77929 8.17061 8.23761 13.3492 13.6145 9.49421 6.53269 14.6175 11.9561 10.9391 6.08585 17.2964 9.48085 numMergedOcc 0
24 mol 25 unq 5 iso 0 dist 7.57578 8.50222 6.08585 10.2864 4.79873 9.35791 13.2447 11.037 9.16515 9.7883 12.7009 10.9391 5.77929 12.3944 6.55597 numMergedOcc 0
25 mol 25 unq 6 iso 0 dist 7.57578 8.50222 6.08585 10.2864 4.79873 9.35791 11.8139 13.0315 9.82987 13.1326 12.7009 10.9391 5.77929 12.3944 7.07751 numMergedOcc 0
26 mol 25 unq 7 iso 0 dist 7.57578 8.50222 6.08585 10.2864 4.79873 9.35791 5.18617 9.48085 6.53269 12.7147 12.7009 10.9391 5.77929 12.3944 9.49421 numMergedOcc 0
27 mol 25 unq 8 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 13.2447 11.037 9.16515 12.1732 12.7009 10.9391 5.77929 9.49421 6.55597 numMergedOcc 0
28 mol 25 unq 9 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 11.8139 13.0315 9.82987 9.54872 12.7009 10.9391 5.77929 9.49421 7.07751 numMergedOcc 0
29 mol 25 unq 10 iso 0 dist 7.17969 7.55264 6.08585 11.4148 4.79873 9.35791 14.9982 11.037 9.16515 9.7883 12.8117 10.9391 5.77929 12.3944 6.55597 numMergedOcc 0
30 mol 25 unq 11 iso 0 dist 7.17969 7.55264 6.08585 11.4148 4.79873 9.35791 14.1251 13.0315 9.82987 13.1326 12.8117 10.9391 5.77929 12.3944 7.07751 numMergedOcc 0
31 mol 25 unq 12 iso 0 dist 7.17969 7.55264 6.08585 11.4148 4.79873 9.35791 5.68041 9.48085 6.53269 12.7147 12.8117 10.9391 5.77929 12.3944 9.49421 numMergedOcc 0
32 mol 25 unq 13 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 14.9982 11.037 9.16515 12.1732 12.8117 10.9391 5.77929 9.49421 6.55597 numMergedOcc 0
33 mol 25 unq 14 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 14.1251 13.0315 9.82987 9.54872 12.8117 10.9391 5.77929 9.49421 7.07751 numMergedOcc 0
34 mol 58 unq 0 iso 0 dist 6.62496 8.80614 9.95364 9.87158 9.22598 9.01564 5.86526 9.55996 7.11065 6.20884 6.35756 4.81926 5.49591 8.96727 8.01308 numMergedOcc 0
35 mol 58 unq 1 iso 0 dist 6.35756 8.80614 5.49591 5.86526 8.01308 7.11065 9.87158 8.96727 9.01564 6.20884 6.62496 4.81926 9.95364 9.55996 9.22598 numMergedOcc 0
36 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 5.70116 9.73086 6.14542 6.20232 12.2276 8.96616 3.30399 6.19304 5.4148 6.56633 7.4369 8.68662 numMergedOcc 0
37 mol 73 unq 1 iso 0 dist 6.19304 9.24757 6.56633 6.20232 8.68662 8.96616 5.70116 7.4369 6.14542 3.30399 9.96396 5.4148 5.11416 12.2276 9.73086 numMergedOcc 0
38 mol 73 unq 2 iso 0 dist 8.70481 9.24757 15.3808 11.2069 5.5087 14.6027 6.20232 13.8931 8.96616 16.3057 6.19304 13.3558 6.56633 13.8368 8.68662 numMergedOcc 0
39 mol 73 unq 3 iso 0 dist 8.70481 9.24757 15.3808 11.2069 5.5087 14.6027 5.70116 12.8207 6.14542 14.2015 9.96396 14.9342 5.11416 13.3207 9.73086 numMergedOcc 0
40 mol 73 unq 4 iso 0 dist 8.70481 9.24757 15.3808 11.2069 5.5087 14.6027 5.70116 12.8207 6.14542 14.2015 6.19304 13.3558 6.56633 13.8368 7.4369 numMergedOcc 0
41 mol 73 unq 5 iso 0 dist 8.70481 9.24757 15.3808 10.6713 6.08682 13.8591 6.20232 13.8931 8.96616 14.162 6.19304 13.3558 6.56633 14.5999 8.68662 numMergedOcc 0
42 mol 73 unq 6 iso 0 dist 8.70481 9.24757 15.3808 10.6713 6.08682 13.8591 5.70116 12.8207 6.14542 12.1341 9.96396 14.9342 5.11416 14.498 9.73086 numMergedOcc 0
43 mol 73 unq 7 iso 0 dist 8.70481 9.24757 15.3808 10.6713 6.08682 13.8591 5.70116 12.8207 6.14542 12.1341 6.19304 13.3558 6.56633 14.5999 7.4369 numMergedOcc 0
44 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 10.4782 9.81956 8.46823 6.70343 17.4071 18.6405 16.4267 14.0897 9.64383 numMergedOcc 0
45 mol 98 unq 1 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 10.4782 9.81956 8.46823 6.70343 6.10456 8.40073 9.67482 5.2571 7.54889 numMergedOcc 0
46 mol 98 unq 2 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 10.4782 9.81956 8.46823 6.70343 10.1136 10.2427 12.0974 8.7497 7.78931 numMergedOcc 0
47 mol 98 unq 3 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 10.4782 10.8223 8.46823 6.70343 17.4071 14.7899 16.4267 14.0897 9.64383 numMergedOcc 0
48 mol 98 unq 4 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 10.4782 10.8223 8.46823 6.70343 6.10456 9.42358 9.67482 5.2571 7.54889 numMergedOcc 0
49 mol 98 unq 5 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 10.4782 10.8223 8.46823 6.70343 10.1136 13.9786 12.0974 8.7497 7.78931 numMergedOcc 0
50 mol 98 unq 6 iso 0 dist 6.48948 6.65501 7.42446 7.03983 7.02507 9.84743 10.4782 10.8223 8.46823 16.1571 17.4071 14.7899 16.4267 21.6474 9.64383 numMergedOcc 0
51 mol 98 unq 7 iso 0 dist 6.48948 6.65501 7.42446 7.03983 7.02507 9.84743 10.4782 10.8223 8.46823 16.1571 6.10456 9.42358 9.67482 12.7417 7.54889 numMergedOcc 0
52 mol 98 unq 8 iso 0 dist 6.48948 6.65501 7.42446 7.03983 7.02507 9.84743 10.4782 10.8223 8.46823 16.1571 10.1136 13.9786 12.0974 17.1287 7.78931 numMergedOcc 0
53 mol 98 unq 9 iso 0 dist 6.48948 6.65501 7.42446 7.03983 7.02507 9.84743 3.9764 5.92242 4.62494 9.6331 5.08437 9.51923 4.4057 9.89095 5.10496 numMergedOcc 0
54 mol 98 unq 10 iso 0 dist 6.48948 6.65501 7.42446 7.03983 7.02507 9.84743 3.9764 5.92242 4.62494 9.6331 6.10456 9.42358 9.67482 12.7417 5.2571 numMergedOcc 0
55 mol 98 unq 11 iso 0 dist 6.48948 6.65501 7.42446 7.03983 7.02507 9.84743 3.9764 5.92242 4.62494 9.6331 10.1136 13.9786 12.0974 17.1287 8.7497 numMergedOcc 0
56 mol 98 unq 12 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 3.9764 5.2571 4.62494 6.70343 5.08437 8.40073 4.4057 9.81956 5.10496 numMergedOcc 0
57 mol 98 unq 13 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 3.9764 5.2571 4.62494 6.70343 6.48948 9.42358 7.42446 10.8223 5.92242 numMergedOcc 0
58 mol 98 unq 14 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 3.9764 5.2571 4.62494 6.70343 10.1136 5.02887 12.0974 7.78931 8.7497 numMergedOcc 0
59 mol 98 unq 15 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 10.4782 7.54889 8.46823 6.70343 17.4071 13.659 16.4267 14.0897 9.64383 numMergedOcc 0
60 mol 98 unq 16 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 10.4782 7.54889 8.46823 6.70343 10.1136 5.02887 12.0974 8.7497 7.78931 numMergedOcc 0
61 mol 100 unq 0 iso 0 dist 7.47343 8.30845 12.2861 5.9143 7.82475 13.9449 6.23008 9.76432 6.59691 9.68983 6.65086 8.8807 5.80144 11.9928 8.91882 numMergedOcc 0
62 mol 100 unq 1 iso 0 dist 7.47343 8.30845 12.2861 5.9143 7.82475 13.9449 6.23008 9.76432 6.59691 9.68983 13.2001 16.3949 5.42531 18.3441 9.21662 numMergedOcc 0
63 mol 100 unq 2 iso 0 dist 7.47343 8.30845 12.2861 5.47563 5.35782 13.2383 6.23008 9.76432 6.59691 10.2797 6.65086 8.8807 5.80144 9.94341 8.91882 numMergedOcc 0
64 mol 100 unq 3 iso 0 dist 7.47343 8.30845 12.2861 5.47563 5.35782 13.2383 6.23008 9.76432 6.59691 10.2797 13.2001 16.3949 5.42531 18.0351 9.21662 numMergedOcc 0
65 mol 129 unq 0 iso 0 dist 5.83384 7.58957 10.5488 9.00231 5.58833 15.5412 6.28232 11.7541 6.34626 14.9816 10.1333 14.6152 4.92472 18.9969 5.51197 numMergedOcc 0
66 mol 134 unq 0 iso 0 dist 6.37586 6.23142 5.29786 6.95573 9.33924 12.2587 8.06642 7.93372 9.0176 11.4107 11.7385 10.7144 7.1797 18.0094 9.66543 numMergedOcc 0
67 mol 134 unq 1 iso 0 dist 6.37586 6.23142 5.29786 6.95573 9.33924 12.2587 8.06642 7.93372 9.0176 11.4107 8.94367 5.49782 4.57832 13.9752 7.21868 numMergedOcc 0
68 mol 134 unq 2 iso 0 dist 9.71307 9.94764 5.29786 10.2026 9.33924 12.2587 4.00092 7.93372 9.0176 11.4107 11.3835 10.7144 7.1797 18.0094 9.66543 numMergedOcc 0
69 mol 134 unq 3 iso 0 dist 9.71307 9.94764 5.29786 10.2026 9.33924 12.2587 4.00092 7.93372 9.0176 11.4107 9.86662 5.49782 4.57832 13.9752 7.21868 numMergedOcc 0
70 mol 181 unq 0 iso 0 dist 7.81386 9.39829 7.20191 6.8757 6.64173 12.6232 5.71898 9.01624 5.99437 11.196 9.81747 11.5866 5.48529 15.3823 5.05973 numMergedOcc 0
71 mol 181 unq 1 iso 0 dist 7.81386 9.39829 7.20191 5.83796 9.55105 8.4848 5.71898 9.01624 5.99437 3.55187 9.81747 11.5866 5.48529 8.40951 5.05973 numMergedOcc 0
72 mol 181 unq 2 iso 0 dist 7.63312 6.41453 7.20191 10.6474 6.64173 12.6232 5.93724 9.01624 5.99437 11.196 9.11469 11.5866 5.48529 15.3823 5.05973 numMergedOcc 0
73 mol 181 unq 3 iso 0 dist 7.63312 6.41453 7.20191 5.12833 9.55105 8.4848 5.93724 9.01624 5.99437 3.55187 9.11469 11.5866 5.48529 8.40951 5.05973 numMergedOcc 0
