0 mol 24 unq 0 iso 0 dist 9.01567 8.91183 6.19899 11.0194 4.50066 5.68215 12.2059 4.15946 7.26334 6.56748 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.01567 8.91183 6.19899 11.0194 4.50066 5.68215 7.29868 6.16544 6.61696 5.11617 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.4051 10.1698 6.61696 5.54419 5.11617 5.68215 11.3566 9.92026 7.26334 6.56748 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.4051 10.1698 6.61696 5.54419 5.11617 5.68215 9.83002 6.16544 6.19899 4.50066 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 7.29868 8.91183 6.61696 11.0194 5.11617 5.68215 12.2059 9.92026 7.26334 6.56748 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 7.29868 8.91183 6.61696 11.0194 5.11617 5.68215 9.01567 6.16544 6.19899 4.50066 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 8.60554 14.8647 6.61696 13.2433 5.11617 5.68215 17.592 9.92026 7.26334 6.56748 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 8.60554 14.8647 6.61696 13.2433 5.11617 5.68215 13.4393 6.16544 6.19899 4.50066 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 8.23446 5.50396 4.44526 7.36323 6.38336 7.27472 8.75662 11.342 9.586 6.7828 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 8.75662 5.50396 9.586 7.36323 6.7828 7.27472 8.23446 11.342 4.44526 6.38336 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 9.44691 14.4081 9.586 15.5296 6.7828 7.27472 17.6854 11.342 4.44526 6.38336 numMergedOcc 0
11 mol 25 unq 0 iso 0 dist 8.87757 13.6145 6.53269 11.9561 6.08585 9.48085 9.61019 4.43692 9.81524 9.15781 numMergedOcc 0
12 mol 25 unq 1 iso 0 dist 8.87757 13.6145 6.53269 5.04899 5.77929 9.49421 9.61019 4.43692 9.81524 6.68639 numMergedOcc 0
13 mol 25 unq 2 iso 0 dist 8.50222 5.18617 6.53269 7.57578 6.08585 9.48085 12.4659 4.43692 9.81524 9.15781 numMergedOcc 0
14 mol 25 unq 3 iso 0 dist 8.50222 5.18617 6.53269 12.7009 5.77929 9.49421 12.4659 4.43692 9.81524 6.68639 numMergedOcc 0
15 mol 25 unq 4 iso 0 dist 7.55264 5.68041 6.53269 7.17969 6.08585 9.48085 10.3593 4.43692 9.81524 9.15781 numMergedOcc 0
16 mol 25 unq 5 iso 0 dist 7.55264 5.68041 6.53269 12.8117 5.77929 9.49421 10.3593 4.43692 9.81524 6.68639 numMergedOcc 0
17 mol 92 unq 0 iso 0 dist 7.52354 6.95017 8.93769 13.2315 10.9681 7.13008 11.3767 5.74171 8.98912 7.05542 numMergedOcc 0
18 mol 98 unq 0 iso 0 dist 6.65501 10.4782 8.46823 17.4071 16.4267 9.64383 11.3043 10.2754 9.25444 18.5442 numMergedOcc 0
19 mol 98 unq 1 iso 0 dist 6.65501 10.4782 8.46823 6.10456 9.67482 7.54889 11.3043 10.2754 9.25444 9.85543 numMergedOcc 0
20 mol 98 unq 2 iso 0 dist 6.65501 10.4782 8.46823 10.1136 12.0974 7.78931 11.3043 10.2754 9.25444 7.28361 numMergedOcc 0
21 mol 98 unq 3 iso 0 dist 6.65501 3.9764 4.62494 5.08437 4.4057 5.10496 11.3043 10.2754 9.84703 7.94178 numMergedOcc 0
22 mol 98 unq 4 iso 0 dist 6.65501 3.9764 4.62494 6.48948 7.42446 5.92242 11.3043 10.2754 9.84703 15.7178 numMergedOcc 0
23 mol 98 unq 5 iso 0 dist 6.65501 3.9764 4.62494 6.10456 9.67482 5.2571 11.3043 10.2754 9.84703 9.85543 numMergedOcc 0
24 mol 98 unq 6 iso 0 dist 6.65501 3.9764 4.62494 10.1136 12.0974 8.7497 11.3043 10.2754 9.84703 7.28361 numMergedOcc 0
25 mol 100 unq 0 iso 0 dist 7.01812 4.03277 6.59691 9.60661 5.80144 8.91882 9.1361 4.36434 6.55173 6.71012 numMergedOcc 0
26 mol 100 unq 1 iso 0 dist 7.01812 4.03277 6.59691 10.1489 5.42531 9.21662 9.1361 4.36434 6.55173 6.12107 numMergedOcc 0
27 mol 100 unq 2 iso 0 dist 8.30845 6.23008 6.59691 6.65086 5.80144 8.91882 9.5074 4.36434 6.55173 6.71012 numMergedOcc 0
28 mol 100 unq 3 iso 0 dist 8.30845 6.23008 6.59691 13.2001 5.42531 9.21662 9.5074 4.36434 6.55173 6.12107 numMergedOcc 0
29 mol 143 unq 0 iso 0 dist 7.78652 4.78563 5.06564 5.99315 6.48978 5.37047 8.91301 4.30566 7.5373 5.20762 numMergedOcc 0
30 mol 143 unq 1 iso 0 dist 8.91301 4.78563 7.5373 5.99315 5.20762 5.37047 7.78652 4.30566 5.06564 6.48978 numMergedOcc 0
31 mol 155 unq 0 iso 0 dist 7.92304 4.91785 9.16358 6.43582 5.50031 8.97626 10.3161 6.56063 9.24038 6.89781 numMergedOcc 0
32 mol 155 unq 1 iso 0 dist 8.69157 12.6999 9.24038 12.3052 6.89781 8.97626 14.7195 6.56063 9.16358 5.50031 numMergedOcc 0
33 mol 155 unq 2 iso 0 dist 6.53347 7.10286 9.24038 10.7829 6.89781 8.97626 11.1616 6.56063 9.16358 5.50031 numMergedOcc 0
34 mol 170 unq 0 iso 0 dist 9.10511 4.12764 6.47164 11.8841 9.275 9.08274 13.0689 6.24983 9.65126 12.5696 numMergedOcc 0
35 mol 170 unq 1 iso 0 dist 9.10511 4.12764 6.47164 12.8696 4.34698 9.51256 13.0689 6.24983 9.65126 5.75144 numMergedOcc 0
36 mol 170 unq 2 iso 0 dist 6.35982 4.78249 6.47164 12.8281 9.275 9.08274 7.51126 6.24983 9.65126 12.5696 numMergedOcc 0
37 mol 170 unq 3 iso 0 dist 6.35982 4.78249 6.47164 9.76807 4.34698 9.51256 7.51126 6.24983 9.65126 5.75144 numMergedOcc 0
38 mol 170 unq 4 iso 0 dist 7.51126 4.78249 9.65126 12.8281 12.5696 9.08274 6.35982 6.24983 6.47164 9.275 numMergedOcc 0
39 mol 170 unq 5 iso 0 dist 7.51126 4.78249 9.65126 9.76807 5.75144 9.51256 6.35982 6.24983 6.47164 4.34698 numMergedOcc 0
40 mol 181 unq 0 iso 0 dist 5.9176 5.12833 9.43306 7.63312 5.63555 9.55105 6.41453 9.53592 8.4848 7.20191 numMergedOcc 0
41 mol 181 unq 1 iso 0 dist 9.39829 5.83796 8.4848 7.81386 7.20191 9.55105 10.4943 9.53592 9.43306 5.63555 numMergedOcc 0
42 mol 181 unq 2 iso 0 dist 6.41453 5.12833 8.4848 7.63312 7.20191 9.55105 5.9176 9.53592 9.43306 5.63555 numMergedOcc 0
43 mol 227 unq 0 iso 0 dist 7.43071 5.0317 9.18728 7.22101 6.35849 5.23634 5.41321 11.362 8.91971 10.9607 numMergedOcc 0
44 mol 227 unq 1 iso 0 dist 7.43071 5.0317 9.18728 8.65997 10.204 6.91318 5.41321 11.362 8.91971 9.72615 numMergedOcc 0
45 mol 227 unq 2 iso 0 dist 5.41321 5.0317 8.91971 7.22101 10.9607 5.23634 7.43071 11.362 9.18728 6.35849 numMergedOcc 0
46 mol 227 unq 3 iso 0 dist 5.41321 5.0317 8.91971 8.65997 9.72615 6.91318 7.43071 11.362 9.18728 10.204 numMergedOcc 0
47 mol 227 unq 4 iso 0 dist 6.02296 5.83175 9.18728 7.09863 6.35849 5.23634 9.74265 11.362 8.91971 10.9607 numMergedOcc 0
48 mol 227 unq 5 iso 0 dist 6.02296 5.83175 9.18728 10.8157 10.204 6.91318 9.74265 11.362 8.91971 9.72615 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 7.46394 14.7507 9.65868 12.3938 9.5468 6.4611 10.672 10.7637 8.60027 6.70925 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 9.45514 8.87855 9.65868 10.7806 9.5468 6.4611 6.39866 10.7637 8.60027 6.70925 numMergedOcc 0
51 mol 274 unq 2 iso 0 dist 8.91672 12.5615 9.65868 16.3286 9.5468 6.4611 16.422 10.7637 8.60027 6.70925 numMergedOcc 0
52 mol 274 unq 3 iso 0 dist 7.1729 13.0867 9.65868 13.5896 9.5468 6.4611 10.6913 10.7637 8.60027 6.70925 numMergedOcc 0
53 mol 274 unq 4 iso 0 dist 8.52587 16.9539 8.60027 13.9359 6.70925 6.4611 15.461 10.7637 9.65868 9.5468 numMergedOcc 0
54 mol 274 unq 5 iso 0 dist 6.39866 8.87855 8.60027 10.7806 6.70925 6.4611 9.45514 10.7637 9.65868 9.5468 numMergedOcc 0
