0 mol 24 unq 0 iso 0 dist 9.01567 7.33768 7.88693 8.91183 6.19899 11.9029 11.0194 4.50066 11.9112 5.68215 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 9.01567 7.29868 6.16544 8.91183 6.19899 6.61696 11.0194 4.50066 5.11617 5.68215 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 8.4051 8.23446 14.1082 10.1698 6.61696 16.1924 5.54419 5.11617 13.1779 5.68215 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 8.4051 8.23446 14.1082 13.6174 5.80953 17.4861 15.5324 8.52463 21.8521 7.95042 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 8.4051 8.75662 9.62033 10.1698 6.61696 15.3807 5.54419 5.11617 10.8238 5.68215 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 8.4051 8.75662 9.62033 13.6174 5.80953 11.7489 15.5324 8.52463 13.4893 7.95042 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 7.29868 7.33768 10.2653 8.91183 6.61696 11.9029 11.0194 5.11617 11.9112 5.68215 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 7.29868 7.33768 10.2653 5.69214 5.80953 10.8435 6.86014 8.52463 4.32034 7.95042 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 7.29868 9.01567 6.16544 8.91183 6.61696 6.19899 11.0194 5.11617 4.50066 5.68215 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 7.29868 9.01567 6.16544 5.69214 5.80953 10.8068 6.86014 8.52463 8.67951 7.95042 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 8.60554 8.44664 14.1496 14.8647 6.61696 20.4659 13.2433 5.11617 17.1059 5.68215 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 8.60554 8.44664 14.1496 5.11636 5.80953 12.8213 8.86116 8.52463 10.971 7.95042 numMergedOcc 0
12 mol 24 unq 12 iso 0 dist 8.60554 9.44691 9.62033 14.8647 6.61696 15.3807 13.2433 5.11617 10.8238 5.68215 numMergedOcc 0
13 mol 24 unq 13 iso 0 dist 8.60554 9.44691 9.62033 5.11636 5.80953 11.7489 8.86116 8.52463 13.4893 7.95042 numMergedOcc 0
14 mol 24 unq 14 iso 0 dist 8.23446 8.4051 14.1082 6.28159 4.5711 12.3034 7.36323 6.38336 13.2229 8.87744 numMergedOcc 0
15 mol 24 unq 15 iso 0 dist 8.23446 8.4051 14.1082 5.50396 4.44526 9.84204 7.36323 6.38336 13.2229 7.27472 numMergedOcc 0
16 mol 24 unq 16 iso 0 dist 8.23446 8.75662 11.342 6.28159 4.5711 12.6707 7.36323 6.38336 6.7828 8.87744 numMergedOcc 0
17 mol 24 unq 17 iso 0 dist 8.23446 8.75662 11.342 5.50396 4.44526 9.586 7.36323 6.38336 6.7828 7.27472 numMergedOcc 0
18 mol 24 unq 18 iso 0 dist 8.75662 8.4051 9.62033 5.50396 9.586 9.84204 7.36323 6.7828 13.2229 7.27472 numMergedOcc 0
19 mol 24 unq 19 iso 0 dist 8.75662 8.23446 11.342 5.50396 9.586 4.44526 7.36323 6.7828 6.38336 7.27472 numMergedOcc 0
20 mol 24 unq 20 iso 0 dist 9.44691 8.60554 9.62033 14.4081 9.586 9.84204 15.5296 6.7828 13.2229 7.27472 numMergedOcc 0
21 mol 24 unq 21 iso 0 dist 9.44691 8.44664 10.4263 14.4081 9.586 19.2261 15.5296 6.7828 17.0288 7.27472 numMergedOcc 0
22 mol 25 unq 0 iso 0 dist 6.16347 7.92503 12.7398 5.63212 5.20109 13.0308 11.9561 7.33728 19.1927 7.05196 numMergedOcc 0
23 mol 25 unq 1 iso 0 dist 7.45383 9.01548 12.6805 6.47509 5.20109 12.506 5.04899 7.33728 13.9331 7.05196 numMergedOcc 0
24 mol 100 unq 0 iso 0 dist 8.30845 8.76378 13.3504 6.23008 6.59691 13.2391 6.65086 5.80144 12.3577 8.91882 numMergedOcc 0
25 mol 100 unq 1 iso 0 dist 8.30845 8.76378 13.3504 6.23008 6.59691 13.2391 13.2001 5.42531 17.9629 9.21662 numMergedOcc 0
26 mol 129 unq 0 iso 0 dist 7.58957 6.28565 7.91034 6.28232 6.34626 10.9495 10.1333 4.92472 12.1808 5.51197 numMergedOcc 0
27 mol 143 unq 0 iso 0 dist 7.78652 8.91301 4.30566 4.78563 5.06564 7.5373 5.99315 6.48978 5.20762 5.37047 numMergedOcc 0
28 mol 143 unq 1 iso 0 dist 8.91301 7.78652 4.30566 4.78563 7.5373 5.06564 5.99315 5.20762 6.48978 5.37047 numMergedOcc 0
29 mol 170 unq 0 iso 0 dist 6.35982 7.51126 6.24983 4.78249 6.47164 9.65126 12.8281 9.275 12.5696 9.08274 numMergedOcc 0
30 mol 170 unq 1 iso 0 dist 6.35982 7.51126 6.24983 4.78249 6.47164 9.65126 9.76807 4.34698 5.75144 9.51256 numMergedOcc 0
31 mol 170 unq 2 iso 0 dist 7.51126 6.35982 6.24983 4.78249 9.65126 6.47164 12.8281 12.5696 9.275 9.08274 numMergedOcc 0
32 mol 170 unq 3 iso 0 dist 7.51126 6.35982 6.24983 4.78249 9.65126 6.47164 9.76807 5.75144 4.34698 9.51256 numMergedOcc 0
33 mol 181 unq 0 iso 0 dist 6.46704 6.59025 9.87773 6.50233 7.35884 11.6588 8.03334 4.43096 8.04639 9.76212 numMergedOcc 0
34 mol 181 unq 1 iso 0 dist 6.46704 6.59025 9.87773 6.50233 7.35884 11.6588 10.9639 6.06566 13.0409 8.59874 numMergedOcc 0
35 mol 181 unq 2 iso 0 dist 5.9176 6.41453 9.53592 10.6474 8.12266 12.6232 7.63312 5.63555 7.20191 6.64173 numMergedOcc 0
36 mol 181 unq 3 iso 0 dist 5.9176 6.41453 9.53592 5.12833 9.43306 8.4848 7.63312 5.63555 7.20191 9.55105 numMergedOcc 0
37 mol 181 unq 4 iso 0 dist 6.41453 5.9176 9.53592 5.93724 5.99437 10.5303 7.63312 7.20191 5.63555 9.01624 numMergedOcc 0
38 mol 181 unq 5 iso 0 dist 6.41453 5.9176 9.53592 5.93724 5.99437 10.5303 9.11469 5.48529 13.8719 5.05973 numMergedOcc 0
39 mol 181 unq 6 iso 0 dist 6.41453 5.9176 9.53592 5.12833 8.4848 9.43306 7.63312 7.20191 5.63555 9.55105 numMergedOcc 0
40 mol 188 unq 0 iso 0 dist 7.14503 8.10214 9.01338 9.71636 8.66624 11.506 13.353 8.77113 10.5721 7.88013 numMergedOcc 0
41 mol 222 unq 0 iso 0 dist 7.67576 9.82371 11.3283 6.84862 8.43195 14.0832 7.21333 7.75656 16.0949 5.56538 numMergedOcc 0
42 mol 222 unq 1 iso 0 dist 7.67576 9.82371 11.3283 9.53117 8.23406 14.9425 7.21333 7.75656 16.0949 7.48954 numMergedOcc 0
43 mol 227 unq 0 iso 0 dist 7.43071 5.41321 11.362 5.0317 9.18728 8.91971 7.22101 6.35849 10.9607 5.23634 numMergedOcc 0
44 mol 227 unq 1 iso 0 dist 7.43071 5.41321 11.362 5.0317 9.18728 8.91971 8.65997 10.204 9.72615 6.91318 numMergedOcc 0
45 mol 227 unq 2 iso 0 dist 5.41321 7.43071 11.362 5.0317 8.91971 9.18728 7.22101 10.9607 6.35849 5.23634 numMergedOcc 0
46 mol 227 unq 3 iso 0 dist 5.41321 7.43071 11.362 5.0317 8.91971 9.18728 8.65997 9.72615 10.204 6.91318 numMergedOcc 0
47 mol 234 unq 0 iso 0 dist 7.32499 6.30154 10.0708 13.1872 7.77911 14.1037 10.3625 10.0059 10.998 7.81215 numMergedOcc 0
48 mol 234 unq 1 iso 0 dist 7.32499 6.30154 10.0708 13.1872 7.77911 14.1037 11.0622 5.08515 11.0835 5.64285 numMergedOcc 0
49 mol 274 unq 0 iso 0 dist 9.45514 6.39866 10.7637 12.393 7.77765 10.0206 10.7806 9.5468 6.70925 9.30212 numMergedOcc 0
50 mol 274 unq 1 iso 0 dist 9.45514 6.39866 10.7637 8.87855 9.65868 8.60027 10.7806 9.5468 6.70925 6.4611 numMergedOcc 0
51 mol 274 unq 2 iso 0 dist 6.39866 9.45514 10.7637 8.87855 8.60027 9.65868 10.7806 6.70925 9.5468 6.4611 numMergedOcc 0
