0 mol 11 unq 0 iso 0 dist 4.61088 5.96346 6.86684 4.10106 6.54358 6.859 numMergedOcc 0
1 mol 16 unq 0 iso 0 dist 4.7319 6.72833 6.51133 6.86055 7.65889 5.94982 numMergedOcc 0
2 mol 16 unq 1 iso 0 dist 5.05803 6.93532 5.30082 5.01101 6.42835 5.94982 numMergedOcc 0
3 mol 24 unq 0 iso 0 dist 6.86014 7.29868 8.52463 5.69214 7.95042 5.80953 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 8.86116 8.60554 8.52463 5.11636 7.95042 5.80953 numMergedOcc 0
5 mol 24 unq 2 iso 0 dist 5.54419 8.4051 5.11617 10.1698 5.68215 6.61696 numMergedOcc 0
6 mol 24 unq 3 iso 0 dist 7.36323 8.23446 6.38336 6.28159 8.87744 4.5711 numMergedOcc 0
7 mol 24 unq 4 iso 0 dist 7.36323 8.23446 6.38336 5.50396 7.27472 4.44526 numMergedOcc 0
8 mol 24 unq 5 iso 0 dist 7.36323 8.75662 6.7828 5.50396 7.27472 9.586 numMergedOcc 0
9 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 6.47509 7.05196 5.20109 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 5.04899 8.87757 5.77929 4.69295 6.55597 9.16515 numMergedOcc 0
11 mol 25 unq 2 iso 0 dist 5.04899 8.87757 5.77929 8.79309 7.07751 9.82987 numMergedOcc 0
12 mol 25 unq 3 iso 0 dist 5.04899 8.87757 5.77929 13.6145 9.49421 6.53269 numMergedOcc 0
13 mol 25 unq 4 iso 0 dist 7.57578 8.50222 6.08585 5.18617 9.48085 6.53269 numMergedOcc 0
14 mol 25 unq 5 iso 0 dist 7.17969 7.55264 6.08585 5.68041 9.48085 6.53269 numMergedOcc 0
15 mol 25 unq 6 iso 0 dist 6.03987 6.85556 5.68392 5.86705 7.6114 6.29797 numMergedOcc 0
16 mol 58 unq 0 iso 0 dist 6.62496 8.80614 9.95364 9.87158 9.22598 9.01564 numMergedOcc 0
17 mol 58 unq 1 iso 0 dist 6.35756 8.80614 5.49591 9.87158 8.96727 9.01564 numMergedOcc 0
18 mol 58 unq 2 iso 0 dist 6.35756 8.80614 5.49591 5.86526 8.01308 7.11065 numMergedOcc 0
19 mol 72 unq 0 iso 0 dist 9.96708 9.27838 11.6378 5.69391 9.55118 7.58875 numMergedOcc 0
20 mol 73 unq 0 iso 0 dist 9.96396 9.24757 5.11416 5.70116 9.73086 6.14542 numMergedOcc 0
21 mol 73 unq 1 iso 0 dist 6.19304 9.24757 6.56633 6.20232 8.68662 8.96616 numMergedOcc 0
22 mol 73 unq 2 iso 0 dist 6.19304 9.24757 6.56633 5.70116 7.4369 6.14542 numMergedOcc 0
23 mol 98 unq 0 iso 0 dist 5.08437 6.65501 4.4057 3.9764 5.10496 4.62494 numMergedOcc 0
24 mol 98 unq 1 iso 0 dist 6.48948 6.65501 7.42446 3.9764 5.92242 4.62494 numMergedOcc 0
25 mol 98 unq 2 iso 0 dist 6.10456 6.65501 9.67482 10.4782 7.54889 8.46823 numMergedOcc 0
26 mol 98 unq 3 iso 0 dist 6.10456 6.65501 9.67482 3.9764 5.2571 4.62494 numMergedOcc 0
27 mol 100 unq 0 iso 0 dist 9.60661 7.01812 5.80144 4.03277 8.91882 6.59691 numMergedOcc 0
28 mol 100 unq 1 iso 0 dist 6.65086 8.30845 5.80144 6.23008 8.91882 6.59691 numMergedOcc 0
29 mol 109 unq 0 iso 0 dist 8.69985 7.80523 7.74599 5.00433 8.52024 7.56755 numMergedOcc 0
30 mol 119 unq 0 iso 0 dist 6.18601 6.73586 5.13589 4.39676 8.95212 8.67537 numMergedOcc 0
31 mol 133 unq 0 iso 0 dist 6.29155 6.16242 4.54648 13.0405 8.77023 8.83732 numMergedOcc 0
32 mol 133 unq 1 iso 0 dist 6.80239 5.87634 4.54648 13.7612 8.77023 8.83732 numMergedOcc 0
33 mol 134 unq 0 iso 0 dist 8.94367 6.23142 4.57832 8.06642 7.21868 9.0176 numMergedOcc 0
34 mol 134 unq 1 iso 0 dist 6.37586 6.23142 5.29786 8.06642 7.93372 9.0176 numMergedOcc 0
35 mol 134 unq 2 iso 0 dist 9.86662 9.94764 4.57832 4.00092 7.21868 9.0176 numMergedOcc 0
36 mol 134 unq 3 iso 0 dist 9.71307 9.94764 5.29786 4.00092 7.93372 9.0176 numMergedOcc 0
37 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 4.78563 5.37047 5.06564 numMergedOcc 0
38 mol 143 unq 1 iso 0 dist 5.99315 8.91301 5.20762 4.78563 5.37047 7.5373 numMergedOcc 0
39 mol 155 unq 0 iso 0 dist 6.43582 7.92304 5.50031 4.91785 8.97626 9.16358 numMergedOcc 0
40 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 4.78249 9.51256 6.47164 numMergedOcc 0
41 mol 170 unq 1 iso 0 dist 9.76807 7.51126 5.75144 4.78249 9.51256 9.65126 numMergedOcc 0
42 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 6.50233 9.76212 7.35884 numMergedOcc 0
43 mol 181 unq 1 iso 0 dist 7.81386 9.39829 7.20191 5.71898 9.01624 5.99437 numMergedOcc 0
44 mol 181 unq 2 iso 0 dist 7.81386 9.39829 7.20191 5.83796 9.55105 8.4848 numMergedOcc 0
45 mol 181 unq 3 iso 0 dist 7.63312 5.9176 5.63555 10.6474 6.64173 8.12266 numMergedOcc 0
46 mol 181 unq 4 iso 0 dist 7.63312 5.9176 5.63555 5.12833 9.55105 9.43306 numMergedOcc 0
47 mol 181 unq 5 iso 0 dist 7.63312 6.41453 7.20191 5.93724 9.01624 5.99437 numMergedOcc 0
48 mol 181 unq 6 iso 0 dist 7.63312 6.41453 7.20191 5.12833 9.55105 8.4848 numMergedOcc 0
49 mol 204 unq 0 iso 0 dist 8.51516 7.32294 5.86489 5.57347 7.9133 9.48625 numMergedOcc 0
50 mol 222 unq 0 iso 0 dist 7.21333 7.67576 7.75656 6.84862 5.56538 8.43195 numMergedOcc 0
51 mol 222 unq 1 iso 0 dist 7.21333 7.67576 7.75656 9.53117 7.48954 8.23406 numMergedOcc 0
52 mol 227 unq 0 iso 0 dist 7.22101 7.43071 6.35849 5.0317 5.23634 9.18728 numMergedOcc 0
53 mol 227 unq 1 iso 0 dist 7.22101 5.41321 10.9607 5.0317 5.23634 8.91971 numMergedOcc 0
54 mol 227 unq 2 iso 0 dist 8.65997 7.43071 10.204 5.0317 6.91318 9.18728 numMergedOcc 0
55 mol 227 unq 3 iso 0 dist 8.65997 5.41321 9.72615 5.0317 6.91318 8.91971 numMergedOcc 0
56 mol 227 unq 4 iso 0 dist 7.09863 6.02296 6.35849 5.83175 5.23634 9.18728 numMergedOcc 0
57 mol 229 unq 0 iso 0 dist 8.22528 8.66332 6.65022 5.70473 7.27993 9.37336 numMergedOcc 0
58 mol 232 unq 0 iso 0 dist 8.27212 9.40808 4.9377 5.10213 6.71524 9.9183 numMergedOcc 0
