0 mol 24 unq 0 iso 0 dist 5.54419 5.68215 10.1698 6.56748 11.3566 7.26334 4.50066 9.83002 6.19899 4.15946 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 5.54419 5.68215 10.1698 4.50066 9.83002 6.19899 6.56748 11.3566 7.26334 4.15946 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 5.54419 5.68215 10.1698 6.56748 11.3566 7.26334 5.11617 8.4051 6.61696 9.92026 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 5.54419 5.68215 10.1698 5.11617 8.4051 6.61696 6.56748 11.3566 7.26334 9.92026 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 5.54419 5.68215 10.1698 4.50066 9.83002 6.19899 5.11617 8.4051 6.61696 6.16544 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 5.54419 5.68215 10.1698 5.11617 8.4051 6.61696 4.50066 9.83002 6.19899 6.16544 numMergedOcc 0
6 mol 24 unq 2 iso 0 dist 7.36323 7.27472 5.50396 6.38336 8.23446 4.44526 6.7828 8.75662 9.586 11.342 numMergedOcc 0
7 mol 24 unq 2 iso 1 dist 7.36323 7.27472 5.50396 6.7828 8.75662 9.586 6.38336 8.23446 4.44526 11.342 numMergedOcc 0
8 mol 25 unq 0 iso 0 dist 5.04899 9.49421 13.6145 5.77929 8.87757 6.53269 6.68639 9.61019 9.81524 4.43692 numMergedOcc 0
9 mol 25 unq 0 iso 1 dist 5.04899 9.49421 13.6145 6.68639 9.61019 9.81524 5.77929 8.87757 6.53269 4.43692 numMergedOcc 0
10 mol 25 unq 1 iso 0 dist 7.57578 9.48085 5.18617 6.08585 8.50222 6.53269 9.15781 12.4659 9.81524 4.43692 numMergedOcc 0
11 mol 25 unq 1 iso 1 dist 7.57578 9.48085 5.18617 9.15781 12.4659 9.81524 6.08585 8.50222 6.53269 4.43692 numMergedOcc 0
12 mol 25 unq 2 iso 0 dist 7.17969 9.48085 5.68041 6.08585 7.55264 6.53269 9.15781 10.3593 9.81524 4.43692 numMergedOcc 0
13 mol 25 unq 2 iso 1 dist 7.17969 9.48085 5.68041 9.15781 10.3593 9.81524 6.08585 7.55264 6.53269 4.43692 numMergedOcc 0
14 mol 98 unq 0 iso 0 dist 5.08437 5.10496 3.9764 7.94178 11.3043 9.84703 4.4057 6.65501 4.62494 10.2754 numMergedOcc 0
15 mol 98 unq 0 iso 1 dist 5.08437 5.10496 3.9764 4.4057 6.65501 4.62494 7.94178 11.3043 9.84703 10.2754 numMergedOcc 0
16 mol 98 unq 1 iso 0 dist 6.48948 5.92242 3.9764 15.7178 11.3043 9.84703 7.42446 6.65501 4.62494 10.2754 numMergedOcc 0
17 mol 98 unq 1 iso 1 dist 6.48948 5.92242 3.9764 7.42446 6.65501 4.62494 15.7178 11.3043 9.84703 10.2754 numMergedOcc 0
18 mol 98 unq 2 iso 0 dist 6.10456 7.54889 10.4782 9.85543 11.3043 9.25444 9.67482 6.65501 8.46823 10.2754 numMergedOcc 0
19 mol 98 unq 2 iso 1 dist 6.10456 7.54889 10.4782 9.67482 6.65501 8.46823 9.85543 11.3043 9.25444 10.2754 numMergedOcc 0
20 mol 98 unq 3 iso 0 dist 6.10456 5.2571 3.9764 9.85543 11.3043 9.84703 9.67482 6.65501 4.62494 10.2754 numMergedOcc 0
21 mol 98 unq 3 iso 1 dist 6.10456 5.2571 3.9764 9.67482 6.65501 4.62494 9.85543 11.3043 9.84703 10.2754 numMergedOcc 0
22 mol 100 unq 0 iso 0 dist 8.87449 9.21662 9.39125 6.12107 12.0685 6.55173 5.42531 10.9242 6.59691 4.36434 numMergedOcc 0
23 mol 100 unq 0 iso 1 dist 8.87449 9.21662 9.39125 5.42531 10.9242 6.59691 6.12107 12.0685 6.55173 4.36434 numMergedOcc 0
24 mol 100 unq 1 iso 0 dist 9.60661 8.91882 4.03277 6.71012 9.1361 6.55173 5.80144 7.01812 6.59691 4.36434 numMergedOcc 0
25 mol 100 unq 1 iso 1 dist 9.60661 8.91882 4.03277 5.80144 7.01812 6.59691 6.71012 9.1361 6.55173 4.36434 numMergedOcc 0
26 mol 100 unq 2 iso 0 dist 6.65086 8.91882 6.23008 6.71012 9.5074 6.55173 5.80144 8.30845 6.59691 4.36434 numMergedOcc 0
27 mol 100 unq 2 iso 1 dist 6.65086 8.91882 6.23008 5.80144 8.30845 6.59691 6.71012 9.5074 6.55173 4.36434 numMergedOcc 0
28 mol 143 unq 0 iso 0 dist 5.99315 5.37047 4.78563 6.48978 7.78652 5.06564 5.20762 8.91301 7.5373 4.30566 numMergedOcc 0
29 mol 143 unq 0 iso 1 dist 5.99315 5.37047 4.78563 5.20762 8.91301 7.5373 6.48978 7.78652 5.06564 4.30566 numMergedOcc 0
30 mol 155 unq 0 iso 0 dist 7.46303 8.97626 9.16779 5.50031 12.2416 9.16358 6.89781 10.9606 9.24038 6.56063 numMergedOcc 0
31 mol 155 unq 0 iso 1 dist 7.46303 8.97626 9.16779 6.89781 10.9606 9.24038 5.50031 12.2416 9.16358 6.56063 numMergedOcc 0
32 mol 155 unq 1 iso 0 dist 6.43582 8.97626 4.91785 5.50031 7.92304 9.16358 6.89781 10.3161 9.24038 6.56063 numMergedOcc 0
33 mol 155 unq 1 iso 1 dist 6.43582 8.97626 4.91785 6.89781 10.3161 9.24038 5.50031 7.92304 9.16358 6.56063 numMergedOcc 0
34 mol 170 unq 0 iso 0 dist 9.76807 9.51256 4.78249 4.34698 6.35982 6.47164 5.75144 7.51126 9.65126 6.24983 numMergedOcc 0
35 mol 170 unq 0 iso 1 dist 9.76807 9.51256 4.78249 5.75144 7.51126 9.65126 4.34698 6.35982 6.47164 6.24983 numMergedOcc 0
36 mol 181 unq 0 iso 0 dist 7.81386 9.55105 5.83796 5.63555 10.4943 9.43306 7.20191 9.39829 8.4848 9.53592 numMergedOcc 0
37 mol 181 unq 0 iso 1 dist 7.81386 9.55105 5.83796 7.20191 9.39829 8.4848 5.63555 10.4943 9.43306 9.53592 numMergedOcc 0
38 mol 181 unq 1 iso 0 dist 7.63312 9.55105 5.12833 5.63555 5.9176 9.43306 7.20191 6.41453 8.4848 9.53592 numMergedOcc 0
39 mol 181 unq 1 iso 1 dist 7.63312 9.55105 5.12833 7.20191 6.41453 8.4848 5.63555 5.9176 9.43306 9.53592 numMergedOcc 0
40 mol 224 unq 0 iso 0 dist 6.65832 6.99769 5.76843 5.91654 10.8507 9.25617 9.14278 13.4196 9.05276 6.43567 numMergedOcc 0
41 mol 224 unq 0 iso 1 dist 6.65832 6.99769 5.76843 9.14278 13.4196 9.05276 5.91654 10.8507 9.25617 6.43567 numMergedOcc 0
42 mol 224 unq 1 iso 0 dist 6.57273 8.79428 7.05804 7.38836 11.9653 9.25617 12.4832 14.5387 9.05276 6.43567 numMergedOcc 0
43 mol 224 unq 1 iso 1 dist 6.57273 8.79428 7.05804 12.4832 14.5387 9.05276 7.38836 11.9653 9.25617 6.43567 numMergedOcc 0
44 mol 224 unq 2 iso 0 dist 6.60589 8.79428 5.76843 7.38836 10.8507 9.25617 12.4832 13.4196 9.05276 6.43567 numMergedOcc 0
45 mol 224 unq 2 iso 1 dist 6.60589 8.79428 5.76843 12.4832 13.4196 9.05276 7.38836 10.8507 9.25617 6.43567 numMergedOcc 0
46 mol 224 unq 3 iso 0 dist 5.78342 6.8692 7.05804 10.6079 11.9653 9.25617 11.5752 14.5387 9.05276 6.43567 numMergedOcc 0
47 mol 224 unq 3 iso 1 dist 5.78342 6.8692 7.05804 11.5752 14.5387 9.05276 10.6079 11.9653 9.25617 6.43567 numMergedOcc 0
48 mol 224 unq 4 iso 0 dist 9.16166 6.8692 5.76843 10.6079 10.8507 9.25617 11.5752 13.4196 9.05276 6.43567 numMergedOcc 0
49 mol 224 unq 4 iso 1 dist 9.16166 6.8692 5.76843 11.5752 13.4196 9.05276 10.6079 10.8507 9.25617 6.43567 numMergedOcc 0
50 mol 224 unq 5 iso 0 dist 5.81334 6.8692 4.54188 10.6079 12.9355 9.25617 11.5752 12.8311 9.05276 6.43567 numMergedOcc 0
51 mol 224 unq 5 iso 1 dist 5.81334 6.8692 4.54188 11.5752 12.8311 9.05276 10.6079 12.9355 9.25617 6.43567 numMergedOcc 0
52 mol 227 unq 0 iso 0 dist 7.22101 5.23634 5.0317 6.35849 7.43071 9.18728 10.9607 5.41321 8.91971 11.362 numMergedOcc 0
53 mol 227 unq 0 iso 1 dist 7.22101 5.23634 5.0317 10.9607 5.41321 8.91971 6.35849 7.43071 9.18728 11.362 numMergedOcc 0
54 mol 227 unq 1 iso 0 dist 8.65997 6.91318 5.0317 10.204 7.43071 9.18728 9.72615 5.41321 8.91971 11.362 numMergedOcc 0
55 mol 227 unq 1 iso 1 dist 8.65997 6.91318 5.0317 9.72615 5.41321 8.91971 10.204 7.43071 9.18728 11.362 numMergedOcc 0
56 mol 227 unq 2 iso 0 dist 7.09863 5.23634 5.83175 6.35849 6.02296 9.18728 10.9607 9.74265 8.91971 11.362 numMergedOcc 0
57 mol 227 unq 2 iso 1 dist 7.09863 5.23634 5.83175 10.9607 9.74265 8.91971 6.35849 6.02296 9.18728 11.362 numMergedOcc 0
58 mol 239 unq 0 iso 0 dist 6.16342 6.73665 10.6736 11.169 11.308 8.95511 5.88931 10.3435 5.85002 13.9726 numMergedOcc 0
59 mol 239 unq 0 iso 1 dist 6.16342 6.73665 10.6736 5.88931 10.3435 5.85002 11.169 11.308 8.95511 13.9726 numMergedOcc 0
