0 mol 24 unq 0 iso 0 dist 6.86014 9.01567 8.67951 7.33768 4.32034 7.88693 8.91183 12.5088 6.19899 11.9029 numMergedOcc 0
1 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 7.33768 4.32034 7.88693 13.0212 15.4457 8.49709 12.7215 numMergedOcc 0
2 mol 24 unq 2 iso 0 dist 6.86014 9.01567 8.67951 7.29868 8.52463 6.16544 8.91183 12.5088 6.19899 6.61696 numMergedOcc 0
3 mol 24 unq 3 iso 0 dist 6.86014 9.01567 8.67951 7.29868 8.52463 6.16544 13.0212 15.4457 8.49709 12.9064 numMergedOcc 0
4 mol 24 unq 4 iso 0 dist 6.86014 7.29868 8.52463 7.33768 4.32034 10.2653 8.91183 12.5088 6.61696 11.9029 numMergedOcc 0
5 mol 24 unq 5 iso 0 dist 6.86014 7.29868 8.52463 7.33768 4.32034 10.2653 5.69214 7.95042 5.80953 10.8435 numMergedOcc 0
6 mol 24 unq 6 iso 0 dist 6.86014 7.29868 8.52463 9.01567 8.67951 6.16544 8.91183 12.5088 6.61696 6.19899 numMergedOcc 0
7 mol 24 unq 7 iso 0 dist 6.86014 7.29868 8.52463 9.01567 8.67951 6.16544 5.69214 7.95042 5.80953 10.8068 numMergedOcc 0
8 mol 24 unq 8 iso 0 dist 8.86116 8.60554 8.52463 8.44664 10.971 14.1496 14.8647 12.5088 6.61696 20.4659 numMergedOcc 0
9 mol 24 unq 9 iso 0 dist 8.86116 8.60554 8.52463 8.44664 10.971 14.1496 5.11636 7.95042 5.80953 12.8213 numMergedOcc 0
10 mol 24 unq 10 iso 0 dist 8.86116 8.60554 8.52463 9.44691 13.4893 9.62033 14.8647 12.5088 6.61696 15.3807 numMergedOcc 0
11 mol 24 unq 11 iso 0 dist 8.86116 8.60554 8.52463 9.44691 13.4893 9.62033 5.11636 7.95042 5.80953 11.7489 numMergedOcc 0
12 mol 24 unq 12 iso 0 dist 8.86116 8.44664 10.971 8.60554 8.52463 14.1496 4.79736 12.3058 9.98592 13.0764 numMergedOcc 0
13 mol 24 unq 13 iso 0 dist 8.86116 8.44664 10.971 9.44691 13.4893 10.4263 4.79736 12.3058 9.98592 13.2105 numMergedOcc 0
14 mol 24 unq 14 iso 0 dist 8.86116 9.44691 13.4893 8.60554 8.52463 9.62033 14.4081 17.9275 9.586 9.84204 numMergedOcc 0
15 mol 24 unq 15 iso 0 dist 8.86116 9.44691 13.4893 8.44664 10.971 10.4263 14.4081 17.9275 9.586 19.2261 numMergedOcc 0
16 mol 24 unq 16 iso 0 dist 8.38394 8.60554 12.3994 8.44664 5.30734 14.1496 14.8647 17.9146 6.61696 20.4659 numMergedOcc 0
17 mol 24 unq 17 iso 0 dist 8.38394 8.60554 12.3994 8.44664 5.30734 14.1496 5.11636 10.9819 5.80953 12.8213 numMergedOcc 0
18 mol 24 unq 18 iso 0 dist 8.38394 8.60554 12.3994 9.44691 12.505 9.62033 14.8647 17.9146 6.61696 15.3807 numMergedOcc 0
19 mol 24 unq 19 iso 0 dist 8.38394 8.60554 12.3994 9.44691 12.505 9.62033 5.11636 10.9819 5.80953 11.7489 numMergedOcc 0
20 mol 24 unq 20 iso 0 dist 8.38394 8.44664 5.30734 8.60554 12.3994 14.1496 4.79736 10.6772 9.98592 13.0764 numMergedOcc 0
21 mol 24 unq 21 iso 0 dist 8.38394 8.44664 5.30734 9.44691 12.505 10.4263 4.79736 10.6772 9.98592 13.2105 numMergedOcc 0
22 mol 24 unq 22 iso 0 dist 8.38394 9.44691 12.505 8.60554 12.3994 9.62033 14.4081 19.8965 9.586 9.84204 numMergedOcc 0
23 mol 24 unq 23 iso 0 dist 8.38394 9.44691 12.505 8.44664 5.30734 10.4263 14.4081 19.8965 9.586 19.2261 numMergedOcc 0
24 mol 24 unq 24 iso 0 dist 5.54419 8.4051 5.11617 8.23446 13.1779 14.1082 10.1698 5.68215 6.61696 16.1924 numMergedOcc 0
25 mol 24 unq 25 iso 0 dist 5.54419 8.4051 5.11617 8.23446 13.1779 14.1082 13.6174 10.9113 5.80953 17.4861 numMergedOcc 0
26 mol 24 unq 26 iso 0 dist 5.54419 8.4051 5.11617 8.75662 10.8238 9.62033 10.1698 5.68215 6.61696 15.3807 numMergedOcc 0
27 mol 24 unq 27 iso 0 dist 5.54419 8.4051 5.11617 8.75662 10.8238 9.62033 13.6174 10.9113 5.80953 11.7489 numMergedOcc 0
28 mol 24 unq 28 iso 0 dist 5.54419 8.23446 13.1779 8.4051 5.11617 14.1082 5.73029 9.16003 9.33304 13.2391 numMergedOcc 0
29 mol 24 unq 29 iso 0 dist 5.54419 8.23446 13.1779 8.4051 5.11617 14.1082 6.28159 10.4135 4.5711 12.3034 numMergedOcc 0
30 mol 24 unq 30 iso 0 dist 5.54419 8.23446 13.1779 8.4051 5.11617 14.1082 5.50396 9.33482 4.44526 9.84204 numMergedOcc 0
31 mol 24 unq 31 iso 0 dist 5.54419 8.23446 13.1779 8.75662 10.8238 11.342 5.73029 9.16003 9.33304 14.1221 numMergedOcc 0
32 mol 24 unq 32 iso 0 dist 5.54419 8.23446 13.1779 8.75662 10.8238 11.342 6.28159 10.4135 4.5711 12.6707 numMergedOcc 0
33 mol 24 unq 33 iso 0 dist 5.54419 8.23446 13.1779 8.75662 10.8238 11.342 5.50396 9.33482 4.44526 9.586 numMergedOcc 0
34 mol 24 unq 34 iso 0 dist 5.54419 8.75662 10.8238 8.4051 5.11617 9.62033 5.50396 9.33482 9.586 9.84204 numMergedOcc 0
35 mol 24 unq 35 iso 0 dist 5.54419 8.75662 10.8238 8.23446 13.1779 11.342 5.50396 9.33482 9.586 4.44526 numMergedOcc 0
36 mol 24 unq 36 iso 0 dist 5.54419 6.73939 12.176 8.70827 5.59311 15.0804 15.4313 20.8425 9.85784 22.5395 numMergedOcc 0
37 mol 24 unq 37 iso 0 dist 5.54419 6.73939 12.176 8.70827 5.59311 15.0804 14.1829 19.3627 9.87996 20.2392 numMergedOcc 0
38 mol 24 unq 38 iso 0 dist 7.36323 8.4051 13.2229 8.23446 6.38336 14.1082 10.1698 17.003 6.61696 16.1924 numMergedOcc 0
39 mol 24 unq 39 iso 0 dist 7.36323 8.4051 13.2229 8.23446 6.38336 14.1082 13.6174 16.707 5.80953 17.4861 numMergedOcc 0
40 mol 24 unq 40 iso 0 dist 7.36323 8.4051 13.2229 8.75662 6.7828 9.62033 10.1698 17.003 6.61696 15.3807 numMergedOcc 0
41 mol 24 unq 41 iso 0 dist 7.36323 8.4051 13.2229 8.75662 6.7828 9.62033 13.6174 16.707 5.80953 11.7489 numMergedOcc 0
42 mol 24 unq 42 iso 0 dist 7.36323 8.23446 6.38336 8.4051 13.2229 14.1082 5.73029 10.502 9.33304 13.2391 numMergedOcc 0
43 mol 24 unq 43 iso 0 dist 7.36323 8.23446 6.38336 8.4051 13.2229 14.1082 6.28159 8.87744 4.5711 12.3034 numMergedOcc 0
44 mol 24 unq 44 iso 0 dist 7.36323 8.23446 6.38336 8.4051 13.2229 14.1082 5.50396 7.27472 4.44526 9.84204 numMergedOcc 0
45 mol 24 unq 45 iso 0 dist 7.36323 8.23446 6.38336 8.75662 6.7828 11.342 5.73029 10.502 9.33304 14.1221 numMergedOcc 0
46 mol 24 unq 46 iso 0 dist 7.36323 8.23446 6.38336 8.75662 6.7828 11.342 6.28159 8.87744 4.5711 12.6707 numMergedOcc 0
47 mol 24 unq 47 iso 0 dist 7.36323 8.23446 6.38336 8.75662 6.7828 11.342 5.50396 7.27472 4.44526 9.586 numMergedOcc 0
48 mol 24 unq 48 iso 0 dist 7.36323 8.75662 6.7828 8.4051 13.2229 9.62033 5.50396 7.27472 9.586 9.84204 numMergedOcc 0
49 mol 24 unq 49 iso 0 dist 7.36323 8.75662 6.7828 8.23446 6.38336 11.342 5.50396 7.27472 9.586 4.44526 numMergedOcc 0
50 mol 25 unq 0 iso 0 dist 5.04899 7.45383 7.33728 9.01548 13.9331 12.6805 6.47509 7.05196 5.20109 12.506 numMergedOcc 0
51 mol 25 unq 1 iso 0 dist 7.57578 6.16347 9.34396 7.92503 6.11127 12.7398 5.63212 10.9703 5.20109 13.0308 numMergedOcc 0
52 mol 25 unq 2 iso 0 dist 7.17969 6.16347 10.8498 7.92503 5.30154 12.7398 5.63212 10.3338 5.20109 13.0308 numMergedOcc 0
53 mol 100 unq 0 iso 0 dist 7.47343 8.30845 12.2861 8.76378 15.5385 13.3504 6.23008 9.76432 6.59691 13.2391 numMergedOcc 0
54 mol 100 unq 1 iso 0 dist 6.65086 8.30845 5.80144 8.76378 12.3577 13.3504 6.23008 8.91882 6.59691 13.2391 numMergedOcc 0
55 mol 100 unq 2 iso 0 dist 6.56369 8.30845 10.0456 8.76378 4.97045 13.3504 6.23008 11.5088 6.59691 13.2391 numMergedOcc 0
56 mol 100 unq 3 iso 0 dist 9.30209 8.30845 6.70236 8.76378 10.7791 13.3504 6.23008 11.6812 6.59691 13.2391 numMergedOcc 0
57 mol 113 unq 0 iso 0 dist 5.86073 8.8822 10.1816 9.66219 8.42718 4.09459 13.9729 15.7535 9.30645 10.6797 numMergedOcc 0
58 mol 129 unq 0 iso 0 dist 9.61051 7.58957 5.68211 6.28565 6.30169 7.91034 6.28232 11.3039 6.34626 10.9495 numMergedOcc 0
59 mol 129 unq 1 iso 0 dist 5.83384 4.97175 7.29399 9.36851 10.7293 5.41583 6.16616 11.8464 9.35533 12.8649 numMergedOcc 0
60 mol 129 unq 2 iso 0 dist 5.83384 7.58957 10.5488 6.28565 4.55551 7.91034 6.28232 11.7541 6.34626 10.9495 numMergedOcc 0
61 mol 143 unq 0 iso 0 dist 5.99315 7.78652 6.48978 8.91301 5.20762 4.30566 4.78563 5.37047 5.06564 7.5373 numMergedOcc 0
62 mol 143 unq 1 iso 0 dist 5.99315 8.91301 5.20762 7.78652 6.48978 4.30566 4.78563 5.37047 7.5373 5.06564 numMergedOcc 0
63 mol 170 unq 0 iso 0 dist 9.76807 6.35982 4.34698 7.51126 5.75144 6.24983 4.78249 9.51256 6.47164 9.65126 numMergedOcc 0
64 mol 170 unq 1 iso 0 dist 9.76807 7.51126 5.75144 6.35982 4.34698 6.24983 4.78249 9.51256 9.65126 6.47164 numMergedOcc 0
65 mol 181 unq 0 iso 0 dist 8.03334 6.46704 4.43096 6.59025 8.04639 9.87773 6.28125 10.0802 9.06571 9.88897 numMergedOcc 0
66 mol 181 unq 1 iso 0 dist 8.03334 6.46704 4.43096 6.59025 8.04639 9.87773 6.50233 9.76212 7.35884 11.6588 numMergedOcc 0
67 mol 181 unq 2 iso 0 dist 8.03334 6.59025 8.04639 6.46704 4.43096 9.87773 6.28125 10.0802 9.88897 9.06571 numMergedOcc 0
68 mol 181 unq 3 iso 0 dist 7.63312 5.9176 5.63555 6.41453 7.20191 9.53592 10.6474 6.64173 8.12266 12.6232 numMergedOcc 0
69 mol 181 unq 4 iso 0 dist 7.63312 5.9176 5.63555 6.41453 7.20191 9.53592 5.12833 9.55105 9.43306 8.4848 numMergedOcc 0
70 mol 181 unq 5 iso 0 dist 7.63312 5.9176 5.63555 6.41453 7.20191 9.53592 4.61184 11.7785 8.59681 10.6525 numMergedOcc 0
71 mol 181 unq 6 iso 0 dist 7.63312 6.41453 7.20191 5.9176 5.63555 9.53592 5.93724 9.01624 5.99437 10.5303 numMergedOcc 0
72 mol 181 unq 7 iso 0 dist 7.63312 6.41453 7.20191 5.9176 5.63555 9.53592 5.12833 9.55105 8.4848 9.43306 numMergedOcc 0
73 mol 182 unq 0 iso 0 dist 9.31746 6.73956 7.68794 7.09394 9.37404 6.27728 4.88992 13.5224 8.62102 10.0627 numMergedOcc 0
74 mol 222 unq 0 iso 0 dist 8.01589 7.67576 10.3151 9.82371 8.52017 11.3283 6.84862 14.4477 8.43195 14.0832 numMergedOcc 0
75 mol 222 unq 1 iso 0 dist 8.01589 7.67576 10.3151 9.82371 8.52017 11.3283 9.53117 16.3082 8.23406 14.9425 numMergedOcc 0
76 mol 222 unq 2 iso 0 dist 7.7699 7.67576 7.81022 9.82371 15.7504 11.3283 6.84862 10.0233 8.43195 14.0832 numMergedOcc 0
77 mol 222 unq 3 iso 0 dist 7.7699 7.67576 7.81022 9.82371 15.7504 11.3283 9.53117 11.839 8.23406 14.9425 numMergedOcc 0
78 mol 222 unq 4 iso 0 dist 7.21333 7.67576 7.75656 9.82371 16.0949 11.3283 6.84862 5.56538 8.43195 14.0832 numMergedOcc 0
79 mol 222 unq 5 iso 0 dist 7.21333 7.67576 7.75656 9.82371 16.0949 11.3283 9.53117 7.48954 8.23406 14.9425 numMergedOcc 0
80 mol 227 unq 0 iso 0 dist 9.34734 7.43071 6.00424 5.41321 10.7656 11.362 5.0317 10.7855 9.18728 8.91971 numMergedOcc 0
81 mol 227 unq 1 iso 0 dist 9.34734 5.41321 10.7656 7.43071 6.00424 11.362 5.0317 10.7855 8.91971 9.18728 numMergedOcc 0
82 mol 227 unq 2 iso 0 dist 7.22101 7.43071 6.35849 5.41321 10.9607 11.362 5.0317 5.23634 9.18728 8.91971 numMergedOcc 0
83 mol 227 unq 3 iso 0 dist 7.22101 5.41321 10.9607 7.43071 6.35849 11.362 5.0317 5.23634 8.91971 9.18728 numMergedOcc 0
84 mol 227 unq 4 iso 0 dist 8.65997 7.43071 10.204 5.41321 9.72615 11.362 5.0317 6.91318 9.18728 8.91971 numMergedOcc 0
85 mol 227 unq 5 iso 0 dist 8.65997 5.41321 9.72615 7.43071 10.204 11.362 5.0317 6.91318 8.91971 9.18728 numMergedOcc 0
86 mol 227 unq 6 iso 0 dist 7.56888 7.43071 9.76735 5.41321 5.10635 11.362 5.0317 11.2661 9.18728 8.91971 numMergedOcc 0
87 mol 227 unq 7 iso 0 dist 7.56888 5.41321 5.10635 7.43071 9.76735 11.362 5.0317 11.2661 8.91971 9.18728 numMergedOcc 0
88 mol 227 unq 8 iso 0 dist 7.55216 7.43071 9.32448 5.41321 6.48027 11.362 5.0317 12.3663 9.18728 8.91971 numMergedOcc 0
89 mol 227 unq 9 iso 0 dist 7.55216 5.41321 6.48027 7.43071 9.32448 11.362 5.0317 12.3663 8.91971 9.18728 numMergedOcc 0
90 mol 234 unq 0 iso 0 dist 8.41436 7.32499 10.7902 6.30154 7.44558 10.0708 13.1872 17.3846 7.77911 14.1037 numMergedOcc 0
91 mol 234 unq 1 iso 0 dist 8.92474 7.32499 4.4288 6.30154 10.9712 10.0708 13.1872 11.3419 7.77911 14.1037 numMergedOcc 0
