0 mol 24 unq 0 iso 0 dist 6.86014 7.33768 4.32034 9.01567 8.67951 7.88693 5.69214 7.95042 10.8435 10.8068 numMergedOcc 0
1 mol 24 unq 0 iso 1 dist 6.86014 9.01567 8.67951 7.33768 4.32034 7.88693 5.69214 7.95042 10.8068 10.8435 numMergedOcc 0
2 mol 24 unq 1 iso 0 dist 6.86014 7.33768 4.32034 7.29868 8.52463 10.2653 5.69214 7.95042 10.8435 5.80953 numMergedOcc 0
3 mol 24 unq 1 iso 1 dist 6.86014 7.29868 8.52463 7.33768 4.32034 10.2653 5.69214 7.95042 5.80953 10.8435 numMergedOcc 0
4 mol 24 unq 1 iso 0 dist 6.86014 9.01567 8.67951 7.29868 8.52463 6.16544 5.69214 7.95042 10.8068 5.80953 numMergedOcc 0
5 mol 24 unq 1 iso 1 dist 6.86014 7.29868 8.52463 9.01567 8.67951 6.16544 5.69214 7.95042 5.80953 10.8068 numMergedOcc 0
6 mol 24 unq 2 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
7 mol 24 unq 2 iso 1 dist 8.86116 8.44664 10.971 8.60554 8.52463 14.1496 5.11636 7.95042 12.8213 5.80953 numMergedOcc 0
8 mol 24 unq 3 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
9 mol 24 unq 3 iso 1 dist 8.86116 9.44691 13.4893 8.60554 8.52463 9.62033 5.11636 7.95042 11.7489 5.80953 numMergedOcc 0
10 mol 24 unq 3 iso 0 dist 8.86116 8.44664 10.971 9.44691 13.4893 10.4263 5.11636 7.95042 12.8213 11.7489 numMergedOcc 0
11 mol 24 unq 3 iso 1 dist 8.86116 9.44691 13.4893 8.44664 10.971 10.4263 5.11636 7.95042 11.7489 12.8213 numMergedOcc 0
12 mol 24 unq 4 iso 0 dist 5.54419 8.4051 5.11617 8.23446 13.1779 14.1082 4.82629 6.6219 11.3231 11.3777 numMergedOcc 0
13 mol 24 unq 4 iso 1 dist 5.54419 8.23446 13.1779 8.4051 5.11617 14.1082 4.82629 6.6219 11.3777 11.3231 numMergedOcc 0
14 mol 24 unq 5 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
15 mol 24 unq 5 iso 1 dist 5.54419 8.23446 13.1779 8.4051 5.11617 14.1082 10.1698 5.68215 16.1924 6.61696 numMergedOcc 0
16 mol 24 unq 6 iso 0 dist 5.54419 8.4051 5.11617 8.75662 10.8238 9.62033 4.82629 6.6219 11.3231 13.0711 numMergedOcc 0
17 mol 24 unq 6 iso 1 dist 5.54419 8.75662 10.8238 8.4051 5.11617 9.62033 4.82629 6.6219 13.0711 11.3231 numMergedOcc 0
18 mol 24 unq 7 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
19 mol 24 unq 7 iso 1 dist 5.54419 8.75662 10.8238 8.4051 5.11617 9.62033 10.1698 5.68215 15.3807 6.61696 numMergedOcc 0
20 mol 24 unq 6 iso 0 dist 5.54419 8.23446 13.1779 8.75662 10.8238 11.342 4.82629 6.6219 11.3777 13.0711 numMergedOcc 0
21 mol 24 unq 6 iso 1 dist 5.54419 8.75662 10.8238 8.23446 13.1779 11.342 4.82629 6.6219 13.0711 11.3777 numMergedOcc 0
22 mol 24 unq 7 iso 0 dist 5.54419 8.23446 13.1779 8.75662 10.8238 11.342 10.1698 5.68215 16.1924 15.3807 numMergedOcc 0
23 mol 24 unq 7 iso 1 dist 5.54419 8.75662 10.8238 8.23446 13.1779 11.342 10.1698 5.68215 15.3807 16.1924 numMergedOcc 0
24 mol 24 unq 8 iso 0 dist 7.36323 8.4051 13.2229 8.23446 6.38336 14.1082 6.28159 8.87744 12.3034 4.5711 numMergedOcc 0
25 mol 24 unq 8 iso 1 dist 7.36323 8.23446 6.38336 8.4051 13.2229 14.1082 6.28159 8.87744 4.5711 12.3034 numMergedOcc 0
26 mol 24 unq 9 iso 0 dist 7.36323 8.4051 13.2229 8.23446 6.38336 14.1082 5.50396 7.27472 9.84204 4.44526 numMergedOcc 0
27 mol 24 unq 9 iso 1 dist 7.36323 8.23446 6.38336 8.4051 13.2229 14.1082 5.50396 7.27472 4.44526 9.84204 numMergedOcc 0
28 mol 24 unq 10 iso 0 dist 7.36323 8.4051 13.2229 8.75662 6.7828 9.62033 6.28159 8.87744 12.3034 12.6707 numMergedOcc 0
29 mol 24 unq 10 iso 1 dist 7.36323 8.75662 6.7828 8.4051 13.2229 9.62033 6.28159 8.87744 12.6707 12.3034 numMergedOcc 0
30 mol 24 unq 11 iso 0 dist 7.36323 8.4051 13.2229 8.75662 6.7828 9.62033 5.50396 7.27472 9.84204 9.586 numMergedOcc 0
31 mol 24 unq 11 iso 1 dist 7.36323 8.75662 6.7828 8.4051 13.2229 9.62033 5.50396 7.27472 9.586 9.84204 numMergedOcc 0
32 mol 24 unq 10 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
33 mol 24 unq 10 iso 1 dist 7.36323 8.75662 6.7828 8.23446 6.38336 11.342 6.28159 8.87744 12.6707 4.5711 numMergedOcc 0
34 mol 24 unq 11 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
35 mol 24 unq 11 iso 1 dist 7.36323 8.75662 6.7828 8.23446 6.38336 11.342 5.50396 7.27472 9.586 4.44526 numMergedOcc 0
36 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
37 mol 25 unq 0 iso 1 dist 5.04899 9.01548 13.9331 7.45383 7.33728 12.6805 6.47509 7.05196 12.506 5.20109 numMergedOcc 0
38 mol 92 unq 0 iso 0 dist 9.33898 8.91313 17.5889 8.16392 10.8304 11.5449 4.3481 7.06939 12.7637 11.1106 numMergedOcc 0
39 mol 92 unq 0 iso 1 dist 9.33898 8.16392 10.8304 8.91313 17.5889 11.5449 4.3481 7.06939 11.1106 12.7637 numMergedOcc 0
40 mol 92 unq 1 iso 0 dist 9.64443 8.91313 13.3881 8.16392 5.90097 11.5449 5.31547 9.36001 12.273 10.9647 numMergedOcc 0
41 mol 92 unq 1 iso 1 dist 9.64443 8.16392 5.90097 8.91313 13.3881 11.5449 5.31547 9.36001 10.9647 12.273 numMergedOcc 0
42 mol 92 unq 2 iso 0 dist 7.4729 6.95572 9.50382 7.38677 12.7565 6.36037 4.46885 8.3773 9.92987 11.4716 numMergedOcc 0
43 mol 92 unq 2 iso 1 dist 7.4729 7.38677 12.7565 6.95572 9.50382 6.36037 4.46885 8.3773 11.4716 9.92987 numMergedOcc 0
44 mol 100 unq 0 iso 0 dist 7.47343 8.30845 12.2861 8.76378 15.5385 13.3504 5.9143 7.82475 13.9449 10.8812 numMergedOcc 0
45 mol 100 unq 0 iso 1 dist 7.47343 8.76378 15.5385 8.30845 12.2861 13.3504 5.9143 7.82475 10.8812 13.9449 numMergedOcc 0
46 mol 100 unq 1 iso 0 dist 7.47343 8.30845 12.2861 8.76378 15.5385 13.3504 5.47563 5.35782 13.2383 11.4348 numMergedOcc 0
47 mol 100 unq 1 iso 1 dist 7.47343 8.76378 15.5385 8.30845 12.2861 13.3504 5.47563 5.35782 11.4348 13.2383 numMergedOcc 0
48 mol 100 unq 2 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
49 mol 100 unq 2 iso 1 dist 6.65086 8.76378 12.3577 8.30845 5.80144 13.3504 6.23008 8.91882 13.2391 6.59691 numMergedOcc 0
50 mol 129 unq 0 iso 0 dist 5.83384 6.28565 4.55551 7.58957 10.5488 7.91034 9.00231 5.58833 9.8591 15.5412 numMergedOcc 0
51 mol 129 unq 0 iso 1 dist 5.83384 7.58957 10.5488 6.28565 4.55551 7.91034 9.00231 5.58833 15.5412 9.8591 numMergedOcc 0
52 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
53 mol 143 unq 0 iso 1 dist 5.99315 8.91301 5.20762 7.78652 6.48978 4.30566 4.78563 5.37047 7.5373 5.06564 numMergedOcc 0
54 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
55 mol 170 unq 0 iso 1 dist 9.76807 7.51126 5.75144 6.35982 4.34698 6.24983 4.78249 9.51256 9.65126 6.47164 numMergedOcc 0
56 mol 181 unq 0 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
57 mol 181 unq 0 iso 1 dist 8.03334 6.59025 8.04639 6.46704 4.43096 9.87773 6.50233 9.76212 11.6588 7.35884 numMergedOcc 0
58 mol 181 unq 1 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
59 mol 181 unq 1 iso 1 dist 7.63312 6.41453 7.20191 5.9176 5.63555 9.53592 10.6474 6.64173 12.6232 8.12266 numMergedOcc 0
60 mol 181 unq 2 iso 0 dist 7.63312 5.9176 5.63555 6.41453 7.20191 9.53592 5.93724 9.01624 10.5303 5.99437 numMergedOcc 0
61 mol 181 unq 2 iso 1 dist 7.63312 6.41453 7.20191 5.9176 5.63555 9.53592 5.93724 9.01624 5.99437 10.5303 numMergedOcc 0
62 mol 181 unq 3 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
63 mol 181 unq 3 iso 1 dist 7.63312 6.41453 7.20191 5.9176 5.63555 9.53592 5.12833 9.55105 8.4848 9.43306 numMergedOcc 0
64 mol 182 unq 0 iso 0 dist 9.31746 6.73956 7.68794 7.09394 9.37404 6.27728 8.82964 9.56028 13.3817 12.6564 numMergedOcc 0
65 mol 182 unq 0 iso 1 dist 9.31746 7.09394 9.37404 6.73956 7.68794 6.27728 8.82964 9.56028 12.6564 13.3817 numMergedOcc 0
66 mol 222 unq 0 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
67 mol 222 unq 0 iso 1 dist 7.21333 9.82371 16.0949 7.67576 7.75656 11.3283 6.84862 5.56538 14.0832 8.43195 numMergedOcc 0
68 mol 222 unq 1 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
69 mol 222 unq 1 iso 1 dist 7.21333 9.82371 16.0949 7.67576 7.75656 11.3283 9.53117 7.48954 14.9425 8.23406 numMergedOcc 0
70 mol 227 unq 0 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
71 mol 227 unq 0 iso 1 dist 7.22101 5.41321 10.9607 7.43071 6.35849 11.362 5.0317 5.23634 8.91971 9.18728 numMergedOcc 0
72 mol 227 unq 1 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
73 mol 227 unq 1 iso 1 dist 8.65997 5.41321 9.72615 7.43071 10.204 11.362 5.0317 6.91318 8.91971 9.18728 numMergedOcc 0
74 mol 243 unq 0 iso 0 dist 8.23192 8.76935 6.60697 8.47652 4.26017 4.52689 5.71505 8.69318 11.4892 11.295 numMergedOcc 0
75 mol 243 unq 0 iso 1 dist 8.23192 8.47652 4.26017 8.76935 6.60697 4.52689 5.71505 8.69318 11.295 11.4892 numMergedOcc 0
