0 mol 20 unq 0 iso 0 dist 7.51452 6.03547 6.92904 16.3456 9.07213 15.0475 numMergedOcc 0
1 mol 20 unq 1 iso 0 dist 6.09764 9.20198 6.05053 4.95725 7.14069 12.4598 numMergedOcc 0
2 mol 20 unq 2 iso 0 dist 6.09764 9.20198 6.05053 5.84217 8.58641 13.3189 numMergedOcc 0
3 mol 20 unq 3 iso 0 dist 6.09764 9.20198 6.05053 4.18921 5.99466 9.07213 numMergedOcc 0
4 mol 20 unq 4 iso 0 dist 9.20198 6.09764 6.05053 4.18921 9.07213 5.99466 numMergedOcc 0
5 mol 24 unq 0 iso 0 dist 9.01567 7.33768 7.88693 8.91183 6.19899 11.9029 numMergedOcc 0
6 mol 24 unq 1 iso 0 dist 9.01567 7.33768 7.88693 13.0212 8.49709 12.7215 numMergedOcc 0
7 mol 24 unq 2 iso 0 dist 9.01567 7.29868 6.16544 8.91183 6.19899 6.61696 numMergedOcc 0
8 mol 24 unq 3 iso 0 dist 9.01567 7.29868 6.16544 13.0212 8.49709 12.9064 numMergedOcc 0
9 mol 24 unq 4 iso 0 dist 6.73939 8.70827 15.0804 15.4313 9.85784 22.5395 numMergedOcc 0
10 mol 24 unq 5 iso 0 dist 6.73939 8.70827 15.0804 14.1829 9.87996 20.2392 numMergedOcc 0
11 mol 24 unq 6 iso 0 dist 8.4051 8.23446 14.1082 10.1698 6.61696 16.1924 numMergedOcc 0
12 mol 24 unq 7 iso 0 dist 8.4051 8.23446 14.1082 13.6174 5.80953 17.4861 numMergedOcc 0
13 mol 24 unq 8 iso 0 dist 8.4051 8.75662 9.62033 10.1698 6.61696 15.3807 numMergedOcc 0
14 mol 24 unq 9 iso 0 dist 8.4051 8.75662 9.62033 13.6174 5.80953 11.7489 numMergedOcc 0
15 mol 24 unq 10 iso 0 dist 7.29868 7.33768 10.2653 8.91183 6.61696 11.9029 numMergedOcc 0
16 mol 24 unq 11 iso 0 dist 7.29868 7.33768 10.2653 5.69214 5.80953 10.8435 numMergedOcc 0
17 mol 24 unq 12 iso 0 dist 7.29868 9.01567 6.16544 8.91183 6.61696 6.19899 numMergedOcc 0
18 mol 24 unq 13 iso 0 dist 7.29868 9.01567 6.16544 5.69214 5.80953 10.8068 numMergedOcc 0
19 mol 24 unq 14 iso 0 dist 8.60554 8.44664 14.1496 14.8647 6.61696 20.4659 numMergedOcc 0
20 mol 24 unq 15 iso 0 dist 8.60554 8.44664 14.1496 5.11636 5.80953 12.8213 numMergedOcc 0
21 mol 24 unq 16 iso 0 dist 8.60554 9.44691 9.62033 14.8647 6.61696 15.3807 numMergedOcc 0
22 mol 24 unq 17 iso 0 dist 8.60554 9.44691 9.62033 5.11636 5.80953 11.7489 numMergedOcc 0
23 mol 24 unq 18 iso 0 dist 8.23446 8.4051 14.1082 5.73029 9.33304 13.2391 numMergedOcc 0
24 mol 24 unq 19 iso 0 dist 8.23446 8.4051 14.1082 6.28159 4.5711 12.3034 numMergedOcc 0
25 mol 24 unq 20 iso 0 dist 8.23446 8.4051 14.1082 5.50396 4.44526 9.84204 numMergedOcc 0
26 mol 24 unq 21 iso 0 dist 8.23446 8.75662 11.342 5.73029 9.33304 14.1221 numMergedOcc 0
27 mol 24 unq 22 iso 0 dist 8.23446 8.75662 11.342 6.28159 4.5711 12.6707 numMergedOcc 0
28 mol 24 unq 23 iso 0 dist 8.23446 8.75662 11.342 5.50396 4.44526 9.586 numMergedOcc 0
29 mol 24 unq 24 iso 0 dist 8.44664 8.60554 14.1496 4.79736 9.98592 13.0764 numMergedOcc 0
30 mol 24 unq 25 iso 0 dist 8.44664 9.44691 10.4263 4.79736 9.98592 13.2105 numMergedOcc 0
31 mol 24 unq 26 iso 0 dist 8.75662 8.4051 9.62033 5.50396 9.586 9.84204 numMergedOcc 0
32 mol 24 unq 27 iso 0 dist 8.75662 8.23446 11.342 5.50396 9.586 4.44526 numMergedOcc 0
33 mol 24 unq 28 iso 0 dist 9.44691 8.60554 9.62033 14.4081 9.586 9.84204 numMergedOcc 0
34 mol 24 unq 29 iso 0 dist 9.44691 8.44664 10.4263 14.4081 9.586 19.2261 numMergedOcc 0
35 mol 25 unq 0 iso 0 dist 6.16347 7.92503 12.7398 5.63212 5.20109 13.0308 numMergedOcc 0
36 mol 25 unq 1 iso 0 dist 7.45383 9.01548 12.6805 6.47509 5.20109 12.506 numMergedOcc 0
37 mol 91 unq 0 iso 0 dist 9.30539 9.01176 9.17687 12.6799 8.77355 16.4087 numMergedOcc 0
38 mol 100 unq 0 iso 0 dist 8.30845 8.76378 13.3504 6.23008 6.59691 13.2391 numMergedOcc 0
39 mol 113 unq 0 iso 0 dist 8.8822 9.66219 4.09459 13.9729 9.30645 10.6797 numMergedOcc 0
40 mol 129 unq 0 iso 0 dist 4.97175 9.36851 5.41583 6.16616 9.35533 12.8649 numMergedOcc 0
41 mol 129 unq 1 iso 0 dist 7.58957 6.28565 7.91034 6.28232 6.34626 10.9495 numMergedOcc 0
42 mol 135 unq 0 iso 0 dist 5.62052 7.90563 6.35752 8.50814 7.28318 7.17599 numMergedOcc 0
43 mol 135 unq 1 iso 0 dist 7.90563 5.62052 6.35752 8.50814 7.17599 7.28318 numMergedOcc 0
44 mol 135 unq 2 iso 0 dist 7.85645 8.97655 6.35752 3.95636 7.28318 7.17599 numMergedOcc 0
45 mol 135 unq 3 iso 0 dist 8.97655 7.85645 6.35752 3.95636 7.17599 7.28318 numMergedOcc 0
46 mol 143 unq 0 iso 0 dist 7.78652 8.91301 4.30566 4.78563 5.06564 7.5373 numMergedOcc 0
47 mol 143 unq 1 iso 0 dist 8.91301 7.78652 4.30566 4.78563 7.5373 5.06564 numMergedOcc 0
48 mol 159 unq 0 iso 0 dist 8.4858 9.17787 7.73341 4.48323 9.35202 12.5346 numMergedOcc 0
49 mol 170 unq 0 iso 0 dist 6.35982 7.51126 6.24983 4.78249 6.47164 9.65126 numMergedOcc 0
50 mol 170 unq 1 iso 0 dist 7.51126 6.35982 6.24983 4.78249 9.65126 6.47164 numMergedOcc 0
51 mol 171 unq 0 iso 0 dist 5.93786 8.1344 3.98338 9.35703 9.34834 13.0134 numMergedOcc 0
52 mol 171 unq 1 iso 0 dist 5.93786 8.1344 3.98338 9.14311 5.74846 9.37868 numMergedOcc 0
53 mol 171 unq 2 iso 0 dist 8.24693 6.71356 3.98338 14.4375 9.34834 13.0134 numMergedOcc 0
54 mol 171 unq 3 iso 0 dist 8.24693 6.71356 3.98338 13.6262 5.74846 9.37868 numMergedOcc 0
55 mol 181 unq 0 iso 0 dist 6.46704 6.59025 9.87773 6.28125 9.06571 9.88897 numMergedOcc 0
56 mol 181 unq 1 iso 0 dist 6.46704 6.59025 9.87773 6.50233 7.35884 11.6588 numMergedOcc 0
57 mol 181 unq 2 iso 0 dist 6.59025 6.46704 9.87773 6.28125 9.88897 9.06571 numMergedOcc 0
58 mol 181 unq 3 iso 0 dist 5.9176 6.41453 9.53592 10.6474 8.12266 12.6232 numMergedOcc 0
59 mol 181 unq 4 iso 0 dist 5.9176 6.41453 9.53592 5.12833 9.43306 8.4848 numMergedOcc 0
60 mol 181 unq 5 iso 0 dist 5.9176 6.41453 9.53592 4.61184 8.59681 10.6525 numMergedOcc 0
61 mol 181 unq 6 iso 0 dist 6.41453 5.9176 9.53592 5.93724 5.99437 10.5303 numMergedOcc 0
62 mol 181 unq 7 iso 0 dist 6.41453 5.9176 9.53592 5.12833 8.4848 9.43306 numMergedOcc 0
63 mol 182 unq 0 iso 0 dist 6.73956 7.09394 6.27728 4.88992 8.62102 10.0627 numMergedOcc 0
64 mol 188 unq 0 iso 0 dist 7.14503 8.10214 9.01338 9.71636 8.66624 11.506 numMergedOcc 0
65 mol 194 unq 0 iso 0 dist 8.29382 6.72379 6.7294 5.97754 8.64056 9.94082 numMergedOcc 0
66 mol 194 unq 1 iso 0 dist 6.72379 8.29382 6.7294 4.66791 9.00322 11.2491 numMergedOcc 0
67 mol 195 unq 0 iso 0 dist 7.36683 6.95086 9.90317 5.41635 6.22742 10.8593 numMergedOcc 0
68 mol 212 unq 0 iso 0 dist 8.69988 9.74144 12.5482 3.9436 9.10288 12.0526 numMergedOcc 0
69 mol 212 unq 1 iso 0 dist 8.69988 8.55903 6.18191 3.9436 9.10288 6.19798 numMergedOcc 0
70 mol 212 unq 2 iso 0 dist 8.69988 7.15603 7.34372 3.9436 9.10288 9.32123 numMergedOcc 0
71 mol 212 unq 3 iso 0 dist 8.55903 9.74144 15.0034 3.9436 6.19798 12.0526 numMergedOcc 0
72 mol 212 unq 4 iso 0 dist 8.55903 8.69988 6.18191 3.9436 6.19798 9.10288 numMergedOcc 0
73 mol 212 unq 5 iso 0 dist 8.55903 7.15603 10.7093 3.9436 6.19798 9.32123 numMergedOcc 0
74 mol 222 unq 0 iso 0 dist 7.67576 9.82371 11.3283 6.84862 8.43195 14.0832 numMergedOcc 0
75 mol 222 unq 1 iso 0 dist 7.67576 9.82371 11.3283 9.53117 8.23406 14.9425 numMergedOcc 0
76 mol 227 unq 0 iso 0 dist 7.43071 5.41321 11.362 5.0317 9.18728 8.91971 numMergedOcc 0
77 mol 227 unq 1 iso 0 dist 5.41321 7.43071 11.362 5.0317 8.91971 9.18728 numMergedOcc 0
78 mol 234 unq 0 iso 0 dist 7.32499 6.30154 10.0708 13.1872 7.77911 14.1037 numMergedOcc 0
79 mol 235 unq 0 iso 0 dist 6.21292 6.95126 10.2834 10.5354 7.39085 12.9086 numMergedOcc 0
80 mol 274 unq 0 iso 0 dist 9.45514 6.39866 10.7637 12.393 7.77765 10.0206 numMergedOcc 0
81 mol 274 unq 1 iso 0 dist 9.45514 6.39866 10.7637 8.87855 9.65868 8.60027 numMergedOcc 0
82 mol 274 unq 2 iso 0 dist 6.39866 9.45514 10.7637 8.87855 8.60027 9.65868 numMergedOcc 0
