0 mol 1 unq 0 iso 0 dist 6.69458 4.95929 9.21329 5.11065 8.54277 8.29622 numMergedOcc 0
1 mol 1 unq 0 iso 1 dist 6.69458 5.11065 8.54277 4.95929 9.21329 8.29622 numMergedOcc 0
2 mol 5 unq 0 iso 0 dist 7.77059 3.99762 6.86923 8.40431 9.95226 5.70932 numMergedOcc 0
3 mol 5 unq 0 iso 1 dist 7.77059 8.40431 9.95226 3.99762 6.86923 5.70932 numMergedOcc 0
4 mol 5 unq 1 iso 0 dist 7.77059 3.99762 6.86923 8.19993 4.60775 7.67464 numMergedOcc 0
5 mol 5 unq 1 iso 1 dist 7.77059 8.19993 4.60775 3.99762 6.86923 7.67464 numMergedOcc 0
6 mol 5 unq 2 iso 0 dist 7.77059 3.99762 6.86923 12.2871 8.64744 9.39982 numMergedOcc 0
7 mol 5 unq 2 iso 1 dist 7.77059 12.2871 8.64744 3.99762 6.86923 9.39982 numMergedOcc 0
8 mol 5 unq 1 iso 0 dist 7.77059 8.40431 9.95226 8.19993 4.60775 8.28622 numMergedOcc 0
9 mol 5 unq 1 iso 1 dist 7.77059 8.19993 4.60775 8.40431 9.95226 8.28622 numMergedOcc 0
10 mol 5 unq 2 iso 0 dist 7.77059 8.40431 9.95226 12.2871 8.64744 6.78181 numMergedOcc 0
11 mol 5 unq 2 iso 1 dist 7.77059 12.2871 8.64744 8.40431 9.95226 6.78181 numMergedOcc 0
12 mol 5 unq 2 iso 0 dist 7.77059 8.19993 4.60775 12.2871 8.64744 7.02829 numMergedOcc 0
13 mol 5 unq 2 iso 1 dist 7.77059 12.2871 8.64744 8.19993 4.60775 7.02829 numMergedOcc 0
14 mol 5 unq 3 iso 0 dist 7.4332 10.3223 9.22067 7.05332 8.49537 14.5394 numMergedOcc 0
15 mol 5 unq 3 iso 1 dist 7.4332 7.05332 8.49537 10.3223 9.22067 14.5394 numMergedOcc 0
16 mol 10 unq 0 iso 0 dist 7.83083 4.82016 9.9373 10.8001 8.4881 10.4192 numMergedOcc 0
17 mol 10 unq 0 iso 1 dist 7.83083 10.8001 8.4881 4.82016 9.9373 10.4192 numMergedOcc 0
18 mol 10 unq 1 iso 0 dist 9.05394 13.0047 9.9373 11.9249 8.4881 10.4192 numMergedOcc 0
19 mol 10 unq 1 iso 1 dist 9.05394 11.9249 8.4881 13.0047 9.9373 10.4192 numMergedOcc 0
20 mol 10 unq 2 iso 0 dist 6.90469 13.5354 9.97671 4.82016 7.83087 10.4382 numMergedOcc 0
21 mol 10 unq 2 iso 1 dist 6.90469 4.82016 7.83087 13.5354 9.97671 10.4382 numMergedOcc 0
22 mol 10 unq 3 iso 0 dist 6.90469 13.5354 9.97671 10.8001 9.37129 9.06785 numMergedOcc 0
23 mol 10 unq 3 iso 1 dist 6.90469 10.8001 9.37129 13.5354 9.97671 9.06785 numMergedOcc 0
24 mol 10 unq 3 iso 0 dist 6.90469 4.82016 7.83087 10.8001 9.37129 10.4192 numMergedOcc 0
25 mol 10 unq 3 iso 1 dist 6.90469 10.8001 9.37129 4.82016 7.83087 10.4192 numMergedOcc 0
26 mol 17 unq 0 iso 0 dist 8.55161 5.67737 6.64199 8.04504 8.90155 11.1609 numMergedOcc 0
27 mol 17 unq 0 iso 1 dist 8.55161 8.04504 8.90155 5.67737 6.64199 11.1609 numMergedOcc 0
28 mol 28 unq 0 iso 0 dist 8.66738 12.2504 9.28621 6.81477 8.94643 12.5255 numMergedOcc 0
29 mol 28 unq 0 iso 1 dist 8.66738 6.81477 8.94643 12.2504 9.28621 12.5255 numMergedOcc 0
30 mol 28 unq 1 iso 0 dist 8.66738 12.2504 9.28621 5.88912 8.36195 9.40652 numMergedOcc 0
31 mol 28 unq 1 iso 1 dist 8.66738 5.88912 8.36195 12.2504 9.28621 9.40652 numMergedOcc 0
32 mol 28 unq 1 iso 0 dist 8.66738 6.81477 8.94643 5.88912 8.36195 11.2009 numMergedOcc 0
33 mol 28 unq 1 iso 1 dist 8.66738 5.88912 8.36195 6.81477 8.94643 11.2009 numMergedOcc 0
34 mol 41 unq 0 iso 0 dist 7.7727 14.3405 7.16598 14.4796 9.14632 4.67252 numMergedOcc 0
35 mol 41 unq 0 iso 1 dist 7.7727 14.4796 9.14632 14.3405 7.16598 4.67252 numMergedOcc 0
36 mol 73 unq 0 iso 0 dist 9.85386 7.87577 7.9575 10.5032 5.88827 4.56026 numMergedOcc 0
37 mol 73 unq 0 iso 1 dist 9.85386 10.5032 5.88827 7.87577 7.9575 4.56026 numMergedOcc 0
38 mol 85 unq 0 iso 0 dist 8.66427 15.4494 8.60062 11.5575 5.16225 9.06957 numMergedOcc 0
39 mol 85 unq 0 iso 1 dist 8.66427 11.5575 5.16225 15.4494 8.60062 9.06957 numMergedOcc 0
40 mol 85 unq 1 iso 0 dist 7.51319 4.74629 8.67342 7.39588 5.73739 9.06957 numMergedOcc 0
41 mol 85 unq 1 iso 1 dist 7.51319 7.39588 5.73739 4.74629 8.67342 9.06957 numMergedOcc 0
42 mol 85 unq 2 iso 0 dist 8.49887 4.74629 8.60062 7.39588 5.16225 9.06957 numMergedOcc 0
43 mol 85 unq 2 iso 1 dist 8.49887 7.39588 5.16225 4.74629 8.60062 9.06957 numMergedOcc 0
44 mol 85 unq 3 iso 0 dist 9.43839 17.9238 8.67342 13.3413 5.73739 9.06957 numMergedOcc 0
45 mol 85 unq 3 iso 1 dist 9.43839 13.3413 5.73739 17.9238 8.67342 9.06957 numMergedOcc 0
46 mol 88 unq 0 iso 0 dist 5.6516 7.93366 8.73208 6.09578 5.60174 4.39437 numMergedOcc 0
47 mol 88 unq 0 iso 1 dist 5.6516 6.09578 5.60174 7.93366 8.73208 4.39437 numMergedOcc 0
48 mol 182 unq 0 iso 0 dist 6.55146 10.7274 8.7486 9.79079 9.06707 5.59235 numMergedOcc 0
49 mol 182 unq 0 iso 1 dist 6.55146 9.79079 9.06707 10.7274 8.7486 5.59235 numMergedOcc 0
50 mol 251 unq 0 iso 0 dist 8.15014 4.72905 7.90148 12.082 9.49019 10.7701 numMergedOcc 0
51 mol 251 unq 0 iso 1 dist 8.15014 12.082 9.49019 4.72905 7.90148 10.7701 numMergedOcc 0
52 mol 251 unq 1 iso 0 dist 6.06154 10.4064 7.90148 4.79134 9.49019 10.7701 numMergedOcc 0
53 mol 251 unq 1 iso 1 dist 6.06154 4.79134 9.49019 10.4064 7.90148 10.7701 numMergedOcc 0
54 mol 266 unq 0 iso 0 dist 7.36137 6.69637 6.39822 11.9449 8.61077 5.40028 numMergedOcc 0
55 mol 266 unq 0 iso 1 dist 7.36137 11.9449 8.61077 6.69637 6.39822 5.40028 numMergedOcc 0
56 mol 266 unq 1 iso 0 dist 6.83784 5.60874 6.39822 5.50447 8.61077 5.40028 numMergedOcc 0
57 mol 266 unq 1 iso 1 dist 6.83784 5.50447 8.61077 5.60874 6.39822 5.40028 numMergedOcc 0
58 mol 266 unq 2 iso 0 dist 4.95415 6.69637 5.36518 11.9449 9.11585 5.40028 numMergedOcc 0
59 mol 266 unq 2 iso 1 dist 4.95415 11.9449 9.11585 6.69637 5.36518 5.40028 numMergedOcc 0
60 mol 266 unq 3 iso 0 dist 6.38519 5.60874 5.36518 5.50447 9.11585 5.40028 numMergedOcc 0
61 mol 266 unq 3 iso 1 dist 6.38519 5.50447 9.11585 5.60874 5.36518 5.40028 numMergedOcc 0
