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3 mol 43 unq 0 iso 1 dist 8.03754 13.1056 6.20293 14.0204 8.80331 8.13395 numMergedOcc 0
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5 mol 59 unq 0 iso 1 dist 9.83775 5.82428 8.84665 13.0222 7.71095 12.5396 numMergedOcc 0
6 mol 59 unq 1 iso 0 dist 9.83775 13.0222 7.71095 10.1226 8.25513 8.19458 numMergedOcc 0
7 mol 59 unq 1 iso 1 dist 9.83775 10.1226 8.25513 13.0222 7.71095 8.19458 numMergedOcc 0
8 mol 59 unq 1 iso 0 dist 9.83775 5.82428 8.84665 10.1226 8.25513 6.40295 numMergedOcc 0
9 mol 59 unq 1 iso 1 dist 9.83775 10.1226 8.25513 5.82428 8.84665 6.40295 numMergedOcc 0
10 mol 60 unq 0 iso 0 dist 7.15352 9.28444 6.65595 11.0491 9.25011 4.73512 numMergedOcc 0
11 mol 60 unq 0 iso 1 dist 7.15352 11.0491 9.25011 9.28444 6.65595 4.73512 numMergedOcc 0
12 mol 60 unq 1 iso 0 dist 7.15352 9.28444 6.65595 4.80738 6.43294 10.6819 numMergedOcc 0
13 mol 60 unq 1 iso 1 dist 7.15352 4.80738 6.43294 9.28444 6.65595 10.6819 numMergedOcc 0
14 mol 60 unq 2 iso 0 dist 7.15352 9.28444 6.65595 6.28337 8.52121 8.93946 numMergedOcc 0
15 mol 60 unq 2 iso 1 dist 7.15352 6.28337 8.52121 9.28444 6.65595 8.93946 numMergedOcc 0
16 mol 60 unq 1 iso 0 dist 7.15352 11.0491 9.25011 4.80738 6.43294 11.3621 numMergedOcc 0
17 mol 60 unq 1 iso 1 dist 7.15352 4.80738 6.43294 11.0491 9.25011 11.3621 numMergedOcc 0
18 mol 60 unq 2 iso 0 dist 7.15352 11.0491 9.25011 6.28337 8.52121 7.66664 numMergedOcc 0
19 mol 60 unq 2 iso 1 dist 7.15352 6.28337 8.52121 11.0491 9.25011 7.66664 numMergedOcc 0
20 mol 60 unq 2 iso 0 dist 7.15352 4.80738 6.43294 6.28337 8.52121 5.51199 numMergedOcc 0
21 mol 60 unq 2 iso 1 dist 7.15352 6.28337 8.52121 4.80738 6.43294 5.51199 numMergedOcc 0
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25 mol 73 unq 0 iso 1 dist 7.23812 9.59988 6.19304 12.8453 9.96396 5.4148 numMergedOcc 0
26 mol 73 unq 1 iso 0 dist 7.23812 12.8453 9.96396 7.80518 8.70481 14.9342 numMergedOcc 0
27 mol 73 unq 1 iso 1 dist 7.23812 7.80518 8.70481 12.8453 9.96396 14.9342 numMergedOcc 0
28 mol 73 unq 1 iso 0 dist 7.23812 9.59988 6.19304 7.80518 8.70481 13.3558 numMergedOcc 0
29 mol 73 unq 1 iso 1 dist 7.23812 7.80518 8.70481 9.59988 6.19304 13.3558 numMergedOcc 0
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31 mol 75 unq 0 iso 1 dist 9.20448 12.103 8.56639 14.2474 7.79912 5.64643 numMergedOcc 0
32 mol 75 unq 1 iso 0 dist 9.20448 14.2474 7.79912 5.76778 8.59017 10.4899 numMergedOcc 0
33 mol 75 unq 1 iso 1 dist 9.20448 5.76778 8.59017 14.2474 7.79912 10.4899 numMergedOcc 0
34 mol 75 unq 1 iso 0 dist 9.20448 12.103 8.56639 5.76778 8.59017 7.00674 numMergedOcc 0
35 mol 75 unq 1 iso 1 dist 9.20448 5.76778 8.59017 12.103 8.56639 7.00674 numMergedOcc 0
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37 mol 75 unq 2 iso 1 dist 6.96759 12.899 8.56639 13.8905 7.79912 5.64643 numMergedOcc 0
38 mol 75 unq 3 iso 0 dist 6.96759 13.8905 7.79912 8.41332 8.59017 10.4899 numMergedOcc 0
39 mol 75 unq 3 iso 1 dist 6.96759 8.41332 8.59017 13.8905 7.79912 10.4899 numMergedOcc 0
40 mol 75 unq 3 iso 0 dist 6.96759 12.899 8.56639 8.41332 8.59017 7.00674 numMergedOcc 0
41 mol 75 unq 3 iso 1 dist 6.96759 8.41332 8.59017 12.899 8.56639 7.00674 numMergedOcc 0
42 mol 75 unq 4 iso 0 dist 6.97318 11.2774 7.79912 11.0206 8.56639 5.64643 numMergedOcc 0
43 mol 75 unq 4 iso 1 dist 6.97318 11.0206 8.56639 11.2774 7.79912 5.64643 numMergedOcc 0
44 mol 75 unq 5 iso 0 dist 6.97318 11.2774 7.79912 6.56982 8.59017 10.4899 numMergedOcc 0
45 mol 75 unq 5 iso 1 dist 6.97318 6.56982 8.59017 11.2774 7.79912 10.4899 numMergedOcc 0
46 mol 75 unq 5 iso 0 dist 6.97318 11.0206 8.56639 6.56982 8.59017 7.00674 numMergedOcc 0
47 mol 75 unq 5 iso 1 dist 6.97318 6.56982 8.59017 11.0206 8.56639 7.00674 numMergedOcc 0
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53 mol 85 unq 1 iso 1 dist 9.67557 15.3279 7.66905 9.9705 6.19965 6.9948 numMergedOcc 0
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55 mol 92 unq 0 iso 1 dist 7.11695 9.54167 9.64443 14.4144 9.33898 13.1316 numMergedOcc 0
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57 mol 95 unq 0 iso 1 dist 9.64673 16.4832 8.03644 12.0894 7.27724 8.41707 numMergedOcc 0
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59 mol 100 unq 0 iso 1 dist 7.689 5.71475 7.17106 14.9329 9.60661 11.5403 numMergedOcc 0
60 mol 100 unq 1 iso 0 dist 7.689 14.9329 9.60661 10.3954 9.35224 7.80879 numMergedOcc 0
61 mol 100 unq 1 iso 1 dist 7.689 10.3954 9.35224 14.9329 9.60661 7.80879 numMergedOcc 0
62 mol 100 unq 1 iso 0 dist 7.689 5.71475 7.17106 10.3954 9.35224 8.87654 numMergedOcc 0
63 mol 100 unq 1 iso 1 dist 7.689 10.3954 9.35224 5.71475 7.17106 8.87654 numMergedOcc 0
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65 mol 100 unq 2 iso 1 dist 9.22737 6.60925 6.65086 12.9061 7.47343 8.8807 numMergedOcc 0
66 mol 100 unq 3 iso 0 dist 9.22737 12.9061 7.47343 4.95357 6.56369 12.6515 numMergedOcc 0
67 mol 100 unq 3 iso 1 dist 9.22737 4.95357 6.56369 12.9061 7.47343 12.6515 numMergedOcc 0
68 mol 100 unq 4 iso 0 dist 9.22737 12.9061 7.47343 5.05858 9.30209 13.887 numMergedOcc 0
69 mol 100 unq 4 iso 1 dist 9.22737 5.05858 9.30209 12.9061 7.47343 13.887 numMergedOcc 0
70 mol 100 unq 3 iso 0 dist 9.22737 6.60925 6.65086 4.95357 6.56369 7.80879 numMergedOcc 0
71 mol 100 unq 3 iso 1 dist 9.22737 4.95357 6.56369 6.60925 6.65086 7.80879 numMergedOcc 0
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75 mol 100 unq 4 iso 1 dist 9.22737 5.05858 9.30209 4.95357 6.56369 6.39938 numMergedOcc 0
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190 mol 282 unq 1 iso 0 dist 7.71088 11.2986 8.76532 7.46064 6.33524 4.66602 numMergedOcc 0
191 mol 282 unq 1 iso 1 dist 7.71088 7.46064 6.33524 11.2986 8.76532 4.66602 numMergedOcc 0
