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1 mol 11 unq 1 iso 0 dist 5.96346 9.62262 7.46578 4.10106 6.859 6.56765 numMergedOcc 0
2 mol 15 unq 0 iso 0 dist 5.89412 9.75966 6.03257 6.91314 6.23015 5.20798 numMergedOcc 0
3 mol 15 unq 1 iso 0 dist 7.07399 4.39605 6.03257 5.49251 6.23015 5.20798 numMergedOcc 0
4 mol 19 unq 0 iso 0 dist 8.40416 4.64838 9.95212 10.4416 8.54034 9.79414 numMergedOcc 0
5 mol 19 unq 1 iso 0 dist 7.75618 4.97119 9.95212 8.7083 8.54034 9.79414 numMergedOcc 0
6 mol 20 unq 0 iso 0 dist 7.51452 10.0815 5.86181 16.3456 9.07213 10.2902 numMergedOcc 0
7 mol 20 unq 1 iso 0 dist 7.51452 13.457 6.3253 16.3456 9.07213 5.22924 numMergedOcc 0
8 mol 20 unq 2 iso 0 dist 7.51452 11.3821 5.80568 16.3456 9.07213 9.92781 numMergedOcc 0
9 mol 20 unq 3 iso 0 dist 6.09764 8.96335 4.74809 4.95725 7.14069 10.5097 numMergedOcc 0
10 mol 20 unq 4 iso 0 dist 6.09764 8.96335 4.74809 5.84217 8.58641 12.7656 numMergedOcc 0
11 mol 20 unq 5 iso 0 dist 6.09764 8.96335 4.74809 4.18921 5.99466 10.2902 numMergedOcc 0
12 mol 20 unq 6 iso 0 dist 6.09764 6.05944 7.43882 4.95725 7.14069 10.3149 numMergedOcc 0
13 mol 20 unq 7 iso 0 dist 6.09764 6.05944 7.43882 5.84217 8.58641 9.84883 numMergedOcc 0
14 mol 20 unq 8 iso 0 dist 6.09764 6.05944 7.43882 4.18921 5.99466 5.22924 numMergedOcc 0
15 mol 20 unq 9 iso 0 dist 6.09764 7.46656 7.31198 4.95725 7.14069 11.2406 numMergedOcc 0
16 mol 20 unq 10 iso 0 dist 6.09764 7.46656 7.31198 5.84217 8.58641 13.0235 numMergedOcc 0
17 mol 20 unq 11 iso 0 dist 6.09764 7.46656 7.31198 4.18921 5.99466 9.92781 numMergedOcc 0
18 mol 20 unq 12 iso 0 dist 9.20198 8.96335 5.86181 4.18921 9.07213 10.2902 numMergedOcc 0
19 mol 20 unq 13 iso 0 dist 9.20198 6.05944 6.3253 4.18921 9.07213 5.22924 numMergedOcc 0
20 mol 20 unq 14 iso 0 dist 9.20198 7.46656 5.80568 4.18921 9.07213 9.92781 numMergedOcc 0
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22 mol 24 unq 1 iso 0 dist 9.41441 4.32034 8.00171 9.78753 9.87996 5.62738 numMergedOcc 0
23 mol 24 unq 2 iso 0 dist 9.41441 12.2662 5.95834 9.88364 9.85784 11.6859 numMergedOcc 0
24 mol 24 unq 3 iso 0 dist 9.41441 12.2662 5.95834 9.78753 9.87996 9.80106 numMergedOcc 0
25 mol 24 unq 4 iso 0 dist 9.41441 8.67951 4.2121 9.88364 9.85784 11.076 numMergedOcc 0
26 mol 24 unq 5 iso 0 dist 9.41441 8.67951 4.2121 9.78753 9.87996 9.68535 numMergedOcc 0
27 mol 24 unq 6 iso 0 dist 9.41441 8.52463 6.72323 9.88364 9.85784 14.6305 numMergedOcc 0
28 mol 24 unq 7 iso 0 dist 9.41441 8.52463 6.72323 9.78753 9.87996 14.3224 numMergedOcc 0
29 mol 24 unq 8 iso 0 dist 9.01567 6.66749 4.2121 8.91183 6.19899 4.08755 numMergedOcc 0
30 mol 24 unq 9 iso 0 dist 9.01567 6.66749 4.2121 13.0212 8.49709 6.86136 numMergedOcc 0
31 mol 24 unq 10 iso 0 dist 6.73939 6.56748 5.95834 15.4313 9.85784 11.6859 numMergedOcc 0
32 mol 24 unq 11 iso 0 dist 6.73939 6.56748 5.95834 14.1829 9.87996 9.80106 numMergedOcc 0
33 mol 24 unq 12 iso 0 dist 6.73939 4.50066 4.2121 15.4313 9.85784 11.076 numMergedOcc 0
34 mol 24 unq 13 iso 0 dist 6.73939 4.50066 4.2121 14.1829 9.87996 9.68535 numMergedOcc 0
35 mol 24 unq 14 iso 0 dist 6.73939 11.9112 8.00171 15.4313 9.85784 5.70626 numMergedOcc 0
36 mol 24 unq 15 iso 0 dist 6.73939 11.9112 8.00171 14.1829 9.87996 5.62738 numMergedOcc 0
37 mol 24 unq 16 iso 0 dist 6.73939 5.11617 6.72323 15.4313 9.85784 14.6305 numMergedOcc 0
38 mol 24 unq 17 iso 0 dist 6.73939 5.11617 6.72323 14.1829 9.87996 14.3224 numMergedOcc 0
39 mol 24 unq 18 iso 0 dist 8.4051 12.176 6.72323 10.1698 6.61696 4.08755 numMergedOcc 0
40 mol 24 unq 19 iso 0 dist 8.4051 12.176 6.72323 13.6174 5.80953 10.0453 numMergedOcc 0
41 mol 24 unq 20 iso 0 dist 7.29868 6.66749 6.72323 8.91183 6.61696 4.08755 numMergedOcc 0
42 mol 24 unq 21 iso 0 dist 7.29868 6.66749 6.72323 5.69214 5.80953 10.0453 numMergedOcc 0
43 mol 24 unq 22 iso 0 dist 8.60554 14.012 6.72323 14.8647 6.61696 4.08755 numMergedOcc 0
44 mol 24 unq 23 iso 0 dist 8.60554 14.012 6.72323 5.11636 5.80953 10.0453 numMergedOcc 0
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46 mol 25 unq 1 iso 0 dist 8.87757 7.33728 6.25843 8.79309 9.82987 7.91914 numMergedOcc 0
47 mol 25 unq 2 iso 0 dist 8.87757 7.33728 6.25843 14.9206 9.40732 10.9145 numMergedOcc 0
48 mol 25 unq 3 iso 0 dist 8.87757 7.33728 6.25843 13.6145 6.53269 9.62058 numMergedOcc 0
49 mol 25 unq 4 iso 0 dist 8.87757 13.9331 8.88938 4.69295 9.16515 13.4321 numMergedOcc 0
50 mol 25 unq 5 iso 0 dist 8.87757 13.9331 8.88938 8.79309 9.82987 9.66912 numMergedOcc 0
51 mol 25 unq 6 iso 0 dist 8.87757 13.9331 8.88938 14.9206 9.40732 5.86134 numMergedOcc 0
52 mol 25 unq 7 iso 0 dist 8.87757 13.9331 8.88938 13.6145 6.53269 5.38592 numMergedOcc 0
53 mol 25 unq 8 iso 0 dist 6.16347 6.08585 6.25843 5.63212 5.20109 3.904 numMergedOcc 0
54 mol 25 unq 9 iso 0 dist 7.45383 5.77929 6.25843 6.47509 5.20109 3.904 numMergedOcc 0
55 mol 25 unq 10 iso 0 dist 8.50222 9.34396 6.25843 13.2447 9.16515 4.98822 numMergedOcc 0
56 mol 25 unq 11 iso 0 dist 8.50222 9.34396 6.25843 11.8139 9.82987 7.91914 numMergedOcc 0
57 mol 25 unq 12 iso 0 dist 8.50222 9.34396 6.25843 6.28979 9.40732 10.9145 numMergedOcc 0
58 mol 25 unq 13 iso 0 dist 8.50222 9.34396 6.25843 5.18617 6.53269 9.62058 numMergedOcc 0
59 mol 25 unq 14 iso 0 dist 8.50222 10.5328 8.88938 13.2447 9.16515 13.4321 numMergedOcc 0
60 mol 25 unq 15 iso 0 dist 8.50222 10.5328 8.88938 11.8139 9.82987 9.66912 numMergedOcc 0
61 mol 25 unq 16 iso 0 dist 8.50222 10.5328 8.88938 6.28979 9.40732 5.86134 numMergedOcc 0
62 mol 25 unq 17 iso 0 dist 8.50222 10.5328 8.88938 5.18617 6.53269 5.38592 numMergedOcc 0
63 mol 25 unq 18 iso 0 dist 7.55264 10.8498 6.25843 14.9982 9.16515 4.98822 numMergedOcc 0
64 mol 25 unq 19 iso 0 dist 7.55264 10.8498 6.25843 14.1251 9.82987 7.91914 numMergedOcc 0
65 mol 25 unq 20 iso 0 dist 7.55264 10.8498 6.25843 8.41421 9.40732 10.9145 numMergedOcc 0
66 mol 25 unq 21 iso 0 dist 7.55264 10.8498 6.25843 5.68041 6.53269 9.62058 numMergedOcc 0
67 mol 25 unq 22 iso 0 dist 7.55264 10.4337 8.88938 14.9982 9.16515 13.4321 numMergedOcc 0
68 mol 25 unq 23 iso 0 dist 7.55264 10.4337 8.88938 14.1251 9.82987 9.66912 numMergedOcc 0
69 mol 25 unq 24 iso 0 dist 7.55264 10.4337 8.88938 8.41421 9.40732 5.86134 numMergedOcc 0
70 mol 25 unq 25 iso 0 dist 7.55264 10.4337 8.88938 5.68041 6.53269 5.38592 numMergedOcc 0
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107 mol 171 unq 9 iso 0 dist 5.93786 7.9651 5.25109 9.14311 5.74846 4.88147 numMergedOcc 0
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151 mol 274 unq 9 iso 0 dist 8.52587 16.3619 9.16942 16.9539 8.60027 5.39432 numMergedOcc 0
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153 mol 274 unq 11 iso 0 dist 6.39866 5.64601 9.16942 8.87855 8.60027 5.39432 numMergedOcc 0
