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72eaf4162e
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6 changed files with 6 additions and 6 deletions
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$G31
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21 1 1 0
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G31
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1 C1 AC 3 0 0 1 1 0.056658 0.000000
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1 C1 AC 3 0 0 1 1 0.056660 0.000000
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2 H1 H2 0 0 0 1 1 0.116313 0.000000
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3 C2 CT 0 0 0 1 1 0.348685 0.000000
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4 H2 H1 0 0 0 1 1 -0.005043 0.000000
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$G61
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21 1 1 0
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G61
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1 C1 AC 3 0 0 1 1 -0.082412 0.000000
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1 C1 AC 3 0 0 1 1 -0.082413 0.000000
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2 H1 H2 0 0 0 1 1 0.149744 0.000000
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3 C2 CT 0 0 0 1 1 0.518148 0.000000
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4 H2 H1 0 0 0 1 1 -0.024679 0.000000
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$G64
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20 1 1 0
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G64
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1 C1 AC 3 0 0 1 1 0.175808 0.000000
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1 C1 AC 3 0 0 1 1 0.175807 0.000000
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2 H1 H2 0 0 0 1 1 0.073262 0.000000
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3 C2 CT 0 0 0 1 1 0.591933 0.000000
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4 H2 H1 0 0 0 1 1 -0.066911 0.000000
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$GAO
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29 1 1 0
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GAO
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1 C1 AC 3 0 0 1 1 -0.234054 0.000000
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1 C1 AC 3 0 0 1 1 -0.234052 0.000000
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2 H1 H2 0 0 0 1 1 0.268381 0.000000
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3 C2 CT 0 0 0 1 1 0.924229 0.000000
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4 H2 H1 0 0 0 1 1 -0.165925 0.000000
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$HPD
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25 1 1 0
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HPD
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1 C1 AC 0 0 0 1 1 0.270017 0.000000
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1 C1 AC 0 0 0 1 1 0.270018 0.000000
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2 H1 H2 0 0 0 1 1 0.105146 0.000000
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3 O1 OG 3 0 0 1 1 -0.119726 0.000000
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4 C2 CT 0 0 0 1 1 0.329208 0.000000
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$KDN
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26 1 1 0
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KDN
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1 C1 C 0 1 0 1 1 1.257695 0.000000
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1 C1 C 0 1 0 1 1 1.257694 0.000000
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2 O1 O2 0 0 0 1 1 -1.011582 0.000000
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3 O O2 0 0 0 1 1 -1.011582 0.000000
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4 C2 AC 3 0 0 1 1 0.200039 0.000000
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