m545.cdx
  corina  12080917093D 1   1.00000     0.00000 
CORINA 3.46 0026  05.08.2008
 18 18  0  0  0  0  0  0  0  0999 V2000
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   -0.0236   -0.0738    0.0202 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.3852   -0.5582    1.2372 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2533   -1.7168    1.9121 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4711   -0.0187    1.1630 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4510   -2.2624    2.5254 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5463    1.9856   -0.0244 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5719    3.3300    0.0663 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5404    3.9465    0.2458 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7404    3.9900   -0.0420 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.6926    5.4372    0.0656 C   0  0  0  0  0  0  0  0  0  0  0  0
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    3.7978    6.0015   -1.0397 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0      
  2  3  1  0      
  3  4  2  0      
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  6  1  1  0      
  4  7  1  0      
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  8 10  1  0      
  5 11  1  0      
 11 12  1  0      
 12 13  2  0      
 12 14  1  0      
 14 15  1  0      
 15 16  1  0      
 15 17  1  0      
 15 18  1  0      
M  END
$$$$