File: rxn2.mol

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rdkit 201809.1%2Bdfsg-6
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file content (41 lines) | stat: -rw-r--r-- 2,807 bytes parent folder | download | duplicates (8) 
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$RXN                                                                 
                                                                     
      RDKit                                                          
                                                                     
  1  1                                                               
$MOL                                                                 
                                                                     
     RDKit                                                           
                                                                     
  6  6  0  0  0  0  0  0  0  0999 V2000                              
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0                                                         
  2  3  4  0                                                         
  3  4  4  0                                                         
  4  5  4  0                                                         
  5  6  4  0                                                         
  6  1  4  0                                                         
M  END                                                               
$MOL                                                                 
                                                                     
     RDKit                                                           
                                                                     
  6  6  0  0  0  0  0  0  0  0999 V2000                              
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  4  0                                                         
  2  3  4  0                                                         
  3  4  4  0                                                         
  4  5  4  0                                                         
  5  6  4  0                                                         
  6  1  4  0                                                         
M  END