D0AV1B
AUTHOR    GENERATED BY OPEN BABEL 2.4.1
HETATM    1  C   UNL     1       1.241  -0.280   0.169  1.00  0.00           C  
HETATM    2  C   UNL     1       1.954  -0.500  -1.021  1.00  0.00           C  
HETATM    3  C   UNL     1       2.571  -1.760  -1.154  1.00  0.00           C  
HETATM    4  C   UNL     1       2.279  -2.749  -0.173  1.00  0.00           C  
HETATM    5  C   UNL     1       1.141  -2.611   0.617  1.00  0.00           C  
HETATM    6  C   UNL     1       0.552  -1.363   0.721  1.00  0.00           C  
HETATM    7  N   UNL     1       2.265   0.527   0.740  1.00  0.00           N  
HETATM    8  C   UNL     1       2.638   1.408  -0.269  1.00  0.00           C  
HETATM    9  C   UNL     1       2.246   0.809  -1.462  1.00  0.00           C  
HETATM   10  C   UNL     1       3.244  -3.826   0.014  1.00  0.00           C  
HETATM   11  N   UNL     1       4.366  -3.851  -0.655  1.00  0.00           N  
HETATM   12  C   UNL     1       4.895  -5.110  -0.609  1.00  0.00           C  
HETATM   13  C   UNL     1       4.384  -5.932   0.389  1.00  0.00           C  
HETATM   14  S   UNL     1       3.081  -5.095   1.153  1.00  0.00           S  
HETATM   15  C   UNL     1       5.800  -5.422  -1.746  1.00  0.00           C  
HETATM   16  C   UNL     1       4.741  -7.292   0.723  1.00  0.00           C  
HETATM   17  O   UNL     1       5.582  -7.955   0.176  1.00  0.00           O  
HETATM   18  O   UNL     1       4.010  -7.803   1.760  1.00  0.00           O  
HETATM   19  C   UNL     1      -0.744  -1.146   1.274  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.821  -1.016   1.680  1.00  0.00           N  
HETATM   21  C   UNL     1       3.747   0.989   2.734  1.00  0.00           C  
HETATM   22  C   UNL     1       3.210  -0.010   1.730  1.00  0.00           C  
HETATM   23  H   UNL     1       3.453  -1.846  -1.790  1.00  0.00           H  
HETATM   24  H   UNL     1       0.730  -3.448   1.179  1.00  0.00           H  
HETATM   25  H   UNL     1       3.289   2.252  -0.081  1.00  0.00           H  
HETATM   26  H   UNL     1       2.543   1.149  -2.446  1.00  0.00           H  
HETATM   27  H   UNL     1       6.679  -5.995  -1.455  1.00  0.00           H  
HETATM   28  H   UNL     1       6.125  -4.491  -2.216  1.00  0.00           H  
HETATM   29  H   UNL     1       5.220  -5.969  -2.492  1.00  0.00           H  
HETATM   30  H   UNL     1       3.360  -7.171   2.128  1.00  0.00           H  
HETATM   31  H   UNL     1       4.624   0.562   3.231  1.00  0.00           H  
HETATM   32  H   UNL     1       2.994   1.205   3.486  1.00  0.00           H  
HETATM   33  H   UNL     1       4.051   1.920   2.247  1.00  0.00           H  
HETATM   34  H   UNL     1       4.044  -0.456   1.165  1.00  0.00           H  
HETATM   35  H   UNL     1       2.720  -0.829   2.270  1.00  0.00           H  
CONECT    1    2    6    7                                            
CONECT    2    1    3    9                                            
CONECT    3    2    4   23                                            
CONECT    4    3    5   10                                            
CONECT    5    4    6   24                                            
CONECT    6    5    1   19                                            
CONECT    7    1    8   22                                            
CONECT    8    7    9   25                                            
CONECT    9    8    2   26                                            
CONECT   10    4   11   14                                            
CONECT   11   10   12                                                 
CONECT   12   11   13   15                                            
CONECT   13   12   14   16                                            
CONECT   14   13   10                                                 
CONECT   15   12   27   28   29                                       
CONECT   16   13   17   18                                            
CONECT   17   16                                                      
CONECT   18   16   30                                                 
CONECT   19    6   20                                                 
CONECT   20   19                                                      
CONECT   21   22   31   32   33                                       
CONECT   22    7   21   34   35                                       
CONECT   23    3                                                      
CONECT   24    5                                                      
CONECT   25    8                                                      
CONECT   26    9                                                      
CONECT   27   15                                                      
CONECT   28   15                                                      
CONECT   29   15                                                      
CONECT   30   18                                                      
CONECT   31   21                                                      
CONECT   32   21                                                      
CONECT   33   21                                                      
CONECT   34   22                                                      
CONECT   35   22                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
M  END

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