COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.185   2.541  -0.139  1.00  0.00           C  
HETATM    2  N   UNL     1       1.717   2.536  -0.191  1.00  0.00           N  
HETATM    3  C   UNL     1       1.357   1.431  -1.091  1.00  0.00           C  
HETATM    4  C   UNL     1       2.561   1.177  -1.994  1.00  0.00           C  
HETATM    5  C   UNL     1       3.586   2.226  -1.570  1.00  0.00           C  
HETATM    6  C   UNL     1       5.025   1.756  -1.701  1.00  0.00           C  
HETATM    7  C   UNL     1       1.046   0.251  -0.225  1.00  0.00           C  
HETATM    8  O   UNL     1       1.618   0.110   0.858  1.00  0.00           O  
HETATM    9  N   UNL     1       0.102  -0.635  -0.729  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.285  -1.827   0.015  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.783  -2.870  -0.968  1.00  0.00           C  
HETATM   12  S   UNL     1      -1.682  -1.905  -2.203  1.00  0.00           S  
HETATM   13  C   UNL     1      -0.679  -0.422  -1.941  1.00  0.00           C  
HETATM   14  N   UNL     1       5.297   1.413  -3.056  1.00  0.00           N  
HETATM   15  C   UNL     1       5.782   2.328  -3.994  1.00  0.00           C  
HETATM   16  O   UNL     1       6.021   3.507  -3.747  1.00  0.00           O  
HETATM   17  N   UNL     1       5.699   0.520  -5.634  1.00  0.00           N  
HETATM   18  C   UNL     1       5.962   0.313  -6.906  1.00  0.00           C  
HETATM   19  S   UNL     1       6.554   1.658  -7.792  1.00  0.00           S  
HETATM   20  C   UNL     1       6.455   2.609  -6.368  1.00  0.00           C  
HETATM   21  C   UNL     1       5.990   1.819  -5.374  1.00  0.00           C  
HETATM   22  H   UNL     1       3.545   1.776   0.559  1.00  0.00           H  
HETATM   23  H   UNL     1       3.562   3.515   0.189  1.00  0.00           H  
HETATM   24  H   UNL     1       1.311   2.435   0.737  1.00  0.00           H  
HETATM   25  H   UNL     1       0.458   1.675  -1.665  1.00  0.00           H  
HETATM   26  H   UNL     1       2.957   0.162  -1.869  1.00  0.00           H  
HETATM   27  H   UNL     1       2.302   1.309  -3.050  1.00  0.00           H  
HETATM   28  H   UNL     1       3.455   3.122  -2.191  1.00  0.00           H  
HETATM   29  H   UNL     1       5.163   0.886  -1.074  1.00  0.00           H  
HETATM   30  H   UNL     1       5.684   2.557  -1.394  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.080  -1.531   0.711  1.00  0.00           H  
HETATM   32  H   UNL     1       0.552  -2.203   0.612  1.00  0.00           H  
HETATM   33  H   UNL     1       0.054  -3.375  -1.462  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.420  -3.619  -0.491  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.316   0.458  -1.808  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.002  -0.253  -2.783  1.00  0.00           H  
HETATM   37  H   UNL     1       5.067   0.465  -3.369  1.00  0.00           H  
HETATM   38  H   UNL     1       5.814  -0.650  -7.375  1.00  0.00           H  
HETATM   39  H   UNL     1       6.740   3.652  -6.365  1.00  0.00           H  
CONECT    1    2    5   22   23                                       
CONECT    2    1    3   24                                            
CONECT    3    2    7    4   25                                       
CONECT    4    3    5   26   27                                       
CONECT    5    1    4    6   28                                       
CONECT    6    5   14   29   30                                       
CONECT    7    3    9    8    8                                       
CONECT    8    7    7                                                 
CONECT    9    7   10   13                                            
CONECT   10    9   11   31   32                                       
CONECT   11   10   12   33   34                                       
CONECT   12   11   13                                                 
CONECT   13    9   12   35   36                                       
CONECT   14    6   15   37                                            
CONECT   15   14   21   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   21   18   18                                            
CONECT   18   17   17   19   38                                       
CONECT   19   18   20                                                 
CONECT   20   19   21   21   39                                       
CONECT   21   15   17   20   20                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   18                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
