COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.120   4.273   0.003  1.00  0.00           C  
HETATM    2  C   UNL     1       3.608   2.856  -0.001  1.00  0.00           C  
HETATM    3  N   UNL     1       4.369   1.765  -0.001  1.00  0.00           N  
HETATM    4  N   UNL     1       2.345   2.509   0.001  1.00  0.00           N  
HETATM    5  N   UNL     1       2.302   1.109  -0.004  1.00  0.00           N  
HETATM    6  C   UNL     1       3.605   0.693  -0.004  1.00  0.00           C  
HETATM    7  C   UNL     1       3.861  -0.752  -0.006  1.00  0.00           C  
HETATM    8  C   UNL     1       5.153  -1.274  -0.004  1.00  0.00           C  
HETATM    9  C   UNL     1       5.336  -2.639  -0.005  1.00  0.00           C  
HETATM   10  C   UNL     1       4.244  -3.497  -0.009  1.00  0.00           C  
HETATM   11  C   UNL     1       2.959  -3.004  -0.012  1.00  0.00           C  
HETATM   12  C   UNL     1       2.747  -1.622  -0.010  1.00  0.00           C  
HETATM   13  N   UNL     1       1.497  -1.100  -0.012  1.00  0.00           N  
HETATM   14  C   UNL     1       1.286   0.192  -0.004  1.00  0.00           C  
HETATM   15  S   UNL     1      -0.377   0.775   0.002  1.00  0.00           S  
HETATM   16  C   UNL     1      -1.263  -0.803  -0.001  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.748  -0.546   0.003  1.00  0.00           C  
HETATM   18  N   UNL     1      -3.485  -0.415  -1.061  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.775  -0.193  -0.698  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.956   0.014  -1.416  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.131   0.215  -0.750  1.00  0.00           C  
HETATM   22  C   UNL     1      -7.167   0.218   0.637  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.014   0.016   1.366  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.811  -0.191   0.706  1.00  0.00           C  
HETATM   25  N   UNL     1      -3.514  -0.422   1.121  1.00  0.00           N  
HETATM   26  H   UNL     1       4.247   4.617  -1.023  1.00  0.00           H  
HETATM   27  H   UNL     1       3.406   4.916   0.516  1.00  0.00           H  
HETATM   28  H   UNL     1       5.079   4.311   0.520  1.00  0.00           H  
HETATM   29  H   UNL     1       6.006  -0.612  -0.002  1.00  0.00           H  
HETATM   30  H   UNL     1       6.336  -3.046  -0.004  1.00  0.00           H  
HETATM   31  H   UNL     1       4.405  -4.565  -0.011  1.00  0.00           H  
HETATM   32  H   UNL     1       2.118  -3.681  -0.016  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.996  -1.369  -0.894  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.991  -1.375   0.886  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.206  -0.482   2.038  1.00  0.00           H  
HETATM   36  H   UNL     1      -5.939   0.014  -2.496  1.00  0.00           H  
HETATM   37  H   UNL     1      -8.042   0.374  -1.308  1.00  0.00           H  
HETATM   38  H   UNL     1      -8.104   0.379   1.149  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.047   0.020   2.446  1.00  0.00           H  
CONECT    1    2   26   27   28                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2    6    6                                            
CONECT    4    2    2    5                                            
CONECT    5    4    6   14                                            
CONECT    6    3    3    5    7                                       
CONECT    7    6    8   12   12                                       
CONECT    8    7    9    9   29                                       
CONECT    9    8    8   10   30                                       
CONECT   10    9   11   11   31                                       
CONECT   11   10   10   12   32                                       
CONECT   12    7    7   11   13                                       
CONECT   13   12   14   14                                            
CONECT   14    5   13   13   15                                       
CONECT   15   14   16                                                 
CONECT   16   15   17   33   34                                       
CONECT   17   16   18   18   25                                       
CONECT   18   17   17   19                                            
CONECT   19   18   20   24   24                                       
CONECT   20   19   21   21   36                                       
CONECT   21   20   20   22   37                                       
CONECT   22   21   23   23   38                                       
CONECT   23   22   22   24   39                                       
CONECT   24   19   19   23   25                                       
CONECT   25   17   24   35                                            
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    8                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   25                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
