COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.244  -0.386  -5.433  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.598   0.760  -4.875  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.324   0.335  -4.192  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.361  -0.004  -2.919  1.00  0.00           N  
HETATM    5  C   UNL     1       0.744  -0.378  -2.284  1.00  0.00           C  
HETATM    6  C   UNL     1       1.948  -0.418  -2.990  1.00  0.00           C  
HETATM    7  C   UNL     1       1.938  -0.059  -4.324  1.00  0.00           C  
HETATM    8  N   UNL     1       0.795   0.308  -4.886  1.00  0.00           N  
HETATM    9  N   UNL     1       0.702  -0.729  -0.944  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.691  -0.579  -0.513  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.818  -0.976   0.961  1.00  0.00           C  
HETATM   12  N   UNL     1       0.122  -0.159   1.744  1.00  0.00           N  
HETATM   13  S   UNL     1      -0.368   0.633   3.112  1.00  0.00           S  
HETATM   14  O   UNL     1      -1.775   0.785   2.987  1.00  0.00           O  
HETATM   15  N   UNL     1      -0.138  -0.394   4.389  1.00  0.00           N  
HETATM   16  C   UNL     1       1.136  -0.393   5.111  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.210  -1.306   4.798  1.00  0.00           C  
HETATM   18  O   UNL     1       0.559   1.693   3.298  1.00  0.00           O  
HETATM   19  C   UNL     1       1.512  -0.064   1.268  1.00  0.00           C  
HETATM   20  C   UNL     1       1.495   0.271  -0.222  1.00  0.00           C  
HETATM   21  H   UNL     1      -3.053  -0.071  -5.859  1.00  0.00           H  
HETATM   22  H   UNL     1      -2.260   1.232  -4.148  1.00  0.00           H  
HETATM   23  H   UNL     1      -1.366   1.469  -5.669  1.00  0.00           H  
HETATM   24  H   UNL     1       2.865  -0.722  -2.506  1.00  0.00           H  
HETATM   25  H   UNL     1       2.850  -0.078  -4.902  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.330  -1.223  -1.118  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.001   0.458  -0.638  1.00  0.00           H  
HETATM   28  H   UNL     1      -0.574  -2.031   1.079  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.836  -0.793   1.304  1.00  0.00           H  
HETATM   30  H   UNL     1       1.100  -1.130   5.913  1.00  0.00           H  
HETATM   31  H   UNL     1       1.943  -0.643   4.423  1.00  0.00           H  
HETATM   32  H   UNL     1       1.313   0.595   5.534  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.877  -1.900   5.649  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.090  -0.728   5.080  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.460  -1.967   3.969  1.00  0.00           H  
HETATM   36  H   UNL     1       2.036   0.719   1.815  1.00  0.00           H  
HETATM   37  H   UNL     1       2.013  -1.019   1.424  1.00  0.00           H  
HETATM   38  H   UNL     1       2.515   0.273  -0.606  1.00  0.00           H  
HETATM   39  H   UNL     1       1.052   1.257  -0.364  1.00  0.00           H  
CONECT    1    2   21                                                 
CONECT    2    1    3   22   23                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5                                            
CONECT    5    4    6    6    9                                       
CONECT    6    5    5    7   24                                       
CONECT    7    6    8    8   25                                       
CONECT    8    3    7    7                                            
CONECT    9    5   10   20                                            
CONECT   10    9   11   26   27                                       
CONECT   11   10   12   28   29                                       
CONECT   12   11   13   19                                            
CONECT   13   12   14   14   15                                       
CONECT   13   18   18                                                 
CONECT   14   13   13                                                 
CONECT   15   13   16   17                                            
CONECT   16   15   30   31   32                                       
CONECT   17   15   33   34   35                                       
CONECT   18   13   13                                                 
CONECT   19   12   20   36   37                                       
CONECT   20    9   19   38   39                                       
CONECT   21    1                                                      
CONECT   22    2                                                      
CONECT   23    2                                                      
CONECT   24    6                                                      
CONECT   25    7                                                      
CONECT   26   10                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   16                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   17                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
