COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.521   2.097   0.314  1.00  0.00           N  
HETATM    2  C   UNL     1      -7.525   1.559   0.218  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.270   0.881   0.096  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.083   1.510   0.487  1.00  0.00           C  
HETATM    5  N   UNL     1      -3.929   0.892   0.378  1.00  0.00           N  
HETATM    6  C   UNL     1      -6.214  -0.423  -0.409  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.977  -1.037  -0.507  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.839  -0.343  -0.102  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.511  -0.992  -0.204  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.420  -2.124  -0.638  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.405  -0.329   0.185  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.166  -0.979   0.193  1.00  0.00           C  
HETATM   13  C   UNL     1       0.994  -0.269  -0.092  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.093  -2.333   0.493  1.00  0.00           C  
HETATM   15  C   UNL     1       1.131  -2.972   0.501  1.00  0.00           C  
HETATM   16  C   UNL     1       2.285  -2.264   0.211  1.00  0.00           C  
HETATM   17  F   UNL     1       3.482  -2.892   0.219  1.00  0.00           F  
HETATM   18  C   UNL     1       2.215  -0.913  -0.083  1.00  0.00           C  
HETATM   19  C   UNL     1       3.473  -0.145  -0.399  1.00  0.00           C  
HETATM   20  C   UNL     1       4.100  -0.739  -1.662  1.00  0.00           C  
HETATM   21  C   UNL     1       4.431  -0.318   0.729  1.00  0.00           C  
HETATM   22  C   UNL     1       5.266   0.587   1.154  1.00  0.00           C  
HETATM   23  S   UNL     1       5.369   2.186   0.434  1.00  0.00           S  
HETATM   24  C   UNL     1       3.815   2.270  -0.380  1.00  0.00           C  
HETATM   25  N   UNL     1       3.118   1.231  -0.666  1.00  0.00           N  
HETATM   26  N   UNL     1       3.322   3.507  -0.728  1.00  0.00           N  
HETATM   27  H   UNL     1      -5.116   2.515   0.881  1.00  0.00           H  
HETATM   28  H   UNL     1      -7.113  -0.937  -0.714  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.896  -2.043  -0.892  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.467   0.600   0.460  1.00  0.00           H  
HETATM   31  H   UNL     1       0.940   0.785  -0.322  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.993  -2.885   0.720  1.00  0.00           H  
HETATM   33  H   UNL     1       1.188  -4.025   0.734  1.00  0.00           H  
HETATM   34  H   UNL     1       3.396  -0.657  -2.490  1.00  0.00           H  
HETATM   35  H   UNL     1       5.013  -0.194  -1.905  1.00  0.00           H  
HETATM   36  H   UNL     1       4.339  -1.789  -1.490  1.00  0.00           H  
HETATM   37  H   UNL     1       4.432  -1.272   1.236  1.00  0.00           H  
HETATM   38  H   UNL     1       5.920   0.345   1.979  1.00  0.00           H  
HETATM   39  H   UNL     1       3.831   4.307  -0.522  1.00  0.00           H  
HETATM   40  H   UNL     1       2.466   3.579  -1.178  1.00  0.00           H  
CONECT    1    2    2    2                                            
CONECT    2    3    1    1    1                                       
CONECT    3    6    6    4    2                                       
CONECT    4    5    5    3   27                                       
CONECT    5    8    4    4                                            
CONECT    6    7    3    3   28                                       
CONECT    7    8    8    6   29                                       
CONECT    8    9    7    7    5                                       
CONECT    9   10   10   11    8                                       
CONECT   10    9    9                                                 
CONECT   11   12    9   30                                            
CONECT   12   14   14   13   11                                       
CONECT   13   18   18   12   31                                       
CONECT   14   15   12   12   32                                       
CONECT   15   16   16   14   33                                       
CONECT   16   17   15   15   18                                       
CONECT   17   16                                                      
CONECT   18   16   19   13   13                                       
CONECT   19   21   20   18   25                                       
CONECT   20   19   34   35   36                                       
CONECT   21   22   22   19   37                                       
CONECT   22   21   21   23   38                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   25   26                                       
CONECT   25   19   24   24                                            
CONECT   26   24   39   40                                            
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30   11                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   15                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   26                                                      
CONECT   40   26                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
