COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.196   0.291   0.081  1.00  0.00           C  
HETATM    2  C   UNL     1       5.508  -0.971   0.771  1.00  0.00           C  
HETATM    3  N   UNL     1       4.537  -1.885   0.930  1.00  0.00           N  
HETATM    4  C   UNL     1       3.325  -1.673   0.484  1.00  0.00           C  
HETATM    5  C   UNL     1       2.964  -0.496  -0.179  1.00  0.00           C  
HETATM    6  C   UNL     1       3.885   0.495  -0.389  1.00  0.00           C  
HETATM    7  C   UNL     1       6.375   1.028   0.057  1.00  0.00           C  
HETATM    8  N   UNL     1       7.320   0.304   0.675  1.00  0.00           N  
HETATM    9  N   UNL     1       6.784  -0.914   1.106  1.00  0.00           N  
HETATM   10  N   UNL     1       1.648  -0.329  -0.634  1.00  0.00           N  
HETATM   11  C   UNL     1       0.622  -0.855   0.065  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.750  -0.782  -0.472  1.00  0.00           C  
HETATM   13  O   UNL     1       0.828  -1.389   1.138  1.00  0.00           O  
HETATM   14  C   UNL     1      -1.566   0.312  -0.168  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.856   0.372  -0.678  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.332  -0.652  -1.486  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.528  -1.735  -1.787  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.240  -1.805  -1.291  1.00  0.00           C  
HETATM   19  F   UNL     1      -0.456  -2.863  -1.593  1.00  0.00           F  
HETATM   20  F   UNL     1      -1.101   1.307   0.619  1.00  0.00           F  
HETATM   21  N   UNL     1      -3.677   1.466  -0.377  1.00  0.00           N  
HETATM   22  S   UNL     1      -5.305   1.245  -0.166  1.00  0.00           S  
HETATM   23  C   UNL     1      -5.428   0.085   1.223  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.902  -0.201   1.519  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.006  -1.180   2.691  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.786   2.528   0.211  1.00  0.00           O  
HETATM   27  O   UNL     1      -5.734   0.627  -1.371  1.00  0.00           O  
HETATM   28  O   UNL     1       6.539   2.257  -0.491  1.00  0.00           O  
HETATM   29  C   UNL     1       7.841   2.838  -0.403  1.00  0.00           C  
HETATM   30  H   UNL     1       2.575  -2.435   0.635  1.00  0.00           H  
HETATM   31  H   UNL     1       3.614   1.407  -0.901  1.00  0.00           H  
HETATM   32  H   UNL     1       1.475   0.164  -1.451  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.336  -0.601  -1.881  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.906  -2.527  -2.416  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.292   2.352  -0.292  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.922  -0.845   0.966  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.959   0.523   2.105  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.408   0.729   1.776  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.371  -0.638   0.638  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.056  -1.384   2.901  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.499  -2.110   2.433  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.537  -0.742   3.572  1.00  0.00           H  
HETATM   43  H   UNL     1       8.561   2.194  -0.908  1.00  0.00           H  
HETATM   44  H   UNL     1       7.835   3.819  -0.880  1.00  0.00           H  
HETATM   45  H   UNL     1       8.122   2.945   0.644  1.00  0.00           H  
HETATM   46  H   UNL     1       8.241   0.583   0.801  1.00  0.00           H  
CONECT    1    7    7    6    2                                       
CONECT    2    1    9    9    3                                       
CONECT    3    2    4    4                                            
CONECT    4    3    3    5   30                                       
CONECT    5    4    6    6   10                                       
CONECT    6    1    5    5   31                                       
CONECT    7    1    1   28    8                                       
CONECT    8    7    9   46                                            
CONECT    9    2    2    8                                            
CONECT   10    5   11   32                                            
CONECT   11   10   12   13   13                                       
CONECT   12   11   18   18   14                                       
CONECT   13   11   11                                                 
CONECT   14   12   15   15   20                                       
CONECT   15   14   14   16   21                                       
CONECT   16   15   17   17   33                                       
CONECT   17   16   16   18   34                                       
CONECT   18   12   12   17   19                                       
CONECT   19   18                                                      
CONECT   20   14                                                      
CONECT   21   15   22   35                                            
CONECT   22   21   26   26   23                                       
CONECT   22   27   27                                                 
CONECT   23   22   24   36   37                                       
CONECT   24   23   25   38   39                                       
CONECT   25   24   40   41   42                                       
CONECT   26   22   22                                                 
CONECT   27   22   22                                                 
CONECT   28    7   29                                                 
CONECT   29   28   43   44   45                                       
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32   10                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   21                                                      
CONECT   36   23                                                      
CONECT   37   23                                                      
CONECT   38   24                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
CONECT   42   25                                                      
CONECT   43   29                                                      
CONECT   44   29                                                      
CONECT   45   29                                                      
CONECT   46    8                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
