COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.599   1.477  -0.267  1.00  0.00           C  
HETATM    2  C   UNL     1       4.355   2.076  -0.295  1.00  0.00           C  
HETATM    3  C   UNL     1      -6.413   1.127   0.335  1.00  0.00           C  
HETATM    4  C   UNL     1      -8.294  -1.321  -0.677  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.723  -0.976   0.700  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.417  -0.243   0.533  1.00  0.00           C  
HETATM    7  C   UNL     1       3.310  -0.064   0.063  1.00  0.00           C  
HETATM    8  C   UNL     1       5.703   0.098  -0.072  1.00  0.00           C  
HETATM    9  C   UNL     1       9.031  -1.953   0.069  1.00  0.00           C  
HETATM   10  O   UNL     1     -10.030  -2.277   0.598  1.00  0.00           O  
HETATM   11  C   UNL     1      10.124  -2.985   0.167  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.428   1.889  -0.042  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.017   1.103   0.230  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.025  -0.271   0.423  1.00  0.00           C  
HETATM   15  N   UNL     1       9.208  -0.686  -0.121  1.00  0.00           N  
HETATM   16  N   UNL     1       8.185   0.052  -0.180  1.00  0.00           N  
HETATM   17  C   UNL     1       7.033  -0.547  -0.041  1.00  0.00           C  
HETATM   18  C   UNL     1       4.549  -0.669   0.093  1.00  0.00           C  
HETATM   19  C   UNL     1       3.209   1.307  -0.125  1.00  0.00           C  
HETATM   20  O   UNL     1       1.986   1.900  -0.153  1.00  0.00           O  
HETATM   21  C   UNL     1       0.850   1.050   0.018  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.645   0.979   0.140  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.838   1.763   0.084  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.224  -0.940   0.577  1.00  0.00           C  
HETATM   25  C   UNL     1      -9.600  -2.054  -0.509  1.00  0.00           C  
HETATM   26  O   UNL     1     -10.286  -2.458  -1.590  1.00  0.00           O  
HETATM   27  F   UNL     1      -7.580   1.806   0.292  1.00  0.00           F  
HETATM   28  C   UNL     1      -5.214   1.802   0.186  1.00  0.00           C  
HETATM   29  F   UNL     1       4.252   3.409  -0.488  1.00  0.00           F  
HETATM   30  S   UNL     1       7.351  -2.267   0.185  1.00  0.00           S  
HETATM   31  H   UNL     1       6.489   2.073  -0.399  1.00  0.00           H  
HETATM   32  H   UNL     1      -8.462  -0.403  -1.240  1.00  0.00           H  
HETATM   33  H   UNL     1      -7.589  -1.954  -1.215  1.00  0.00           H  
HETATM   34  H   UNL     1      -8.429  -0.343   1.238  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.555  -1.894   1.264  1.00  0.00           H  
HETATM   36  H   UNL     1       2.417  -0.657   0.195  1.00  0.00           H  
HETATM   37  H   UNL     1      10.435  -3.088   1.207  1.00  0.00           H  
HETATM   38  H   UNL     1       9.753  -3.943  -0.198  1.00  0.00           H  
HETATM   39  H   UNL     1      10.976  -2.671  -0.437  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.410   2.636   0.752  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.490   2.388  -1.009  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.094  -0.817   0.458  1.00  0.00           H  
HETATM   43  H   UNL     1       4.626  -1.736   0.239  1.00  0.00           H  
HETATM   44  H   UNL     1       0.911   0.551   0.985  1.00  0.00           H  
HETATM   45  H   UNL     1       0.832   0.303  -0.776  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.663   0.233  -0.653  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.583   0.480   1.107  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.229  -2.009   0.732  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.119  -2.924  -1.433  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.211   2.871   0.036  1.00  0.00           H  
CONECT    1    8    8    2   31                                       
CONECT    2   19   19    1   29                                       
CONECT    3   28   27    6    6                                       
CONECT    4    5   25   32   33                                       
CONECT    5    6    4   34   35                                       
CONECT    6    3    3   24    5                                       
CONECT    7   18   18   19   36                                       
CONECT    8   18   17    1    1                                       
CONECT    9   11   30   15   15                                       
CONECT   10   25   25                                                 
CONECT   11    9   37   38   39                                       
CONECT   12   21   22   40   41                                       
CONECT   13   23   28   28   14                                       
CONECT   14   13   24   24   42                                       
CONECT   15    9    9   16                                            
CONECT   16   17   17   15                                            
CONECT   17   30    8   16   16                                       
CONECT   18    7    7    8   43                                       
CONECT   19    7    2    2   20                                       
CONECT   20   21   19                                                 
CONECT   21   20   12   44   45                                       
CONECT   22   12   23   46   47                                       
CONECT   23   22   13                                                 
CONECT   24   14   14    6   48                                       
CONECT   25    4   10   10   26                                       
CONECT   26   25   49                                                 
CONECT   27    3                                                      
CONECT   28   13   13    3   50                                       
CONECT   29    2                                                      
CONECT   30    9   17                                                 
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   18                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   22                                                      
CONECT   47   22                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
