COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  F   UNK A   1      -7.275  -3.158   0.199  1.00  0.00           F  
HETATM    2  C   UNK A   1      -6.467  -2.086   0.352  1.00  0.00           C  
HETATM    3  C   UNK A   1      -6.526  -1.039  -0.553  1.00  0.00           C  
HETATM    4  C   UNK A   1      -5.700   0.057  -0.395  1.00  0.00           C  
HETATM    5  C   UNK A   1      -5.584  -2.030   1.417  1.00  0.00           C  
HETATM    6  C   UNK A   1      -4.760  -0.932   1.573  1.00  0.00           C  
HETATM    7  C   UNK A   1      -4.815   0.110   0.666  1.00  0.00           C  
HETATM    8  C   UNK A   1      -3.915   1.306   0.837  1.00  0.00           C  
HETATM    9  S   UNK A   1      -2.356   1.021  -0.047  1.00  0.00           S  
HETATM   10  C   UNK A   1      -1.422   2.543   0.272  1.00  0.00           C  
HETATM   11  C   UNK A   1      -0.059   2.459  -0.418  1.00  0.00           C  
HETATM   12  C   UNK A   1       0.717   3.723  -0.154  1.00  0.00           C  
HETATM   13  O   UNK A   1       0.225   4.908  -0.550  1.00  0.00           O  
HETATM   14  O   UNK A   1       1.781   3.671   0.415  1.00  0.00           O  
HETATM   15  N   UNK A   1       0.684   1.311   0.107  1.00  0.00           N  
HETATM   16  C   UNK A   0       1.640   0.727  -0.642  1.00  0.00           C  
HETATM   17  O   UNK A   0       1.887   1.153  -1.753  1.00  0.00           O  
HETATM   18  N   UNK A   1       2.324  -0.329  -0.158  1.00  0.00           N  
HETATM   19  C   UNK A   1       3.364  -0.963  -0.972  1.00  0.00           C  
HETATM   20  C   UNK A   1       2.733  -1.977  -1.892  1.00  0.00           C  
HETATM   21  O   UNK A   1       3.499  -2.685  -2.736  1.00  0.00           O  
HETATM   22  O   UNK A   1       1.538  -2.151  -1.870  1.00  0.00           O  
HETATM   23  C   UNK A   1       4.372  -1.662  -0.058  1.00  0.00           C  
HETATM   24  C   UNK A   1       5.102  -0.618   0.789  1.00  0.00           C  
HETATM   25  C   UNK A   1       6.095  -1.307   1.690  1.00  0.00           C  
HETATM   26  O   UNK A   1       6.855  -0.584   2.528  1.00  0.00           O  
HETATM   27  O   UNK A   1       6.207  -2.509   1.657  1.00  0.00           O  
HETATM   28  H   UNK A   1      -7.217  -1.080  -1.382  1.00  0.00           H  
HETATM   29  H   UNK A   1      -5.746   0.874  -1.100  1.00  0.00           H  
HETATM   30  H   UNK A   1      -5.541  -2.843   2.126  1.00  0.00           H  
HETATM   31  H   UNK A   1      -4.071  -0.888   2.404  1.00  0.00           H  
HETATM   32  H   UNK A   1      -4.405   2.191   0.432  1.00  0.00           H  
HETATM   33  H   UNK A   1      -3.709   1.457   1.897  1.00  0.00           H  
HETATM   34  H   UNK A   1      -1.975   3.397  -0.119  1.00  0.00           H  
HETATM   35  H   UNK A   1      -1.279   2.664   1.346  1.00  0.00           H  
HETATM   36  H   UNK A   1      -0.202   2.338  -1.492  1.00  0.00           H  
HETATM   37  H   UNK A   1       0.759   5.691  -0.359  1.00  0.00           H  
HETATM   38  H   UNK A   1       0.488   0.971   0.994  1.00  0.00           H  
HETATM   39  H   UNK A   1       2.128  -0.669   0.729  1.00  0.00           H  
HETATM   40  H   UNK A   1       3.876  -0.204  -1.564  1.00  0.00           H  
HETATM   41  H   UNK A   1       3.049  -3.324  -3.307  1.00  0.00           H  
HETATM   42  H   UNK A   1       3.847  -2.359   0.596  1.00  0.00           H  
HETATM   43  H   UNK A   1       5.095  -2.208  -0.664  1.00  0.00           H  
HETATM   44  H   UNK A   1       5.627   0.078   0.135  1.00  0.00           H  
HETATM   45  H   UNK A   1       4.379  -0.072   1.395  1.00  0.00           H  
HETATM   46  H   UNK A   1       7.477  -1.070   3.086  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    5    5    3                                       
CONECT    3    2    4    4   28                                       
CONECT    4    3    3    7   29                                       
CONECT    5    2    2    6   30                                       
CONECT    6    5    7    7   31                                       
CONECT    7    4    6    6    8                                       
CONECT    8    7    9   32   33                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   34   35                                       
CONECT   11   10   15   12   36                                       
CONECT   12   11   14   14   13                                       
CONECT   13   12   37                                                 
CONECT   14   12   12                                                 
CONECT   15   11   16   38                                            
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   39                                            
CONECT   19   18   20   23   40                                       
CONECT   20   19   22   22   21                                       
CONECT   21   20   41                                                 
CONECT   22   20   20                                                 
CONECT   23   19   24   42   43                                       
CONECT   24   23   25   44   45                                       
CONECT   25   24   27   27   26                                       
CONECT   26   25   46                                                 
CONECT   27   25   25                                                 
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   24                                                      
CONECT   46   26                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
