COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.463   3.251   1.462  1.00  0.00           C  
HETATM    2  C   UNL     1       5.267  -0.175   2.083  1.00  0.00           C  
HETATM    3  C   UNL     1       5.170   0.310  -0.340  1.00  0.00           C  
HETATM    4  C   UNL     1       5.128  -1.018  -2.328  1.00  0.00           C  
HETATM    5  C   UNL     1       4.660  -0.771  -1.050  1.00  0.00           C  
HETATM    6  C   UNL     1       1.166  -1.674  -0.087  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.113  -1.727   0.254  1.00  0.00           C  
HETATM    8  C   UNL     1       0.122  -3.519   1.015  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.434  -1.076   0.096  1.00  0.00           C  
HETATM   10  N   UNL     1      -3.625  -1.595   0.530  1.00  0.00           N  
HETATM   11  C   UNL     1      -4.609  -0.688   0.194  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.986  -0.655   0.366  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.069   1.482  -0.734  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.955   0.378  -0.450  1.00  0.00           C  
HETATM   15  S   UNL     1       3.542   1.711   1.198  1.00  0.00           S  
HETATM   16  O   UNL     1       2.902   1.300   2.398  1.00  0.00           O  
HETATM   17  O   UNL     1       2.831   1.759  -0.032  1.00  0.00           O  
HETATM   18  N   UNL     1       4.713   0.567   0.947  1.00  0.00           N  
HETATM   19  N   UNL     1       6.092   1.094  -0.877  1.00  0.00           N  
HETATM   20  C   UNL     1       6.557   0.882  -2.094  1.00  0.00           C  
HETATM   21  C   UNL     1       6.094  -0.172  -2.855  1.00  0.00           C  
HETATM   22  C   UNL     1       3.611  -1.662  -0.435  1.00  0.00           C  
HETATM   23  N   UNL     1       2.294  -1.037  -0.580  1.00  0.00           N  
HETATM   24  N   UNL     1      -0.032  -1.116  -0.213  1.00  0.00           N  
HETATM   25  N   UNL     1      -1.041  -2.906   0.857  1.00  0.00           N  
HETATM   26  C   UNL     1       1.273  -2.917   0.544  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.710   0.424  -0.096  1.00  0.00           C  
HETATM   28 CL   UNL     1      -8.432   0.463   0.120  1.00  0.00          Cl  
HETATM   29  F   UNL     1      -6.792   2.533  -1.180  1.00  0.00           F  
HETATM   30  C   UNL     1      -4.704   1.467  -0.913  1.00  0.00           C  
HETATM   31  N   UNL     1      -2.639   0.085  -0.473  1.00  0.00           N  
HETATM   32  H   UNL     1       5.115   3.140   2.328  1.00  0.00           H  
HETATM   33  H   UNL     1       5.064   3.471   0.580  1.00  0.00           H  
HETATM   34  H   UNL     1       3.762   4.068   1.637  1.00  0.00           H  
HETATM   35  H   UNL     1       4.627  -1.027   2.308  1.00  0.00           H  
HETATM   36  H   UNL     1       6.268  -0.528   1.833  1.00  0.00           H  
HETATM   37  H   UNL     1       5.320   0.480   2.953  1.00  0.00           H  
HETATM   38  H   UNL     1       4.749  -1.850  -2.903  1.00  0.00           H  
HETATM   39  H   UNL     1       0.170  -4.478   1.508  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.752  -2.441   0.987  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.490  -1.472   0.860  1.00  0.00           H  
HETATM   42  H   UNL     1       7.309   1.543  -2.500  1.00  0.00           H  
HETATM   43  H   UNL     1       6.481  -0.338  -3.850  1.00  0.00           H  
HETATM   44  H   UNL     1       3.612  -2.627  -0.941  1.00  0.00           H  
HETATM   45  H   UNL     1       3.831  -1.806   0.623  1.00  0.00           H  
HETATM   46  H   UNL     1       2.211  -0.176  -1.020  1.00  0.00           H  
HETATM   47  H   UNL     1       2.234  -3.396   0.661  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.213   2.291  -1.409  1.00  0.00           H  
CONECT    1   15   32   33   34                                       
CONECT    2   18   35   36   37                                       
CONECT    3   18    5    5   19                                       
CONECT    4    5   21   21   38                                       
CONECT    5   22    3    3    4                                       
CONECT    6   23   24   24   26                                       
CONECT    7   24    9   25   25                                       
CONECT    8   26   26   25   39                                       
CONECT    9    7   31   31   10                                       
CONECT   10    9   11   40                                            
CONECT   11   14   14   10   12                                       
CONECT   12   11   27   27   41                                       
CONECT   13   30   30   29   27                                       
CONECT   14   31   30   11   11                                       
CONECT   15   17   17   18    1                                       
CONECT   15   16   16                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18    2   15    3                                            
CONECT   19    3   20   20                                            
CONECT   20   19   19   21   42                                       
CONECT   21    4    4   20   43                                       
CONECT   22   23    5   44   45                                       
CONECT   23   22    6   46                                            
CONECT   24    6    6    7                                            
CONECT   25    7    7    8                                            
CONECT   26    6    8    8   47                                       
CONECT   27   13   12   12   28                                       
CONECT   28   27                                                      
CONECT   29   13                                                      
CONECT   30   14   13   13   48                                       
CONECT   31    9    9   14                                            
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    2                                                      
CONECT   37    2                                                      
CONECT   38    4                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   12                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   23                                                      
CONECT   47   26                                                      
CONECT   48   30                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
