COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.250  -0.705   0.833  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.423  -2.459  -0.850  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.844  -3.776  -1.324  1.00  0.00           C  
HETATM    4  C   UNL     1       3.077   0.840   0.187  1.00  0.00           C  
HETATM    5  C   UNL     1       3.774   1.996  -0.144  1.00  0.00           C  
HETATM    6  C   UNL     1       7.326   0.793   0.079  1.00  0.00           C  
HETATM    7  C   UNL     1       9.474   0.085  -0.940  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.043  -0.583   0.798  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.661  -0.471   1.467  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.615  -1.042   2.886  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.258  -0.887   3.433  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.554  -1.322  -0.168  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.083  -1.330  -0.336  1.00  0.00           C  
HETATM   14  C   UNL     1       0.978  -2.420  -0.992  1.00  0.00           C  
HETATM   15  C   UNL     1       0.268  -4.426  -1.704  1.00  0.00           C  
HETATM   16  C   UNL     1       0.966  -0.275  -0.143  1.00  0.00           C  
HETATM   17  C   UNL     1       5.154   1.985  -0.179  1.00  0.00           C  
HETATM   18  C   UNL     1       5.850   0.809   0.117  1.00  0.00           C  
HETATM   19  C   UNL     1       8.011   0.442  -1.212  1.00  0.00           C  
HETATM   20  C   UNL     1      11.528   1.018  -0.050  1.00  0.00           C  
HETATM   21  C   UNL     1       9.489   1.098   1.250  1.00  0.00           C  
HETATM   22  C   UNL     1       7.989   1.091   1.176  1.00  0.00           C  
HETATM   23  C   UNL     1       5.144  -0.351   0.449  1.00  0.00           C  
HETATM   24  C   UNL     1       3.765  -0.330   0.488  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.493  -1.951  -1.012  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.872   1.053   1.418  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.847   2.499  -0.351  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.460   3.358  -1.459  1.00  0.00           C  
HETATM   29  F   UNL     1       5.831   3.109  -0.501  1.00  0.00           F  
HETATM   30  F   UNL     1       5.812  -1.489   0.742  1.00  0.00           F  
HETATM   31  N   UNL     1      -6.804   0.788   0.305  1.00  0.00           N  
HETATM   32  N   UNL     1      -3.210  -0.767   3.856  1.00  0.00           N  
HETATM   33  N   UNL     1      -4.559  -0.944   0.625  1.00  0.00           N  
HETATM   34  N   UNL     1       1.365  -3.625  -1.511  1.00  0.00           N  
HETATM   35  N   UNL     1       1.624  -1.315  -0.627  1.00  0.00           N  
HETATM   36  N   UNL     1       1.681   0.855   0.222  1.00  0.00           N  
HETATM   37  N   UNL     1      10.064   1.138  -0.098  1.00  0.00           N  
HETATM   38  N   UNL     1      -0.353  -0.268  -0.003  1.00  0.00           N  
HETATM   39  N   UNL     1      -4.686  -1.718  -0.534  1.00  0.00           N  
HETATM   40  O   UNL     1      -7.705   0.697  -1.953  1.00  0.00           O  
HETATM   41  O   UNL     1      -6.329   2.619  -1.225  1.00  0.00           O  
HETATM   42  S   UNL     1      -7.360   1.672  -0.980  1.00  0.00           S  
HETATM   43  H   UNL     1      -2.827  -0.133   1.646  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.855  -4.155  -1.360  1.00  0.00           H  
HETATM   45  H   UNL     1       3.236   2.903  -0.373  1.00  0.00           H  
HETATM   46  H   UNL     1       9.527  -0.872  -0.420  1.00  0.00           H  
HETATM   47  H   UNL     1      10.017   0.019  -1.883  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.089  -1.332   0.007  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.869  -0.660   1.505  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.325  -0.505   3.516  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.879  -2.099   2.861  1.00  0.00           H  
HETATM   52  H   UNL     1       0.295  -5.430  -2.103  1.00  0.00           H  
HETATM   53  H   UNL     1       7.508  -0.411  -1.669  1.00  0.00           H  
HETATM   54  H   UNL     1       7.965   1.294  -1.890  1.00  0.00           H  
HETATM   55  H   UNL     1      11.798   0.041   0.352  1.00  0.00           H  
HETATM   56  H   UNL     1      11.934   1.121  -1.056  1.00  0.00           H  
HETATM   57  H   UNL     1      11.936   1.800   0.589  1.00  0.00           H  
HETATM   58  H   UNL     1       9.819   1.974   1.809  1.00  0.00           H  
HETATM   59  H   UNL     1       9.829   0.197   1.761  1.00  0.00           H  
HETATM   60  H   UNL     1       7.428   1.343   2.064  1.00  0.00           H  
HETATM   61  H   UNL     1       3.219  -1.226   0.745  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.266  -2.525  -1.898  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.353   1.459   2.308  1.00  0.00           H  
HETATM   64  H   UNL     1      -4.982   1.610   1.124  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.580   3.133   0.495  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.571   1.750  -0.029  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.736   4.107  -1.780  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.727   2.724  -2.304  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.354   3.855  -1.081  1.00  0.00           H  
HETATM   70  H   UNL     1       2.280  -3.876  -1.712  1.00  0.00           H  
HETATM   71  H   UNL     1       1.212   1.656   0.503  1.00  0.00           H  
CONECT    1   33   12   12   43                                       
CONECT    2   13    3   14   14                                       
CONECT    3    2   15   15   44                                       
CONECT    4   24   36    5    5                                       
CONECT    5    4    4   17   45                                       
CONECT    6   22   22   18   19                                       
CONECT    7   37   19   46   47                                       
CONECT    8   31    9   48   49                                       
CONECT    9    8   26   33   10                                       
CONECT   10    9   11   50   51                                       
CONECT   11   10   32   32   32                                       
CONECT   12   25    1    1   13                                       
CONECT   13   12   38   38    2                                       
CONECT   14    2    2   34   35                                       
CONECT   15    3    3   34   52                                       
CONECT   16   38   36   35   35                                       
CONECT   17   18   18    5   29                                       
CONECT   18   23    6   17   17                                       
CONECT   19    6    7   53   54                                       
CONECT   20   37   55   56   57                                       
CONECT   21   22   37   58   59                                       
CONECT   22   21    6    6   60                                       
CONECT   23   30   24   24   18                                       
CONECT   24   23   23    4   61                                       
CONECT   25   39   39   12   62                                       
CONECT   26   31    9   63   64                                       
CONECT   27   42   28   65   66                                       
CONECT   28   27   67   68   69                                       
CONECT   29   17                                                      
CONECT   30   23                                                      
CONECT   31   42    8   26                                            
CONECT   32   11   11   11                                            
CONECT   33   39    9    1                                            
CONECT   34   15   14   70                                            
CONECT   35   16   16   14                                            
CONECT   36   16    4   71                                            
CONECT   37   21   20    7                                            
CONECT   38   13   13   16                                            
CONECT   39   25   25   33                                            
CONECT   40   42   42                                                 
CONECT   41   42   42                                                 
CONECT   42   41   41   40   40                                       
CONECT   42   27   31                                                 
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    8                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   15                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   22                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   28                                                      
CONECT   70   34                                                      
CONECT   71   36                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
