COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.571   0.243   0.856  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.852  -0.026   0.441  1.00  0.00           N  
HETATM    3  O   UNL     1      -5.774   0.381   1.021  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.663   1.249   1.250  1.00  0.00           C  
HETATM    5  O   UNL     1      -4.842  -1.994  -0.134  1.00  0.00           O  
HETATM    6  O   UNL     1      -2.691  -3.051  -1.191  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.676  -1.065   0.074  1.00  0.00           C  
HETATM    8  O   UNL     1       1.954  -2.860   0.091  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.025  -0.980   0.246  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.056  -2.281  -0.496  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.009  -1.479   0.519  1.00  0.00           C  
HETATM   12  C   UNL     1       2.515   0.533  -0.268  1.00  0.00           C  
HETATM   13  C   UNL     1       2.208   0.870  -1.704  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.126   2.304  -1.129  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.081   2.213   0.229  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.580   3.464  -1.752  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.943   4.547  -0.972  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.850   4.470   0.406  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.418   3.305   1.014  1.00  0.00           C  
HETATM   20  C   UNL     1       2.206   0.103   2.064  1.00  0.00           C  
HETATM   21  C   UNL     1       3.524  -0.245   2.229  1.00  0.00           C  
HETATM   22  C   UNL     1       4.370  -0.199   1.133  1.00  0.00           C  
HETATM   23  C   UNL     1       3.866   0.180  -0.089  1.00  0.00           C  
HETATM   24  F   UNL     1       5.675  -0.521   1.264  1.00  0.00           F  
HETATM   25  C   UNL     1       1.695   0.507   0.824  1.00  0.00           C  
HETATM   26  F   UNL     1       4.695   0.213  -1.155  1.00  0.00           F  
HETATM   27  S   UNL     1       0.455   0.953  -2.097  1.00  0.00           S  
HETATM   28  C   UNL     1       0.263   0.906   0.854  1.00  0.00           C  
HETATM   29  N   UNL     1      -0.514  -0.140   0.175  1.00  0.00           N  
HETATM   30  C   UNL     1       1.488  -1.524   0.249  1.00  0.00           C  
HETATM   31  C   UNL     1       1.331  -3.557  -0.982  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.143  -3.762  -0.634  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.744  -2.501  -0.206  1.00  0.00           N  
HETATM   34  C   UNL     1      -2.338   1.079   1.033  1.00  0.00           C  
HETATM   35  H   UNL     1      -4.024   2.150   1.723  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.173  -1.646   1.584  1.00  0.00           H  
HETATM   37  H   UNL     1       2.659   1.834  -1.936  1.00  0.00           H  
HETATM   38  H   UNL     1       2.668   0.115  -2.341  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.649   3.516  -2.829  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.299   5.453  -1.439  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.115   5.325   1.010  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.344   3.246   2.090  1.00  0.00           H  
HETATM   43  H   UNL     1       1.544   0.064   2.916  1.00  0.00           H  
HETATM   44  H   UNL     1       3.895  -0.550   3.196  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.057   0.936   1.895  1.00  0.00           H  
HETATM   46  H   UNL     1       2.014  -1.061   1.084  1.00  0.00           H  
HETATM   47  H   UNL     1       1.703  -0.962  -0.660  1.00  0.00           H  
HETATM   48  H   UNL     1       1.409  -2.968  -1.897  1.00  0.00           H  
HETATM   49  H   UNL     1       1.816  -4.522  -1.124  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.671  -4.138  -1.510  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.225  -4.490   0.173  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.652   1.855   1.340  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.779  -1.827   0.034  1.00  0.00           H  
CONECT    1    9    3    3    4                                       
CONECT    2    7   29   34                                            
CONECT    3    1    1                                                 
CONECT    4    1   34   34   35                                       
CONECT    5    9   53                                                 
CONECT    6   10   10                                                 
CONECT    7   10    9    9    2                                       
CONECT    8   31   30                                                 
CONECT    9    5    7    7    1                                       
CONECT   10    6    6   33    7                                       
CONECT   11   30   33   29   36                                       
CONECT   12   25   25   23   13                                       
CONECT   13   12   27   37   38                                       
CONECT   14   15   27   16   16                                       
CONECT   15   28   19   19   14                                       
CONECT   16   14   14   17   39                                       
CONECT   17   18   18   16   40                                       
CONECT   18   19   17   17   41                                       
CONECT   19   15   15   18   42                                       
CONECT   20   21   21   25   43                                       
CONECT   21   20   20   22   44                                       
CONECT   22   21   24   23   23                                       
CONECT   23   22   22   12   26                                       
CONECT   24   22                                                      
CONECT   25   28   20   12   12                                       
CONECT   26   23                                                      
CONECT   27   13   14                                                 
CONECT   28   29   25   15   45                                       
CONECT   29   11    2   28                                            
CONECT   30    8   11   46   47                                       
CONECT   31    8   32   48   49                                       
CONECT   32   31   33   50   51                                       
CONECT   33   32   10   11                                            
CONECT   34    2    4    4   52                                       
CONECT   35    4                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   28                                                      
CONECT   46   30                                                      
CONECT   47   30                                                      
CONECT   48   31                                                      
CONECT   49   31                                                      
CONECT   50   32                                                      
CONECT   51   32                                                      
CONECT   52   34                                                      
CONECT   53    5                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
