COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.763   0.527  -1.051  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.032   0.915  -0.683  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.613   1.551   1.024  1.00  0.00           N  
HETATM    4  O   UNL     1      -6.688   1.261  -1.140  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.823  -0.852   0.484  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.892  -1.655  -0.282  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.339   1.009   1.625  1.00  0.00           C  
HETATM    8  CA  UNL     1       0.483   0.675  -1.261  1.00  0.00           C  
HETATM    9  C   UNL     1       0.230   1.989  -1.853  1.00  0.00           C  
HETATM   10  C   UNL     1       5.393  -0.243  -0.973  1.00  0.00           C  
HETATM   11  C   UNL     1       7.443   1.833   0.914  1.00  0.00           C  
HETATM   12  C   UNL     1       8.235   3.037   0.403  1.00  0.00           C  
HETATM   13  C   UNL     1       5.969   1.831   0.468  1.00  0.00           C  
HETATM   14  C   UNL     1       4.914  -1.476   0.898  1.00  0.00           C  
HETATM   15  C   UNL     1       4.372  -3.701  -1.167  1.00  0.00           C  
HETATM   16  C   UNL     1       3.780  -2.291  -1.172  1.00  0.00           C  
HETATM   17  C   UNL     1       2.414  -2.316  -0.536  1.00  0.00           C  
HETATM   18  C   UNL     1       2.027  -3.399   0.221  1.00  0.00           C  
HETATM   19  C   UNL     1       0.771  -3.436   0.814  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.101  -2.397   0.655  1.00  0.00           C  
HETATM   21  C   UNL     1       0.271  -1.288  -0.109  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.407  -0.038  -0.475  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.770   0.377  -0.081  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.326   1.158   0.654  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.802  -1.555  -0.431  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.066   0.621   1.262  1.00  0.00           C  
HETATM   27  C   UNL     1       1.541  -1.245  -0.712  1.00  0.00           C  
HETATM   28  C   UNL     1       6.129   0.328   0.243  1.00  0.00           C  
HETATM   29  C   UNL     1       7.627   0.566   0.058  1.00  0.00           C  
HETATM   30  F   UNL     1      -3.628   1.246   2.924  1.00  0.00           F  
HETATM   31  N   UNL     1       1.646  -0.058  -1.400  1.00  0.00           N  
HETATM   32  N   UNL     1       4.655  -1.391  -0.416  1.00  0.00           N  
HETATM   33  N   UNL     1       9.587   3.013   0.976  1.00  0.00           N  
HETATM   34  O   UNL     1      -8.044   1.480   0.919  1.00  0.00           O  
HETATM   35  O   UNL     1      -6.818  -2.563  -0.601  1.00  0.00           O  
HETATM   36  O   UNL     1      -0.837   2.544  -1.670  1.00  0.00           O  
HETATM   37  OXT UNL     1       1.180   2.585  -2.604  1.00  0.00           O  
HETATM   38  O   UNL     1       5.749  -0.528   1.347  1.00  0.00           O  
HETATM   39  O   UNL     1       4.436  -2.333   1.614  1.00  0.00           O  
HETATM   40  S   UNL     1      -6.928   0.940   0.224  1.00  0.00           S  
HETATM   41  H   UNL     1      -2.537   0.335  -2.090  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.800   1.031  -1.433  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.738   2.182   1.750  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.735  -1.127   1.535  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.660  -2.089   0.358  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.300  -1.133  -1.147  1.00  0.00           H  
HETATM   47  H   UNL     1       4.703   0.493  -1.386  1.00  0.00           H  
HETATM   48  H   UNL     1       6.102  -0.575  -1.731  1.00  0.00           H  
HETATM   49  H   UNL     1       7.575   1.662   1.982  1.00  0.00           H  
HETATM   50  H   UNL     1       8.301   2.995  -0.684  1.00  0.00           H  
HETATM   51  H   UNL     1       7.731   3.957   0.701  1.00  0.00           H  
HETATM   52  H   UNL     1       5.270   2.082   1.265  1.00  0.00           H  
HETATM   53  H   UNL     1       5.789   2.393  -0.449  1.00  0.00           H  
HETATM   54  H   UNL     1       5.360  -3.682  -1.627  1.00  0.00           H  
HETATM   55  H   UNL     1       4.457  -4.056  -0.139  1.00  0.00           H  
HETATM   56  H   UNL     1       3.722  -4.371  -1.730  1.00  0.00           H  
HETATM   57  H   UNL     1       3.696  -1.936  -2.200  1.00  0.00           H  
HETATM   58  H   UNL     1       2.705  -4.228   0.355  1.00  0.00           H  
HETATM   59  H   UNL     1       0.482  -4.292   1.405  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.076  -2.433   1.119  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.572  -1.002  -1.342  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.913  -1.908   0.091  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.300   0.506   2.014  1.00  0.00           H  
HETATM   64  H   UNL     1       7.913   0.773  -0.973  1.00  0.00           H  
HETATM   65  H   UNL     1       8.252  -0.192   0.529  1.00  0.00           H  
HETATM   66  H   UNL     1       2.422   0.223  -1.908  1.00  0.00           H  
HETATM   67  H   UNL     1      10.132   3.799   0.654  1.00  0.00           H  
HETATM   68  H   UNL     1       9.552   2.987   1.985  1.00  0.00           H  
HETATM   69  HXT UNL     1       0.922   3.449  -2.952  1.00  0.00           H  
CONECT    1    2    2   23   41                                       
CONECT    2    1    1   24   42                                       
CONECT    3   24   40   43                                            
CONECT    4   40   40                                                 
CONECT    5    6   25   40   44                                       
CONECT    6    5   35   45   46                                       
CONECT    7   24   24   26   30                                       
CONECT    8    9   22   22   31                                       
CONECT    9    8   36   36   37                                       
CONECT   10   28   32   47   48                                       
CONECT   11   12   13   29   49                                       
CONECT   12   11   33   50   51                                       
CONECT   13   11   28   52   53                                       
CONECT   14   32   38   39   39                                       
CONECT   15   16   54   55   56                                       
CONECT   16   15   17   32   57                                       
CONECT   17   16   18   18   27                                       
CONECT   18   17   17   19   58                                       
CONECT   19   18   20   20   59                                       
CONECT   20   19   19   21   60                                       
CONECT   21   20   22   27   27                                       
CONECT   22    8    8   21   23                                       
CONECT   23    1   22   26   26                                       
CONECT   24    2    3    7    7                                       
CONECT   25    5   35   61   62                                       
CONECT   26    7   23   23   63                                       
CONECT   27   17   21   21   31                                       
CONECT   28   10   13   29   38                                       
CONECT   29   11   28   64   65                                       
CONECT   30    7                                                      
CONECT   31    8   27   66                                            
CONECT   32   10   14   16                                            
CONECT   33   12   67   68                                            
CONECT   34   40   40                                                 
CONECT   35    6   25                                                 
CONECT   36    9    9                                                 
CONECT   37    9   69                                                 
CONECT   38   14   28                                                 
CONECT   39   14   14                                                 
CONECT   40    3    4    4    5                                       
CONECT   40   34   34                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   15                                                      
CONECT   56   15                                                      
CONECT   57   16                                                      
CONECT   58   18                                                      
CONECT   59   19                                                      
CONECT   60   20                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   29                                                      
CONECT   65   29                                                      
CONECT   66   31                                                      
CONECT   67   33                                                      
CONECT   68   33                                                      
CONECT   69   37                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
