COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  O   UNL     1      -3.679   3.444   1.097  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.141   4.359   0.449  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.453   5.700   0.440  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.268   4.176  -0.267  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.848   2.905  -0.345  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.229   2.776  -0.435  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.806   1.522  -0.512  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.015   0.391  -0.501  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.046   1.775  -0.339  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.628   0.511  -0.412  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.776  -0.702  -0.400  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.365  -1.956  -0.583  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.582  -3.079  -0.572  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.469  -0.578  -0.220  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.674  -1.634  -0.202  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.203  -2.928  -0.375  1.00  0.00           C  
HETATM   17  N   UNL     1      -2.169  -3.800  -0.311  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.051  -3.143  -0.113  1.00  0.00           C  
HETATM   19  C   UNL     1       0.285  -3.758   0.010  1.00  0.00           C  
HETATM   20  C   UNL     1       0.489  -4.862   0.854  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.572  -5.380   1.579  1.00  0.00           N  
HETATM   22  N   UNL     1       1.689  -5.410   0.960  1.00  0.00           N  
HETATM   23  C   UNL     1       2.726  -4.948   0.288  1.00  0.00           C  
HETATM   24  C   UNL     1       2.603  -3.865  -0.562  1.00  0.00           C  
HETATM   25  C   UNL     1       1.369  -3.255  -0.716  1.00  0.00           C  
HETATM   26  N   UNL     1      -1.312  -1.798  -0.038  1.00  0.00           N  
HETATM   27  C   UNL     1      -0.371  -0.779   0.165  1.00  0.00           C  
HETATM   28  C   UNL     1       0.310  -0.693   1.372  1.00  0.00           C  
HETATM   29  C   UNL     1       1.237   0.312   1.569  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.115   0.142  -0.842  1.00  0.00           C  
HETATM   31  C   UNL     1       0.814   1.144  -0.638  1.00  0.00           C  
HETATM   32  C   UNL     1       1.487   1.231   0.567  1.00  0.00           C  
HETATM   33  C   UNL     1       2.499   2.326   0.785  1.00  0.00           C  
HETATM   34  N   UNL     1       3.820   1.864   0.354  1.00  0.00           N  
HETATM   35  C   UNL     1       4.887   2.681   0.457  1.00  0.00           C  
HETATM   36  O   UNL     1       4.753   3.802   0.908  1.00  0.00           O  
HETATM   37  C   UNL     1       6.220   2.214   0.022  1.00  0.00           C  
HETATM   38  C   UNL     1       6.377   0.929  -0.501  1.00  0.00           C  
HETATM   39  C   UNL     1       7.327   3.058   0.127  1.00  0.00           C  
HETATM   40  C   UNL     1       8.569   2.617  -0.280  1.00  0.00           C  
HETATM   41  C   UNL     1       8.721   1.342  -0.793  1.00  0.00           C  
HETATM   42  C   UNL     1       7.626   0.500  -0.906  1.00  0.00           C  
HETATM   43  F   UNL     1       7.780  -0.743  -1.412  1.00  0.00           F  
HETATM   44  H   UNL     1      -2.728   5.731  -0.373  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.193   6.488   0.298  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.939   5.851   1.390  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.676   4.925  -0.729  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.853   3.657  -0.444  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.880   1.427  -0.581  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.469  -0.587  -0.558  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.972   1.873  -0.274  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.431  -2.039  -0.732  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.016  -4.057  -0.711  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.431  -4.931   1.569  1.00  0.00           H  
HETATM   55  H   UNL     1      -0.454  -6.192   2.098  1.00  0.00           H  
HETATM   56  H   UNL     1       3.689  -5.422   0.407  1.00  0.00           H  
HETATM   57  H   UNL     1       3.462  -3.499  -1.105  1.00  0.00           H  
HETATM   58  H   UNL     1       1.249  -2.408  -1.375  1.00  0.00           H  
HETATM   59  H   UNL     1       0.116  -1.410   2.155  1.00  0.00           H  
HETATM   60  H   UNL     1       1.767   0.380   2.508  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.640   0.074  -1.783  1.00  0.00           H  
HETATM   62  H   UNL     1       1.014   1.861  -1.421  1.00  0.00           H  
HETATM   63  H   UNL     1       2.214   3.205   0.206  1.00  0.00           H  
HETATM   64  H   UNL     1       2.532   2.584   1.844  1.00  0.00           H  
HETATM   65  H   UNL     1       3.927   0.969  -0.005  1.00  0.00           H  
HETATM   66  H   UNL     1       5.524   0.273  -0.589  1.00  0.00           H  
HETATM   67  H   UNL     1       7.211   4.055   0.527  1.00  0.00           H  
HETATM   68  H   UNL     1       9.426   3.270  -0.199  1.00  0.00           H  
HETATM   69  H   UNL     1       9.696   1.002  -1.110  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   44   45   46                                       
CONECT    4    5    2   47                                            
CONECT    5    9    9    6    4                                       
CONECT    6    7    7    5   48                                       
CONECT    7    8    6    6   49                                       
CONECT    8   10   10    7   50                                       
CONECT    9   10    5    5   51                                       
CONECT   10   11    8    8    9                                       
CONECT   11   14   14   12   10                                       
CONECT   12   13   13   11   52                                       
CONECT   13   16   12   12   53                                       
CONECT   14   15   11   11                                            
CONECT   15   26   16   16   14                                       
CONECT   16   17   15   15   13                                       
CONECT   17   18   18   16                                            
CONECT   18   19   17   17   26                                       
CONECT   19   25   25   20   18                                       
CONECT   20   22   22   19   21                                       
CONECT   21   20   54   55                                            
CONECT   22   23   20   20                                            
CONECT   23   24   24   22   56                                       
CONECT   24   23   23   25   57                                       
CONECT   25   24   19   19   58                                       
CONECT   26   18   27   15                                            
CONECT   27   28   26   30   30                                       
CONECT   28   29   29   27   59                                       
CONECT   29   28   28   32   60                                       
CONECT   30   27   27   31   61                                       
CONECT   31   32   32   30   62                                       
CONECT   32   29   33   31   31                                       
CONECT   33   32   34   63   64                                       
CONECT   34   33   35   65                                            
CONECT   35   36   36   34   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   39   39   38                                       
CONECT   38   37   42   42   66                                       
CONECT   39   37   37   40   67                                       
CONECT   40   39   41   41   68                                       
CONECT   41   40   40   42   69                                       
CONECT   42   38   38   41   43                                       
CONECT   43   42                                                      
CONECT   44    3                                                      
CONECT   45    3                                                      
CONECT   46    3                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52   12                                                      
CONECT   53   13                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   25                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   31                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   34                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
CONECT   69   41                                                      
MASTER        0    0    0    0    0    0    0    0   69    0   69    0
END
