COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -1.501   2.152  -0.984  1.00  0.00           C  
HETATM    2  N   UNL     1      -2.780   3.240   0.623  1.00  0.00           N  
HETATM    3  O   UNL     1      -2.826  -0.164  -0.149  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.217   3.671  -1.083  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.531   2.013   0.058  1.00  0.00           N  
HETATM    6  O   UNL     1      -0.211   0.816   0.472  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.490   4.260  -0.415  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.842  -0.114   2.499  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.186   3.311   1.044  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.455   2.205   2.064  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.227   0.832   1.443  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.149   0.868   0.400  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.251   1.411  -0.584  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.530   0.355   0.797  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.351  -1.052   0.287  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.897  -1.269  -1.000  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.733  -2.559  -1.467  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.023  -3.634  -0.647  1.00  0.00           C  
HETATM   19  C   UNL     1      -5.477  -3.417   0.641  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.636  -2.127   1.109  1.00  0.00           C  
HETATM   21  C   UNL     1       3.245   1.310  -1.715  1.00  0.00           C  
HETATM   22  N   UNL     1       0.822   1.410  -1.400  1.00  0.00           N  
HETATM   23  O   UNL     1       3.125   1.116  -3.126  1.00  0.00           O  
HETATM   24  C   UNL     1       2.037   0.689  -1.011  1.00  0.00           C  
HETATM   25  C   UNL     1       1.910  -0.781  -1.417  1.00  0.00           C  
HETATM   26  C   UNL     1       0.652  -2.904  -1.024  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.478  -3.557  -0.227  1.00  0.00           C  
HETATM   28  C   UNL     1       0.779  -1.434  -0.619  1.00  0.00           C  
HETATM   29  C   UNL     1       4.507   0.650  -1.223  1.00  0.00           C  
HETATM   30  O   UNL     1       5.186  -0.006  -1.985  1.00  0.00           O  
HETATM   31  N   UNL     1      -0.600  -4.968  -0.616  1.00  0.00           N  
HETATM   32  C   UNL     1       6.109   0.147   0.544  1.00  0.00           C  
HETATM   33  C   UNL     1       5.806  -1.299   0.940  1.00  0.00           C  
HETATM   34  C   UNL     1       7.088  -1.969   1.440  1.00  0.00           C  
HETATM   35  C   UNL     1       7.620  -1.208   2.656  1.00  0.00           C  
HETATM   36  C   UNL     1       7.922   0.239   2.259  1.00  0.00           C  
HETATM   37  C   UNL     1       6.641   0.908   1.759  1.00  0.00           C  
HETATM   38  N   UNL     1       4.881   0.789   0.065  1.00  0.00           N  
HETATM   39  H   UNL     1      -1.874   1.775  -1.936  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.321   3.939  -0.524  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.138   3.988  -2.123  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.309   4.333  -1.131  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.281   5.229   0.038  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.684  -1.035   2.119  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.030   0.215   3.000  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.382   4.282   1.498  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.834   3.174   0.178  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.784   2.330   2.914  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.487   2.277   2.408  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.331   0.375   1.536  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.785   1.012  -0.034  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.670  -0.430  -1.641  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.379  -2.729  -2.474  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.895  -4.642  -1.012  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.703  -4.256   1.281  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.986  -1.957   2.117  1.00  0.00           H  
HETATM   57  H   UNL     1       0.789   1.885  -2.245  1.00  0.00           H  
HETATM   58  H   UNL     1       3.085   0.188  -3.394  1.00  0.00           H  
HETATM   59  H   UNL     1       2.170   0.758   0.068  1.00  0.00           H  
HETATM   60  H   UNL     1       1.688  -0.846  -2.482  1.00  0.00           H  
HETATM   61  H   UNL     1       1.589  -3.420  -0.816  1.00  0.00           H  
HETATM   62  H   UNL     1       0.430  -2.969  -2.089  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.256  -3.492   0.838  1.00  0.00           H  
HETATM   64  H   UNL     1       1.001  -1.369   0.446  1.00  0.00           H  
HETATM   65  H   UNL     1       0.275  -5.454  -0.493  1.00  0.00           H  
HETATM   66  H   UNL     1       3.284   2.377  -1.497  1.00  0.00           H  
HETATM   67  H   UNL     1       2.847  -1.297  -1.208  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.415  -3.040  -0.435  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.158  -0.917  -0.827  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.341  -5.422  -0.103  1.00  0.00           H  
HETATM   71  H   UNL     1       5.058  -1.310   1.732  1.00  0.00           H  
HETATM   72  H   UNL     1       7.837  -1.959   0.648  1.00  0.00           H  
HETATM   73  H   UNL     1       8.533  -1.685   3.012  1.00  0.00           H  
HETATM   74  H   UNL     1       8.671   0.249   1.467  1.00  0.00           H  
HETATM   75  H   UNL     1       6.856   1.939   1.477  1.00  0.00           H  
HETATM   76  H   UNL     1       4.339   1.313   0.674  1.00  0.00           H  
HETATM   77  H   UNL     1       6.857   0.158  -0.249  1.00  0.00           H  
HETATM   78  H   UNL     1       5.892   0.898   2.551  1.00  0.00           H  
HETATM   79  H   UNL     1       8.302   0.781   3.125  1.00  0.00           H  
HETATM   80  H   UNL     1       6.872  -1.219   3.448  1.00  0.00           H  
HETATM   81  H   UNL     1       6.873  -3.000   1.723  1.00  0.00           H  
HETATM   82  H   UNL     1       5.427  -1.842   0.074  1.00  0.00           H  
CONECT    1    5   39    4   13                                       
CONECT    2    5    9    7                                            
CONECT    3   12   12                                                 
CONECT    4    1    7   40   41                                       
CONECT    5    1    2   12                                            
CONECT    6   13   13                                                 
CONECT    7    4    2   42   43                                       
CONECT    8   44   45   11                                            
CONECT    9    2   10   46   47                                       
CONECT   10    9   11   48   49                                       
CONECT   11   10    8   14   12                                       
CONECT   12    5    3    3   11                                       
CONECT   13    6    6   22    1                                       
CONECT   14   11   15   50   51                                       
CONECT   15   14   20   20   16                                       
CONECT   16   15   17   17   52                                       
CONECT   17   16   16   18   53                                       
CONECT   18   17   54   19   19                                       
CONECT   19   18   18   55   20                                       
CONECT   20   15   15   19   56                                       
CONECT   21   24   66   23   29                                       
CONECT   22   57   13   24                                            
CONECT   23   21   58                                                 
CONECT   24   21   22   25   59                                       
CONECT   25   24   28   60   67                                       
CONECT   26   27   61   62   28                                       
CONECT   27   26   31   63   68                                       
CONECT   28   25   26   64   69                                       
CONECT   29   21   30   30   38                                       
CONECT   30   29   29                                                 
CONECT   31   27   65   70                                            
CONECT   32   38   77   37   33                                       
CONECT   33   34   32   71   82                                       
CONECT   34   35   33   72   81                                       
CONECT   35   36   34   73   80                                       
CONECT   36   37   74   79   35                                       
CONECT   37   32   75   78   36                                       
CONECT   38   29   76   32                                            
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    4                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   20                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   31                                                      
CONECT   66   21                                                      
CONECT   67   25                                                      
CONECT   68   27                                                      
CONECT   69   28                                                      
CONECT   70   31                                                      
CONECT   71   33                                                      
CONECT   72   34                                                      
CONECT   73   35                                                      
CONECT   74   36                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   32                                                      
CONECT   78   37                                                      
CONECT   79   36                                                      
CONECT   80   35                                                      
CONECT   81   34                                                      
CONECT   82   33                                                      
MASTER        0    0    0    0    0    0    0    0   82    0   82    0
END
