COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.556   1.425   0.108  1.00  0.00           N  
HETATM    2  C   UNL     1      -1.809   1.144   0.486  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.342  -0.141   0.676  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.519  -1.264   0.550  1.00  0.00           C  
HETATM    5  C   UNL     1       2.632  -2.133   0.782  1.00  0.00           C  
HETATM    6  C   UNL     1       0.789   3.418  -0.338  1.00  0.00           C  
HETATM    7  C   UNL     1       4.032   2.184  -1.237  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.629   3.363   0.378  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.507   2.367   0.662  1.00  0.00           C  
HETATM   10  C   UNL     1      -6.288   2.587   0.275  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.950  -2.585   0.392  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.380  -3.054   0.326  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.808  -4.879   0.129  1.00  0.00           C  
HETATM   14  C   UNL     1       3.561   4.695  -0.883  1.00  0.00           C  
HETATM   15  C   UNL     1       4.688  -1.243   1.218  1.00  0.00           C  
HETATM   16  C   UNL     1       4.083  -2.358   0.666  1.00  0.00           C  
HETATM   17  C   UNL     1       1.641  -2.975   0.367  1.00  0.00           C  
HETATM   18  C   UNL     1       0.293  -2.554   0.407  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.140  -1.263   0.554  1.00  0.00           N  
HETATM   20  C   UNL     1      -0.402   2.744   0.030  1.00  0.00           C  
HETATM   21  C   UNL     1       1.914   2.695  -0.676  1.00  0.00           C  
HETATM   22  N   UNL     1       1.973   1.314  -0.819  1.00  0.00           N  
HETATM   23  C   UNL     1       3.228   0.958  -1.154  1.00  0.00           C  
HETATM   24  O   UNL     1       3.625  -0.176  -1.354  1.00  0.00           O  
HETATM   25  C   UNL     1       3.186   3.236  -0.932  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.906   4.843   0.423  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.944   2.529   1.083  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.850   2.425  -0.146  1.00  0.00           C  
HETATM   29  O   UNL     1      -7.266   2.531  -0.642  1.00  0.00           O  
HETATM   30  O   UNL     1      -6.561   2.767   1.439  1.00  0.00           O  
HETATM   31  C   UNL     1      -3.854  -3.044  -1.129  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.285  -3.513  -1.194  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.866  -3.823  -0.181  1.00  0.00           O  
HETATM   34  O   UNL     1      -5.914  -3.585  -2.378  1.00  0.00           O  
HETATM   35  C   UNL     1      -0.825  -3.382   0.306  1.00  0.00           C  
HETATM   36  N   UNL     1       2.467  -0.902   1.400  1.00  0.00           N  
HETATM   37  C   UNL     1       3.675  -0.372   1.657  1.00  0.00           C  
HETATM   38  O   UNL     1       3.865   0.704   2.197  1.00  0.00           O  
HETATM   39  C   UNL     1       5.463   2.276  -1.574  1.00  0.00           C  
HETATM   40  C   UNL     1       6.127   1.190  -1.959  1.00  0.00           C  
HETATM   41  C   UNL     1       4.753  -3.532   0.083  1.00  0.00           C  
HETATM   42  C   UNL     1       5.724  -3.367  -0.812  1.00  0.00           C  
HETATM   43  C   UNL     1       6.172  -1.006   1.332  1.00  0.00           C  
HETATM   44  H   UNL     1      -3.387  -0.262   0.919  1.00  0.00           H  
HETATM   45  H   UNL     1       0.815   4.497  -0.355  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.450  -4.066   0.724  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.008  -2.388   0.917  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.797  -5.119  -0.934  1.00  0.00           H  
HETATM   49  H   UNL     1       0.082  -5.291   0.605  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.698  -5.309   0.589  1.00  0.00           H  
HETATM   51  H   UNL     1       3.891   4.952   0.123  1.00  0.00           H  
HETATM   52  H   UNL     1       4.367   4.887  -1.591  1.00  0.00           H  
HETATM   53  H   UNL     1       2.694   5.302  -1.147  1.00  0.00           H  
HETATM   54  H   UNL     1       1.888  -3.963   0.007  1.00  0.00           H  
HETATM   55  H   UNL     1       0.427  -0.482   0.645  1.00  0.00           H  
HETATM   56  H   UNL     1       1.230   0.703  -0.697  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.006   5.390   0.143  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.709   5.083  -0.274  1.00  0.00           H  
HETATM   59  H   UNL     1      -2.205   5.126   1.433  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.205   1.745   1.794  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.078   3.504   1.551  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.717   1.449  -0.614  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.589   3.208  -0.857  1.00  0.00           H  
HETATM   64  H   UNL     1      -8.173   2.641  -0.324  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.785  -2.031  -1.526  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.226  -3.710  -1.720  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.831  -3.891  -2.370  1.00  0.00           H  
HETATM   68  H   UNL     1       1.616  -0.489   1.612  1.00  0.00           H  
HETATM   69  H   UNL     1       5.973   3.226  -1.509  1.00  0.00           H  
HETATM   70  H   UNL     1       5.598   0.261  -2.114  1.00  0.00           H  
HETATM   71  H   UNL     1       7.194   1.236  -2.115  1.00  0.00           H  
HETATM   72  H   UNL     1       4.457  -4.527   0.381  1.00  0.00           H  
HETATM   73  H   UNL     1       6.069  -2.374  -1.058  1.00  0.00           H  
HETATM   74  H   UNL     1       6.167  -4.227  -1.293  1.00  0.00           H  
HETATM   75  H   UNL     1       6.514  -0.424   0.477  1.00  0.00           H  
HETATM   76  H   UNL     1       6.383  -0.459   2.251  1.00  0.00           H  
HETATM   77  H   UNL     1       6.692  -1.964   1.352  1.00  0.00           H  
CONECT    1   20   20    2                                            
CONECT    2    9    1    3    3                                       
CONECT    3    2    2    4   44                                       
CONECT    4    3   19   11   11                                       
CONECT    5   36   17   17   16                                       
CONECT    6   20   21   21   45                                       
CONECT    7   25   25   39   23                                       
CONECT    8   26   20    9    9                                       
CONECT    9    8    8   27    2                                       
CONECT   10   30   30   28   29                                       
CONECT   11    4    4   12   35                                       
CONECT   12   11   31   46   47                                       
CONECT   13   35   48   49   50                                       
CONECT   14   25   51   52   53                                       
CONECT   15   37   43   16   16                                       
CONECT   16   15   15    5   41                                       
CONECT   17    5    5   18   54                                       
CONECT   18   19   17   35   35                                       
CONECT   19    4   18   55                                            
CONECT   20    8    6    1    1                                       
CONECT   21    6    6   25   22                                       
CONECT   22   21   23   56                                            
CONECT   23   22    7   24   24                                       
CONECT   24   23   23                                                 
CONECT   25   14   21    7    7                                       
CONECT   26    8   57   58   59                                       
CONECT   27    9   28   60   61                                       
CONECT   28   27   10   62   63                                       
CONECT   29   10   64                                                 
CONECT   30   10   10                                                 
CONECT   31   32   12   65   66                                       
CONECT   32   33   33   34   31                                       
CONECT   33   32   32                                                 
CONECT   34   32   67                                                 
CONECT   35   11   18   18   13                                       
CONECT   36   37    5   68                                            
CONECT   37   38   38   36   15                                       
CONECT   38   37   37                                                 
CONECT   39    7   40   40   69                                       
CONECT   40   39   39   70   71                                       
CONECT   41   16   42   42   72                                       
CONECT   42   41   41   73   74                                       
CONECT   43   15   75   76   77                                       
CONECT   44    3                                                      
CONECT   45    6                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   14                                                      
CONECT   53   14                                                      
CONECT   54   17                                                      
CONECT   55   19                                                      
CONECT   56   22                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   26                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   28                                                      
CONECT   63   28                                                      
CONECT   64   29                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   34                                                      
CONECT   68   36                                                      
CONECT   69   39                                                      
CONECT   70   40                                                      
CONECT   71   40                                                      
CONECT   72   41                                                      
CONECT   73   42                                                      
CONECT   74   42                                                      
CONECT   75   43                                                      
CONECT   76   43                                                      
CONECT   77   43                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
