COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.393   0.809  -0.695  1.00  0.00           C  
HETATM    2  C   UNL     1       1.216   1.551  -0.565  1.00  0.00           C  
HETATM    3  C   UNL     1       0.785   1.945   0.689  1.00  0.00           C  
HETATM    4  C   UNL     1       1.519   1.605   1.819  1.00  0.00           C  
HETATM    5  C   UNL     1       2.683   0.873   1.702  1.00  0.00           C  
HETATM    6  C   UNL     1       3.129   0.470   0.450  1.00  0.00           C  
HETATM    7  O   UNL     1      -0.360   2.667   0.816  1.00  0.00           O  
HETATM    8  C   UNL     1      -1.545   2.011   0.691  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.561   0.667   0.349  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.764   0.001   0.222  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.958   0.677   0.438  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.941   2.023   0.781  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.737   2.686   0.912  1.00  0.00           C  
HETATM   14  C   UNL     1       2.855   0.381  -2.027  1.00  0.00           C  
HETATM   15  O   UNL     1       2.089   0.609  -3.112  1.00  0.00           O  
HETATM   16  O   UNL     1       3.928  -0.177  -2.147  1.00  0.00           O  
HETATM   17  N   UNL     1       4.304  -0.271   0.332  1.00  0.00           N  
HETATM   18  C   UNL     1       4.282  -1.719   0.548  1.00  0.00           C  
HETATM   19  C   UNL     1       3.814  -2.016   1.974  1.00  0.00           C  
HETATM   20  C   UNL     1       3.321  -2.369  -0.450  1.00  0.00           C  
HETATM   21  C   UNL     1       5.461   0.347   0.020  1.00  0.00           C  
HETATM   22  C   UNL     1       6.704  -0.466  -0.234  1.00  0.00           C  
HETATM   23  O   UNL     1       5.501   1.556  -0.058  1.00  0.00           O  
HETATM   24  C   UNL     1       7.802   0.442  -0.791  1.00  0.00           C  
HETATM   25  C   UNL     1       9.064  -0.383  -1.048  1.00  0.00           C  
HETATM   26  C   UNL     1       9.539  -1.012   0.264  1.00  0.00           C  
HETATM   27  C   UNL     1       8.441  -1.920   0.821  1.00  0.00           C  
HETATM   28  C   UNL     1       7.179  -1.094   1.078  1.00  0.00           C  
HETATM   29  C   UNL     1      10.802  -1.837   0.006  1.00  0.00           C  
HETATM   30  N   UNL     1      -5.178   0.002   0.309  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.260   0.652  -0.163  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.156   1.795  -0.566  1.00  0.00           O  
HETATM   33  C   UNL     1      -7.572  -0.024  -0.192  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.696   0.648  -0.681  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.917   0.013  -0.707  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.034  -1.293  -0.247  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.919  -1.965   0.240  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.693  -1.339   0.264  1.00  0.00           C  
HETATM   39  O   UNL     1     -11.240  -1.915  -0.274  1.00  0.00           O  
HETATM   40  C   UNL     1     -11.289  -3.257   0.213  1.00  0.00           C  
HETATM   41  H   UNL     1       0.644   1.817  -1.442  1.00  0.00           H  
HETATM   42  H   UNL     1       1.177   1.916   2.795  1.00  0.00           H  
HETATM   43  H   UNL     1       3.248   0.614   2.585  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.633   0.141   0.182  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.776  -1.045  -0.045  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.869   2.549   0.948  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.724   3.732   1.183  1.00  0.00           H  
HETATM   48  H   UNL     1       2.434   0.309  -3.964  1.00  0.00           H  
HETATM   49  H   UNL     1       5.284  -2.124   0.403  1.00  0.00           H  
HETATM   50  H   UNL     1       2.779  -1.694   2.091  1.00  0.00           H  
HETATM   51  H   UNL     1       3.885  -3.087   2.164  1.00  0.00           H  
HETATM   52  H   UNL     1       4.444  -1.478   2.682  1.00  0.00           H  
HETATM   53  H   UNL     1       2.352  -1.873  -0.396  1.00  0.00           H  
HETATM   54  H   UNL     1       3.724  -2.272  -1.458  1.00  0.00           H  
HETATM   55  H   UNL     1       3.203  -3.425  -0.206  1.00  0.00           H  
HETATM   56  H   UNL     1       6.483  -1.253  -0.955  1.00  0.00           H  
HETATM   57  H   UNL     1       7.464   0.890  -1.725  1.00  0.00           H  
HETATM   58  H   UNL     1       8.023   1.229  -0.070  1.00  0.00           H  
HETATM   59  H   UNL     1       8.843  -1.170  -1.769  1.00  0.00           H  
HETATM   60  H   UNL     1       9.847   0.264  -1.445  1.00  0.00           H  
HETATM   61  H   UNL     1       9.760  -0.225   0.984  1.00  0.00           H  
HETATM   62  H   UNL     1       8.220  -2.707   0.100  1.00  0.00           H  
HETATM   63  H   UNL     1       8.779  -2.367   1.755  1.00  0.00           H  
HETATM   64  H   UNL     1       7.400  -0.307   1.799  1.00  0.00           H  
HETATM   65  H   UNL     1       6.396  -1.741   1.475  1.00  0.00           H  
HETATM   66  H   UNL     1      11.584  -1.190  -0.391  1.00  0.00           H  
HETATM   67  H   UNL     1      11.140  -2.285   0.941  1.00  0.00           H  
HETATM   68  H   UNL     1      10.580  -2.624  -0.715  1.00  0.00           H  
HETATM   69  H   UNL     1      -5.244  -0.932   0.559  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.606   1.663  -1.038  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.786   0.532  -1.084  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.014  -2.980   0.597  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.826  -1.863   0.638  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.623  -3.884  -0.381  1.00  0.00           H  
HETATM   75  H   UNL     1     -10.973  -3.277   1.256  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.309  -3.635   0.135  1.00  0.00           H  
CONECT    1   14    6    6    2                                       
CONECT    2    1    3    3   41                                       
CONECT    3    2    2    4    7                                       
CONECT    4    5    5    3   42                                       
CONECT    5    6    4    4   43                                       
CONECT    6   17    1    1    5                                       
CONECT    7    3    8                                                 
CONECT    8    7   13   13    9                                       
CONECT    9    8   10   10   44                                       
CONECT   10    9    9   11   45                                       
CONECT   11   12   12   10   30                                       
CONECT   12   13   11   11   46                                       
CONECT   13    8    8   12   47                                       
CONECT   14   16   16   15    1                                       
CONECT   15   14   48                                                 
CONECT   16   14   14                                                 
CONECT   17   18   21    6                                            
CONECT   18   20   19   17   49                                       
CONECT   19   18   50   51   52                                       
CONECT   20   18   53   54   55                                       
CONECT   21   23   23   17   22                                       
CONECT   22   21   28   24   56                                       
CONECT   23   21   21                                                 
CONECT   24   22   25   57   58                                       
CONECT   25   24   26   59   60                                       
CONECT   26   27   25   29   61                                       
CONECT   27   28   26   62   63                                       
CONECT   28   22   27   64   65                                       
CONECT   29   26   66   67   68                                       
CONECT   30   11   31   69                                            
CONECT   31   32   32   30   33                                       
CONECT   32   31   31                                                 
CONECT   33   31   34   34   38                                       
CONECT   34   33   33   35   70                                       
CONECT   35   34   36   36   71                                       
CONECT   36   35   35   37   39                                       
CONECT   37   38   38   36   72                                       
CONECT   38   33   37   37   73                                       
CONECT   39   36   40                                                 
CONECT   40   39   74   75   76                                       
CONECT   41    2                                                      
CONECT   42    4                                                      
CONECT   43    5                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   19                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   22                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   27                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   28                                                      
CONECT   66   29                                                      
CONECT   67   29                                                      
CONECT   68   29                                                      
CONECT   69   30                                                      
CONECT   70   34                                                      
CONECT   71   35                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
CONECT   76   40                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
