COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.167   0.326  -5.406  1.00  0.00           C  
HETATM    2  O   UNL     1       0.928   1.731  -5.371  1.00  0.00           O  
HETATM    3  C   UNL     1       2.640   0.098  -5.751  1.00  0.00           C  
HETATM    4  C   UNL     1       3.518   0.818  -4.734  1.00  0.00           C  
HETATM    5  C   UNL     1       3.241   0.341  -3.306  1.00  0.00           C  
HETATM    6  C   UNL     1       1.763   0.314  -2.985  1.00  0.00           C  
HETATM    7  C   UNL     1       1.444  -0.204  -1.593  1.00  0.00           C  
HETATM    8  O   UNL     1       1.725  -1.587  -1.423  1.00  0.00           O  
HETATM    9  C   UNL     1      -0.010   0.090  -1.230  1.00  0.00           C  
HETATM   10  O   UNL     1      -0.309  -0.499   0.065  1.00  0.00           O  
HETATM   11  C   UNL     1      -0.996  -0.457  -2.265  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.274   0.100  -1.987  1.00  0.00           O  
HETATM   13  C   UNL     1      -0.583  -0.020  -3.669  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.792   1.414  -3.720  1.00  0.00           O  
HETATM   15  C   UNL     1       0.858  -0.312  -4.041  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.593  -0.644  -4.610  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.319  -1.404  -5.501  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.025  -0.211  -4.358  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.334  -0.118  -2.869  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.288   1.071  -2.708  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.946   2.088  -1.957  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.155  -1.355  -2.458  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.088  -1.974  -2.114  1.00  0.00           C  
HETATM   24  C   UNL     1       3.918   1.376  -2.373  1.00  0.00           C  
HETATM   25  C   UNL     1       3.946  -0.995  -3.080  1.00  0.00           C  
HETATM   26  C   UNL     1       1.112  -1.813  -4.188  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.093   0.203   1.189  1.00  0.00           C  
HETATM   28  O   UNL     1       0.350   1.325   1.123  1.00  0.00           O  
HETATM   29  C   UNL     1      -0.403  -0.407   2.531  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.068   0.594   3.637  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.383  -0.025   5.000  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.048   0.977   6.106  1.00  0.00           C  
HETATM   33  N   UNL     1      -0.351   0.382   7.414  1.00  0.00           N  
HETATM   34  C   UNL     1      -0.009   1.390   8.426  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.183   0.795   9.824  1.00  0.00           C  
HETATM   36  N   UNL     1       0.749  -0.323  10.004  1.00  0.00           N  
HETATM   37  C   UNL     1       0.407  -1.331   8.993  1.00  0.00           C  
HETATM   38  C   UNL     1       0.581  -0.736   7.595  1.00  0.00           C  
HETATM   39  C   UNL     1       0.447  -0.918  11.312  1.00  0.00           C  
HETATM   40  H   UNL     1       0.538  -0.134  -6.167  1.00  0.00           H  
HETATM   41  H   UNL     1       1.140   2.073  -6.250  1.00  0.00           H  
HETATM   42  H   UNL     1       2.829   0.530  -6.747  1.00  0.00           H  
HETATM   43  H   UNL     1       2.882  -0.954  -5.801  1.00  0.00           H  
HETATM   44  H   UNL     1       3.340   1.893  -4.796  1.00  0.00           H  
HETATM   45  H   UNL     1       4.571   0.629  -4.972  1.00  0.00           H  
HETATM   46  H   UNL     1       1.456   1.400  -2.958  1.00  0.00           H  
HETATM   47  H   UNL     1       2.067   0.345  -0.861  1.00  0.00           H  
HETATM   48  H   UNL     1       1.561  -1.793  -0.493  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.147   1.174  -1.157  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.715   1.572  -3.480  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.187   0.767  -4.826  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.703  -0.927  -4.832  1.00  0.00           H  
HETATM   53  H   UNL     1      -5.243   1.070  -3.213  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.618   2.926  -1.843  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.991   2.089  -1.451  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.383  -1.302  -1.393  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.083  -1.382  -3.028  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.578  -2.258  -2.661  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.549  -2.218  -1.157  1.00  0.00           H  
HETATM   60  H   UNL     1      -1.692  -2.384  -2.923  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.087  -2.405  -2.155  1.00  0.00           H  
HETATM   62  H   UNL     1       4.987   1.413  -2.587  1.00  0.00           H  
HETATM   63  H   UNL     1       3.480   2.359  -2.541  1.00  0.00           H  
HETATM   64  H   UNL     1       3.766   1.083  -1.334  1.00  0.00           H  
HETATM   65  H   UNL     1       4.980  -0.922  -3.416  1.00  0.00           H  
HETATM   66  H   UNL     1       3.926  -1.241  -2.018  1.00  0.00           H  
HETATM   67  H   UNL     1       3.435  -1.776  -3.643  1.00  0.00           H  
HETATM   68  H   UNL     1       2.095  -1.973  -4.631  1.00  0.00           H  
HETATM   69  H   UNL     1       1.073  -2.286  -3.207  1.00  0.00           H  
HETATM   70  H   UNL     1       0.348  -2.249  -4.832  1.00  0.00           H  
HETATM   71  H   UNL     1       0.192  -1.310   2.666  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.463  -0.660   2.579  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.664   1.497   3.502  1.00  0.00           H  
HETATM   74  H   UNL     1       0.990   0.848   3.589  1.00  0.00           H  
HETATM   75  H   UNL     1       0.211  -0.927   5.135  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.443  -0.278   5.048  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.644   1.880   5.971  1.00  0.00           H  
HETATM   78  H   UNL     1       1.010   1.230   6.058  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.665   2.253   8.314  1.00  0.00           H  
HETATM   80  H   UNL     1       1.026   1.702   8.291  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.206   0.437   9.941  1.00  0.00           H  
HETATM   82  H   UNL     1       0.019   1.561  10.572  1.00  0.00           H  
HETATM   83  H   UNL     1       1.063  -2.194   9.104  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.628  -1.643   9.128  1.00  0.00           H  
HETATM   85  H   UNL     1       0.378  -1.502   6.847  1.00  0.00           H  
HETATM   86  H   UNL     1       1.604  -0.378   7.478  1.00  0.00           H  
HETATM   87  H   UNL     1       1.117  -1.758  11.493  1.00  0.00           H  
HETATM   88  H   UNL     1       0.584  -0.169  12.093  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.584  -1.269  11.322  1.00  0.00           H  
CONECT    1    2    3   15   40                                       
CONECT    2    1   41                                                 
CONECT    3    1    4   42   43                                       
CONECT    4    3    5   44   45                                       
CONECT    5    4    6   24   25                                       
CONECT    6    5    7   15   46                                       
CONECT    7    6    8    9   47                                       
CONECT    8    7   48                                                 
CONECT    9    7   10   11   49                                       
CONECT   10    9   27                                                 
CONECT   11    9   12   13   23                                       
CONECT   12   11   19                                                 
CONECT   13   11   14   15   16                                       
CONECT   14   13   50                                                 
CONECT   15    1    6   13   26                                       
CONECT   16   13   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   51   52                                       
CONECT   19   12   18   20   22                                       
CONECT   20   19   21   21   53                                       
CONECT   21   20   20   54   55                                       
CONECT   22   19   56   57   58                                       
CONECT   23   11   59   60   61                                       
CONECT   24    5   62   63   64                                       
CONECT   25    5   65   66   67                                       
CONECT   26   15   68   69   70                                       
CONECT   27   10   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   71   72                                       
CONECT   30   29   31   73   74                                       
CONECT   31   30   32   75   76                                       
CONECT   32   31   33   77   78                                       
CONECT   33   32   34   38                                            
CONECT   34   33   35   79   80                                       
CONECT   35   34   36   81   82                                       
CONECT   36   35   37   39                                            
CONECT   37   36   38   83   84                                       
CONECT   38   33   37   85   86                                       
CONECT   39   36   87   88   89                                       
CONECT   40    1                                                      
CONECT   41    2                                                      
CONECT   42    3                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    4                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50   14                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   20                                                      
CONECT   54   21                                                      
CONECT   55   21                                                      
CONECT   56   22                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   26                                                      
CONECT   70   26                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   31                                                      
CONECT   77   32                                                      
CONECT   78   32                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   39                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
