COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      19.818   6.794  -0.546  1.00  0.00           C  
HETATM    2  C   UNL     1      19.195   5.414  -0.324  1.00  0.00           C  
HETATM    3  C   UNL     1      17.673   5.518  -0.438  1.00  0.00           C  
HETATM    4  C   UNL     1      17.050   4.138  -0.215  1.00  0.00           C  
HETATM    5  C   UNL     1      15.528   4.241  -0.329  1.00  0.00           C  
HETATM    6  C   UNL     1      14.905   2.862  -0.107  1.00  0.00           C  
HETATM    7  C   UNL     1      13.382   2.965  -0.221  1.00  0.00           C  
HETATM    8  C   UNL     1      12.759   1.586   0.002  1.00  0.00           C  
HETATM    9  C   UNL     1      11.237   1.689  -0.112  1.00  0.00           C  
HETATM   10  C   UNL     1      10.614   0.310   0.110  1.00  0.00           C  
HETATM   11  C   UNL     1       9.092   0.413  -0.004  1.00  0.00           C  
HETATM   12  C   UNL     1       8.469  -0.967   0.218  1.00  0.00           C  
HETATM   13  C   UNL     1       6.947  -0.863   0.104  1.00  0.00           C  
HETATM   14  C   UNL     1       6.324  -2.243   0.327  1.00  0.00           C  
HETATM   15  C   UNL     1       4.801  -2.139   0.213  1.00  0.00           C  
HETATM   16  C   UNL     1       4.179  -3.519   0.435  1.00  0.00           C  
HETATM   17  C   UNL     1       2.656  -3.415   0.321  1.00  0.00           C  
HETATM   18  C   UNL     1       2.033  -4.795   0.544  1.00  0.00           C  
HETATM   19  O   UNL     1       2.284  -5.220   1.885  1.00  0.00           O  
HETATM   20  O   UNL     1       0.623  -4.722   0.323  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.042  -5.985   0.395  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.491  -6.243   1.834  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.475  -5.276   2.207  1.00  0.00           O  
HETATM   24  C   UNL     1      -1.264  -5.970  -0.526  1.00  0.00           C  
HETATM   25  O   UNL     1      -2.212  -5.015  -0.045  1.00  0.00           O  
HETATM   26  C   UNL     1      -3.397  -4.922  -0.837  1.00  0.00           C  
HETATM   27  O   UNL     1      -3.064  -4.426  -2.135  1.00  0.00           O  
HETATM   28  C   UNL     1      -4.387  -3.969  -0.165  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.702  -3.965  -0.947  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.692  -3.011  -0.275  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.007  -3.007  -1.056  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.997  -2.053  -0.384  1.00  0.00           C  
HETATM   33  C   UNL     1     -10.312  -2.049  -1.166  1.00  0.00           C  
HETATM   34  C   UNL     1     -11.287  -1.110  -0.504  1.00  0.00           C  
HETATM   35  C   UNL     1     -11.840  -0.145  -1.196  1.00  0.00           C  
HETATM   36  C   UNL     1     -12.815   0.794  -0.534  1.00  0.00           C  
HETATM   37  C   UNL     1     -12.349   2.237  -0.734  1.00  0.00           C  
HETATM   38  C   UNL     1     -13.339   3.191  -0.062  1.00  0.00           C  
HETATM   39  C   UNL     1     -12.872   4.634  -0.262  1.00  0.00           C  
HETATM   40  C   UNL     1     -13.862   5.588   0.410  1.00  0.00           C  
HETATM   41  C   UNL     1     -13.395   7.031   0.211  1.00  0.00           C  
HETATM   42  C   UNL     1     -14.385   7.985   0.883  1.00  0.00           C  
HETATM   43  C   UNL     1     -13.918   9.428   0.683  1.00  0.00           C  
HETATM   44  C   UNL     1     -14.908  10.382   1.355  1.00  0.00           C  
HETATM   45  H   UNL     1      19.552   7.157  -1.539  1.00  0.00           H  
HETATM   46  H   UNL     1      19.444   7.487   0.207  1.00  0.00           H  
HETATM   47  H   UNL     1      20.903   6.720  -0.465  1.00  0.00           H  
HETATM   48  H   UNL     1      19.570   4.721  -1.077  1.00  0.00           H  
HETATM   49  H   UNL     1      19.461   5.051   0.669  1.00  0.00           H  
HETATM   50  H   UNL     1      17.299   6.211   0.315  1.00  0.00           H  
HETATM   51  H   UNL     1      17.407   5.881  -1.431  1.00  0.00           H  
HETATM   52  H   UNL     1      17.424   3.444  -0.969  1.00  0.00           H  
HETATM   53  H   UNL     1      17.316   3.775   0.777  1.00  0.00           H  
HETATM   54  H   UNL     1      15.153   4.935   0.424  1.00  0.00           H  
HETATM   55  H   UNL     1      15.262   4.604  -1.322  1.00  0.00           H  
HETATM   56  H   UNL     1      15.279   2.168  -0.860  1.00  0.00           H  
HETATM   57  H   UNL     1      15.171   2.499   0.886  1.00  0.00           H  
HETATM   58  H   UNL     1      13.008   3.659   0.532  1.00  0.00           H  
HETATM   59  H   UNL     1      13.116   3.328  -1.214  1.00  0.00           H  
HETATM   60  H   UNL     1      13.134   0.892  -0.752  1.00  0.00           H  
HETATM   61  H   UNL     1      13.026   1.223   0.994  1.00  0.00           H  
HETATM   62  H   UNL     1      10.863   2.383   0.641  1.00  0.00           H  
HETATM   63  H   UNL     1      10.971   2.052  -1.105  1.00  0.00           H  
HETATM   64  H   UNL     1      10.989  -0.384  -0.643  1.00  0.00           H  
HETATM   65  H   UNL     1      10.880  -0.054   1.103  1.00  0.00           H  
HETATM   66  H   UNL     1       8.718   1.106   0.749  1.00  0.00           H  
HETATM   67  H   UNL     1       8.826   0.776  -0.997  1.00  0.00           H  
HETATM   68  H   UNL     1       8.843  -1.660  -0.535  1.00  0.00           H  
HETATM   69  H   UNL     1       8.735  -1.330   1.211  1.00  0.00           H  
HETATM   70  H   UNL     1       6.572  -0.170   0.857  1.00  0.00           H  
HETATM   71  H   UNL     1       6.681  -0.500  -0.888  1.00  0.00           H  
HETATM   72  H   UNL     1       6.698  -2.936  -0.426  1.00  0.00           H  
HETATM   73  H   UNL     1       6.590  -2.606   1.319  1.00  0.00           H  
HETATM   74  H   UNL     1       4.427  -1.446   0.966  1.00  0.00           H  
HETATM   75  H   UNL     1       4.535  -1.776  -0.780  1.00  0.00           H  
HETATM   76  H   UNL     1       4.553  -4.212  -0.318  1.00  0.00           H  
HETATM   77  H   UNL     1       4.445  -3.882   1.428  1.00  0.00           H  
HETATM   78  H   UNL     1       2.282  -2.722   1.074  1.00  0.00           H  
HETATM   79  H   UNL     1       2.390  -3.052  -0.671  1.00  0.00           H  
HETATM   80  H   UNL     1       2.474  -5.509  -0.152  1.00  0.00           H  
HETATM   81  H   UNL     1       1.920  -4.631   2.559  1.00  0.00           H  
HETATM   82  H   UNL     1       0.641  -6.774   0.080  1.00  0.00           H  
HETATM   83  H   UNL     1      -0.919  -7.243   1.907  1.00  0.00           H  
HETATM   84  H   UNL     1       0.367  -6.166   2.502  1.00  0.00           H  
HETATM   85  H   UNL     1      -1.805  -5.379   3.110  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.955  -5.699  -1.535  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.720  -6.960  -0.540  1.00  0.00           H  
HETATM   88  H   UNL     1      -3.850  -5.909  -0.931  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.656  -3.549  -2.129  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.573  -4.299   0.857  1.00  0.00           H  
HETATM   91  H   UNL     1      -3.969  -2.962  -0.152  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.516  -3.635  -1.969  1.00  0.00           H  
HETATM   93  H   UNL     1      -6.120  -4.971  -0.961  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.878  -3.341   0.747  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.274  -2.004  -0.261  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.821  -2.677  -2.078  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.425  -4.014  -1.070  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.183  -2.384   0.638  1.00  0.00           H  
HETATM   99  H   UNL     1      -8.579  -1.047  -0.370  1.00  0.00           H  
HETATM  100  H   UNL     1     -10.127  -1.719  -2.188  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.730  -3.056  -1.179  1.00  0.00           H  
HETATM  102  H   UNL     1     -11.530  -1.232   0.542  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.598  -0.023  -2.241  1.00  0.00           H  
HETATM  104  H   UNL     1     -13.802   0.666  -0.979  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.866   0.573   0.532  1.00  0.00           H  
HETATM  106  H   UNL     1     -11.362   2.365  -0.289  1.00  0.00           H  
HETATM  107  H   UNL     1     -12.298   2.458  -1.800  1.00  0.00           H  
HETATM  108  H   UNL     1     -14.325   3.063  -0.507  1.00  0.00           H  
HETATM  109  H   UNL     1     -13.389   2.970   1.004  1.00  0.00           H  
HETATM  110  H   UNL     1     -11.885   4.762   0.183  1.00  0.00           H  
HETATM  111  H   UNL     1     -12.821   4.856  -1.328  1.00  0.00           H  
HETATM  112  H   UNL     1     -14.849   5.460  -0.034  1.00  0.00           H  
HETATM  113  H   UNL     1     -13.912   5.367   1.477  1.00  0.00           H  
HETATM  114  H   UNL     1     -12.408   7.159   0.655  1.00  0.00           H  
HETATM  115  H   UNL     1     -13.344   7.253  -0.856  1.00  0.00           H  
HETATM  116  H   UNL     1     -15.372   7.857   0.438  1.00  0.00           H  
HETATM  117  H   UNL     1     -14.436   7.764   1.949  1.00  0.00           H  
HETATM  118  H   UNL     1     -12.932   9.556   1.128  1.00  0.00           H  
HETATM  119  H   UNL     1     -13.868   9.649  -0.383  1.00  0.00           H  
HETATM  120  H   UNL     1     -14.576  11.410   1.212  1.00  0.00           H  
HETATM  121  H   UNL     1     -15.895  10.254   0.910  1.00  0.00           H  
HETATM  122  H   UNL     1     -14.959  10.161   2.421  1.00  0.00           H  
CONECT    1    2   45   46   47                                       
CONECT    2    1    3   48   49                                       
CONECT    3    2    4   50   51                                       
CONECT    4    3    5   52   53                                       
CONECT    5    4    6   54   55                                       
CONECT    6    5    7   56   57                                       
CONECT    7    6    8   58   59                                       
CONECT    8    9    7   60   61                                       
CONECT    9   10    8   62   63                                       
CONECT   10   11    9   64   65                                       
CONECT   11   12   10   66   67                                       
CONECT   12   13   11   68   69                                       
CONECT   13   14   12   70   71                                       
CONECT   14   15   13   72   73                                       
CONECT   15   16   14   74   75                                       
CONECT   16   17   15   76   77                                       
CONECT   17   18   16   78   79                                       
CONECT   18   20   17   19   80                                       
CONECT   19   18   81                                                 
CONECT   20   21   18                                                 
CONECT   21   20   22   24   82                                       
CONECT   22   23   21   83   84                                       
CONECT   23   22   85                                                 
CONECT   24   25   21   86   87                                       
CONECT   25   26   24                                                 
CONECT   26   27   28   25   88                                       
CONECT   27   26   89                                                 
CONECT   28   29   26   90   91                                       
CONECT   29   30   28   92   93                                       
CONECT   30   31   29   94   95                                       
CONECT   31   30   32   96   97                                       
CONECT   32   33   31   98   99                                       
CONECT   33   34   32  100  101                                       
CONECT   34   35   35   33  102                                       
CONECT   35   36   34   34  103                                       
CONECT   36   35   37  104  105                                       
CONECT   37   36   38  106  107                                       
CONECT   38   37   39  108  109                                       
CONECT   39   38   40  110  111                                       
CONECT   40   39   41  112  113                                       
CONECT   41   42   40  114  115                                       
CONECT   42   43   41  116  117                                       
CONECT   43   44   42  118  119                                       
CONECT   44   43  120  121  122                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    1                                                      
CONECT   48    2                                                      
CONECT   49    2                                                      
CONECT   50    3                                                      
CONECT   51    3                                                      
CONECT   52    4                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    5                                                      
CONECT   56    6                                                      
CONECT   57    6                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63    9                                                      
CONECT   64   10                                                      
CONECT   65   10                                                      
CONECT   66   11                                                      
CONECT   67   11                                                      
CONECT   68   12                                                      
CONECT   69   12                                                      
CONECT   70   13                                                      
CONECT   71   13                                                      
CONECT   72   14                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   17                                                      
CONECT   79   17                                                      
CONECT   80   18                                                      
CONECT   81   19                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   22                                                      
CONECT   85   23                                                      
CONECT   86   24                                                      
CONECT   87   24                                                      
CONECT   88   26                                                      
CONECT   89   27                                                      
CONECT   90   28                                                      
CONECT   91   28                                                      
CONECT   92   29                                                      
CONECT   93   29                                                      
CONECT   94   30                                                      
CONECT   95   30                                                      
CONECT   96   31                                                      
CONECT   97   31                                                      
CONECT   98   32                                                      
CONECT   99   32                                                      
CONECT  100   33                                                      
CONECT  101   33                                                      
CONECT  102   34                                                      
CONECT  103   35                                                      
CONECT  104   36                                                      
CONECT  105   36                                                      
CONECT  106   37                                                      
CONECT  107   37                                                      
CONECT  108   38                                                      
CONECT  109   38                                                      
CONECT  110   39                                                      
CONECT  111   39                                                      
CONECT  112   40                                                      
CONECT  113   40                                                      
CONECT  114   41                                                      
CONECT  115   41                                                      
CONECT  116   42                                                      
CONECT  117   42                                                      
CONECT  118   43                                                      
CONECT  119   43                                                      
CONECT  120   44                                                      
CONECT  121   44                                                      
CONECT  122   44                                                      
MASTER        0    0    0    0    0    0    0    0  122    0  122    0
END
