COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.780  -2.305   0.135  1.00  0.00           C  
HETATM    2  O   UNL     1       3.431  -1.282   0.684  1.00  0.00           O  
HETATM    3  C   UNL     1       5.049  -2.996   0.564  1.00  0.00           C  
HETATM    4  C   UNL     1       5.701  -2.205   1.700  1.00  0.00           C  
HETATM    5  C   UNL     1       6.970  -2.895   2.129  1.00  0.00           C  
HETATM    6  C   UNL     1       8.105  -2.204   2.223  1.00  0.00           C  
HETATM    7  C   UNL     1       8.071  -0.735   2.256  1.00  0.00           C  
HETATM    8  O   UNL     1       7.005  -0.154   2.326  1.00  0.00           O  
HETATM    9  C   UNL     1       9.331   0.035   2.203  1.00  0.00           C  
HETATM   10  C   UNL     1      10.556  -0.630   2.116  1.00  0.00           C  
HETATM   11  C   UNL     1      11.729   0.095   2.067  1.00  0.00           C  
HETATM   12  C   UNL     1      11.693   1.478   2.104  1.00  0.00           C  
HETATM   13  C   UNL     1      10.483   2.143   2.191  1.00  0.00           C  
HETATM   14  C   UNL     1       9.302   1.431   2.234  1.00  0.00           C  
HETATM   15  C   UNL     1       0.662  -2.601  -0.374  1.00  0.00           C  
HETATM   16  N   UNL     1       3.030  -2.829  -0.855  1.00  0.00           N  
HETATM   17  O   UNL     1       0.869  -3.394   0.520  1.00  0.00           O  
HETATM   18  CA  UNL     1       1.793  -2.161  -1.268  1.00  0.00           C  
HETATM   19  C   UNL     1       1.472  -2.532  -2.717  1.00  0.00           C  
HETATM   20  C   UNL     1       2.543  -1.985  -3.625  1.00  0.00           C  
HETATM   21  C   UNL     1       1.420   0.183  -4.286  1.00  0.00           C  
HETATM   22  C   UNL     1       1.589   1.110  -3.080  1.00  0.00           C  
HETATM   23  C   UNL     1       0.452   2.134  -3.060  1.00  0.00           C  
HETATM   24  C   UNL     1       0.622   3.061  -1.855  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.515   4.085  -1.835  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.345   5.012  -0.629  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.482   6.036  -0.610  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.313   6.962   0.596  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.432   7.971   0.615  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.288   9.176  -0.046  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.315  10.101  -0.028  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.486   9.821   0.650  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.631   8.616   1.311  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.606   7.688   1.289  1.00  0.00           C  
HETATM   35  N   UNL     1       2.508  -0.797  -4.304  1.00  0.00           N  
HETATM   36  C   UNL     1       3.721  -2.568  -3.919  1.00  0.00           C  
HETATM   37  C   UNL     1       3.664  -0.698  -4.995  1.00  0.00           C  
HETATM   38  N   UNL     1       4.385  -1.760  -4.760  1.00  0.00           N  
HETATM   39  N   UNL     1      -0.579  -2.112  -0.568  1.00  0.00           N  
HETATM   40  CA  UNL     1      -1.679  -2.540   0.300  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.987  -2.385  -0.431  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.999  -1.959  -1.567  1.00  0.00           O  
HETATM   43  C   UNL     1      -1.695  -1.677   1.564  1.00  0.00           C  
HETATM   44  O   UNL     1      -1.995  -0.325   1.213  1.00  0.00           O  
HETATM   45  N   UNL     1      -4.142  -2.719   0.176  1.00  0.00           N  
HETATM   46  C   UNL     1      -5.414  -2.568  -0.536  1.00  0.00           C  
HETATM   47  C   UNL     1      -6.444  -3.537   0.050  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.887  -4.961   0.007  1.00  0.00           C  
HETATM   49  O   UNL     1      -6.723  -3.174   1.403  1.00  0.00           O  
HETATM   50  P   UNL     1      -8.193  -2.767   1.917  1.00  0.00           P  
HETATM   51  O   UNL     1      -8.716  -1.658   1.088  1.00  0.00           O  
HETATM   52  O   UNL     1      -9.175  -4.037   1.796  1.00  0.00           O  
HETATM   53  O   UNL     1      -8.114  -2.296   3.454  1.00  0.00           O  
HETATM   54  C   UNL     1      -5.911  -1.154  -0.382  1.00  0.00           C  
HETATM   55  O   UNL     1      -5.266  -0.351   0.258  1.00  0.00           O  
HETATM   56  N   UNL     1      -7.071  -0.781  -0.957  1.00  0.00           N  
HETATM   57  H   UNL     1       4.816  -4.003   0.909  1.00  0.00           H  
HETATM   58  H   UNL     1       5.736  -3.051  -0.281  1.00  0.00           H  
HETATM   59  H   UNL     1       5.934  -1.198   1.354  1.00  0.00           H  
HETATM   60  H   UNL     1       5.014  -2.149   2.545  1.00  0.00           H  
HETATM   61  H   UNL     1       6.959  -3.950   2.360  1.00  0.00           H  
HETATM   62  H   UNL     1       9.050  -2.724   2.274  1.00  0.00           H  
HETATM   63  H   UNL     1      10.586  -1.709   2.087  1.00  0.00           H  
HETATM   64  H   UNL     1      12.677  -0.418   2.000  1.00  0.00           H  
HETATM   65  H   UNL     1      12.614   2.040   2.066  1.00  0.00           H  
HETATM   66  H   UNL     1      10.462   3.222   2.220  1.00  0.00           H  
HETATM   67  H   UNL     1       8.358   1.951   2.296  1.00  0.00           H  
HETATM   68  H   UNL     1       3.309  -3.647  -1.294  1.00  0.00           H  
HETATM   69  HA  UNL     1       1.919  -1.081  -1.189  1.00  0.00           H  
HETATM   70  H   UNL     1       1.433  -3.617  -2.814  1.00  0.00           H  
HETATM   71  H   UNL     1       0.507  -2.108  -2.996  1.00  0.00           H  
HETATM   72  H   UNL     1       0.464  -0.336  -4.213  1.00  0.00           H  
HETATM   73  H   UNL     1       1.445   0.772  -5.203  1.00  0.00           H  
HETATM   74  H   UNL     1       1.564   0.521  -2.163  1.00  0.00           H  
HETATM   75  H   UNL     1       2.545   1.629  -3.152  1.00  0.00           H  
HETATM   76  H   UNL     1       0.478   2.723  -3.977  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.503   1.615  -2.988  1.00  0.00           H  
HETATM   78  H   UNL     1       0.596   2.472  -0.938  1.00  0.00           H  
HETATM   79  H   UNL     1       1.577   3.580  -1.927  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.489   4.673  -2.752  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.470   3.566  -1.763  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.371   4.423   0.288  1.00  0.00           H  
HETATM   83  H   UNL     1       0.610   5.531  -0.702  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.457   6.624  -1.527  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.438   5.516  -0.538  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.338   6.374   1.513  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.357   7.482   0.524  1.00  0.00           H  
HETATM   88  H   UNL     1      -1.373   9.395  -0.576  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.202  11.044  -0.544  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.288  10.544   0.665  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.546   8.397   1.842  1.00  0.00           H  
HETATM   92  H   UNL     1      -3.720   6.745   1.802  1.00  0.00           H  
HETATM   93  H   UNL     1       4.070  -3.518  -3.544  1.00  0.00           H  
HETATM   94  H   UNL     1       3.947   0.126  -5.634  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.744  -1.478  -1.283  1.00  0.00           H  
HETATM   96  HA  UNL     1      -1.538  -3.585   0.576  1.00  0.00           H  
HETATM   97  H1  UNL     1      -2.455  -2.052   2.249  1.00  0.00           H  
HETATM   98  H2  UNL     1      -0.719  -1.720   2.046  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.022   0.280   1.967  1.00  0.00           H  
HETATM  100  H   UNL     1      -4.132  -3.060   1.084  1.00  0.00           H  
HETATM  101  H   UNL     1      -5.267  -2.789  -1.593  1.00  0.00           H  
HETATM  102  H   UNL     1      -7.362  -3.488  -0.536  1.00  0.00           H  
HETATM  103  H   UNL     1      -4.969  -5.009   0.593  1.00  0.00           H  
HETATM  104  H   UNL     1      -6.620  -5.651   0.424  1.00  0.00           H  
HETATM  105  H   UNL     1      -5.674  -5.237  -1.025  1.00  0.00           H  
HETATM  106  H   UNL     1      -8.894  -4.803   2.314  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.965  -2.035   3.831  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.587  -1.423  -1.469  1.00  0.00           H  
HETATM  109  H   UNL     1      -7.391   0.130  -0.858  1.00  0.00           H  
CONECT    1    2    2    3   16                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   57   58                                       
CONECT    4    3    5   59   60                                       
CONECT    5    4    6    6   61                                       
CONECT    6    5    5    7   62                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9    7   14   14   10                                       
CONECT   10    9   11   11   63                                       
CONECT   11   10   10   12   64                                       
CONECT   12   11   13   13   65                                       
CONECT   13   12   12   14   66                                       
CONECT   14    9    9   13   67                                       
CONECT   15   17   17   18   39                                       
CONECT   16   18   68    1                                            
CONECT   17   15   15                                                 
CONECT   18   15   16   19   69                                       
CONECT   19   18   20   70   71                                       
CONECT   20   19   36   36   35                                       
CONECT   21   35   22   72   73                                       
CONECT   22   21   23   74   75                                       
CONECT   23   22   24   76   77                                       
CONECT   24   23   25   78   79                                       
CONECT   25   24   26   80   81                                       
CONECT   26   25   27   82   83                                       
CONECT   27   26   28   84   85                                       
CONECT   28   27   29   86   87                                       
CONECT   29   28   34   34   30                                       
CONECT   30   29   31   31   88                                       
CONECT   31   30   30   32   89                                       
CONECT   32   31   33   33   90                                       
CONECT   33   32   32   34   91                                       
CONECT   34   29   29   33   92                                       
CONECT   35   20   21   37                                            
CONECT   36   20   20   38   93                                       
CONECT   37   35   38   38   94                                       
CONECT   38   36   37   37                                            
CONECT   39   40   95   15                                            
CONECT   40   39   41   43   96                                       
CONECT   41   40   42   42   45                                       
CONECT   42   41   41                                                 
CONECT   43   40   44   97   98                                       
CONECT   44   43   99                                                 
CONECT   45   46  100   41                                            
CONECT   46   45   47   54  101                                       
CONECT   47   46   48   49  102                                       
CONECT   48   47  103  104  105                                       
CONECT   49   47   50                                                 
CONECT   50   49   51   51   52                                       
CONECT   50   53                                                      
CONECT   51   50   50                                                 
CONECT   52   50  106                                                 
CONECT   53   50  107                                                 
CONECT   54   46   55   55   56                                       
CONECT   55   54   54                                                 
CONECT   56  108  109   54                                            
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    4                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    6                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   16                                                      
CONECT   69   18                                                      
CONECT   70   19                                                      
CONECT   71   19                                                      
CONECT   72   21                                                      
CONECT   73   21                                                      
CONECT   74   22                                                      
CONECT   75   22                                                      
CONECT   76   23                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   24                                                      
CONECT   80   25                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   26                                                      
CONECT   84   27                                                      
CONECT   85   27                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   30                                                      
CONECT   89   31                                                      
CONECT   90   32                                                      
CONECT   91   33                                                      
CONECT   92   34                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   47                                                      
CONECT  103   48                                                      
CONECT  104   48                                                      
CONECT  105   48                                                      
CONECT  106   52                                                      
CONECT  107   53                                                      
CONECT  108   56                                                      
CONECT  109   56                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
