COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1     -14.730  -3.727   1.098  1.00  0.00           C  
HETATM    2  C   UNL     1     -14.872  -4.472  -0.204  1.00  0.00           C  
HETATM    3  C   UNL     1     -15.895  -5.571  -0.336  1.00  0.00           C  
HETATM    4  C   UNL     1     -14.106  -4.165  -1.221  1.00  0.00           C  
HETATM    5  C   UNL     1     -13.000  -3.156  -1.054  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.656  -3.814  -1.374  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.550  -2.805  -1.207  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.200  -1.875  -2.340  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.892  -2.736  -0.076  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.872  -1.646   0.137  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.280  -0.795   1.342  1.00  0.00           C  
HETATM   12  C   UNL     1      -8.261   0.294   1.555  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.016   0.014   2.357  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.457   1.484   1.043  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.387   2.539   1.157  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.948   2.973  -0.243  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.878   4.028  -0.129  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.262   5.476   0.043  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.614   3.687  -0.179  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.544   4.724   0.048  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.653   4.290   1.213  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.583   5.327   1.441  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.865   6.521   2.316  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.408   5.190   0.878  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.172   4.078  -0.112  1.00  0.00           C  
HETATM   26  C   UNL     1       0.385   4.663  -1.412  1.00  0.00           C  
HETATM   27  C   UNL     1       0.621   3.551  -2.401  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.505   3.074  -3.282  1.00  0.00           C  
HETATM   29  C   UNL     1       1.805   2.999  -2.495  1.00  0.00           C  
HETATM   30  C   UNL     1       2.896   3.385  -1.529  1.00  0.00           C  
HETATM   31  C   UNL     1       8.187  -2.064   0.492  1.00  0.00           C  
HETATM   32  C   UNL     1       6.888  -3.747   1.602  1.00  0.00           C  
HETATM   33  C   UNL     1       6.751  -4.493   2.931  1.00  0.00           C  
HETATM   34  C   UNL     1       7.140  -4.753   0.475  1.00  0.00           C  
HETATM   35  C   UNL     1       7.336  -3.994  -0.841  1.00  0.00           C  
HETATM   36  C   UNL     1       8.491  -3.002  -0.679  1.00  0.00           C  
HETATM   37  C   UNL     1       9.829  -1.663  -2.213  1.00  0.00           C  
HETATM   38  C   UNL     1       9.982  -0.857  -3.477  1.00  0.00           C  
HETATM   39  N   UNL     1       8.640  -2.218  -1.908  1.00  0.00           N  
HETATM   40  O   UNL     1       3.570   2.208  -1.077  1.00  0.00           O  
HETATM   41  O   UNL     1       4.270   2.791   1.389  1.00  0.00           O  
HETATM   42  O   UNL     1       5.852   3.145  -0.545  1.00  0.00           O  
HETATM   43  O   UNL     1       5.391   0.762   0.149  1.00  0.00           O  
HETATM   44  O   UNL     1       7.887   1.046   0.397  1.00  0.00           O  
HETATM   45  O   UNL     1       6.627   0.120   2.378  1.00  0.00           O  
HETATM   46  O   UNL     1       7.006  -1.312   0.206  1.00  0.00           O  
HETATM   47  O   UNL     1       7.985  -2.835   1.679  1.00  0.00           O  
HETATM   48  O   UNL     1       6.401  -3.568   3.962  1.00  0.00           O  
HETATM   49  O   UNL     1       6.018  -5.630   0.359  1.00  0.00           O  
HETATM   50  O   UNL     1       7.642  -4.921  -1.885  1.00  0.00           O  
HETATM   51  O   UNL     1      10.776  -1.811  -1.470  1.00  0.00           O  
HETATM   52  P   UNL     1       4.794   2.247  -0.032  1.00  0.00           P  
HETATM   53  P   UNL     1       6.753   0.173   0.774  1.00  0.00           P  
HETATM   54  H   UNL     1     -14.835  -2.657   0.918  1.00  0.00           H  
HETATM   55  H   UNL     1     -15.503  -4.056   1.792  1.00  0.00           H  
HETATM   56  H   UNL     1     -13.748  -3.929   1.527  1.00  0.00           H  
HETATM   57  H   UNL     1     -16.838  -5.149  -0.684  1.00  0.00           H  
HETATM   58  H   UNL     1     -15.542  -6.312  -1.052  1.00  0.00           H  
HETATM   59  H   UNL     1     -16.046  -6.045   0.634  1.00  0.00           H  
HETATM   60  H   UNL     1     -14.268  -4.635  -2.180  1.00  0.00           H  
HETATM   61  H   UNL     1     -13.165  -2.319  -1.733  1.00  0.00           H  
HETATM   62  H   UNL     1     -12.991  -2.793  -0.026  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.491  -4.651  -0.695  1.00  0.00           H  
HETATM   64  H   UNL     1     -11.665  -4.177  -2.402  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.787  -2.138  -3.220  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.422  -0.848  -2.049  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.139  -1.966  -2.570  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.080  -3.459   0.703  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.896  -2.094   0.322  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.821  -1.018  -0.751  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.256  -0.348   1.157  1.00  0.00           H  
HETATM   72  H   UNL     1      -9.331  -1.424   2.230  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.003  -1.034   2.654  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.136   0.231   1.750  1.00  0.00           H  
HETATM   75  H   UNL     1      -7.007   0.645   3.246  1.00  0.00           H  
HETATM   76  H   UNL     1      -9.386   1.709   0.540  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.781   3.399   1.698  1.00  0.00           H  
HETATM   78  H   UNL     1      -6.531   2.132   1.696  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.554   2.113  -0.784  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.804   3.380  -0.782  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.346   5.557   0.118  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.803   5.868   0.950  1.00  0.00           H  
HETATM   83  H   UNL     1      -5.913   6.048  -0.817  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.339   2.663  -0.384  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.940   4.826  -0.853  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.010   5.681   0.283  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.257   4.188   2.115  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.187   3.333   0.978  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.601   6.286   3.347  1.00  0.00           H  
HETATM   90  H   UNL     1      -1.273   7.370   1.974  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.925   6.770   2.260  1.00  0.00           H  
HETATM   92  H   UNL     1       0.391   5.874   1.122  1.00  0.00           H  
HETATM   93  H   UNL     1       0.544   3.369   0.303  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.113   3.568  -0.316  1.00  0.00           H  
HETATM   95  H   UNL     1      -0.331   5.372  -1.827  1.00  0.00           H  
HETATM   96  H   UNL     1       1.326   5.173  -1.207  1.00  0.00           H  
HETATM   97  H   UNL     1      -0.511   3.650  -4.208  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.364   2.018  -3.513  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.454   3.209  -2.764  1.00  0.00           H  
HETATM  100  H   UNL     1       2.000   2.267  -3.265  1.00  0.00           H  
HETATM  101  H   UNL     1       3.607   4.042  -2.028  1.00  0.00           H  
HETATM  102  H   UNL     1       2.458   3.903  -0.676  1.00  0.00           H  
HETATM  103  H   UNL     1       9.025  -1.383   0.640  1.00  0.00           H  
HETATM  104  H   UNL     1       5.970  -3.195   1.398  1.00  0.00           H  
HETATM  105  H   UNL     1       5.972  -5.251   2.843  1.00  0.00           H  
HETATM  106  H   UNL     1       7.698  -4.972   3.178  1.00  0.00           H  
HETATM  107  H   UNL     1       8.035  -5.333   0.698  1.00  0.00           H  
HETATM  108  H   UNL     1       6.423  -3.454  -1.090  1.00  0.00           H  
HETATM  109  H   UNL     1       9.414  -3.546  -0.479  1.00  0.00           H  
HETATM  110  H   UNL     1       9.032  -0.835  -4.011  1.00  0.00           H  
HETATM  111  H   UNL     1      10.281   0.161  -3.225  1.00  0.00           H  
HETATM  112  H   UNL     1      10.743  -1.314  -4.109  1.00  0.00           H  
HETATM  113  H   UNL     1       7.882  -2.100  -2.502  1.00  0.00           H  
HETATM  114  H   UNL     1       3.574   2.250   1.785  1.00  0.00           H  
HETATM  115  H   UNL     1       5.903  -0.435   2.698  1.00  0.00           H  
HETATM  116  H   UNL     1       6.297  -3.972   4.834  1.00  0.00           H  
HETATM  117  H   UNL     1       5.835  -6.143   1.158  1.00  0.00           H  
HETATM  118  H   UNL     1       6.955  -5.583  -2.038  1.00  0.00           H  
CONECT    1    2   54   55   56                                       
CONECT    2    1    3    4    4                                       
CONECT    3    2   57   58   59                                       
CONECT    4    2    2    5   60                                       
CONECT    5    4    6   61   62                                       
CONECT    6    5    7   63   64                                       
CONECT    7    6    8    9    9                                       
CONECT    8    7   65   66   67                                       
CONECT    9    7    7   10   68                                       
CONECT   10    9   11   69   70                                       
CONECT   11   12   10   71   72                                       
CONECT   12   13   14   14   11                                       
CONECT   13   12   73   74   75                                       
CONECT   14   15   12   12   76                                       
CONECT   15   16   14   77   78                                       
CONECT   16   15   17   79   80                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   81   82   83                                       
CONECT   19   17   17   20   84                                       
CONECT   20   19   21   85   86                                       
CONECT   21   20   22   87   88                                       
CONECT   22   21   24   24   23                                       
CONECT   23   22   89   90   91                                       
CONECT   24   25   22   22   92                                       
CONECT   25   26   24   93   94                                       
CONECT   26   27   25   95   96                                       
CONECT   27   28   26   29   29                                       
CONECT   28   27   97   98   99                                       
CONECT   29   27   27   30  100                                       
CONECT   30   29   40  101  102                                       
CONECT   31   46   36   47  103                                       
CONECT   32   34   33   47  104                                       
CONECT   33   48   32  105  106                                       
CONECT   34   35   49   32  107                                       
CONECT   35   50   36   34  108                                       
CONECT   36   31   35   39  109                                       
CONECT   37   39   51   51   38                                       
CONECT   38   37  110  111  112                                       
CONECT   39   36   37  113                                            
CONECT   40   30   52                                                 
CONECT   41   52  114                                                 
CONECT   42   52   52                                                 
CONECT   43   53   52                                                 
CONECT   44   53   53                                                 
CONECT   45   53  115                                                 
CONECT   46   53   31                                                 
CONECT   47   31   32                                                 
CONECT   48   33  116                                                 
CONECT   49   34  117                                                 
CONECT   50   35  118                                                 
CONECT   51   37   37                                                 
CONECT   52   43   40   42   42                                       
CONECT   52   41                                                      
CONECT   53   44   44   45   43                                       
CONECT   53   46                                                      
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    3                                                      
CONECT   58    3                                                      
CONECT   59    3                                                      
CONECT   60    4                                                      
CONECT   61    5                                                      
CONECT   62    5                                                      
CONECT   63    6                                                      
CONECT   64    6                                                      
CONECT   65    8                                                      
CONECT   66    8                                                      
CONECT   67    8                                                      
CONECT   68    9                                                      
CONECT   69   10                                                      
CONECT   70   10                                                      
CONECT   71   11                                                      
CONECT   72   11                                                      
CONECT   73   13                                                      
CONECT   74   13                                                      
CONECT   75   13                                                      
CONECT   76   14                                                      
CONECT   77   15                                                      
CONECT   78   15                                                      
CONECT   79   16                                                      
CONECT   80   16                                                      
CONECT   81   18                                                      
CONECT   82   18                                                      
CONECT   83   18                                                      
CONECT   84   19                                                      
CONECT   85   20                                                      
CONECT   86   20                                                      
CONECT   87   21                                                      
CONECT   88   21                                                      
CONECT   89   23                                                      
CONECT   90   23                                                      
CONECT   91   23                                                      
CONECT   92   24                                                      
CONECT   93   25                                                      
CONECT   94   25                                                      
CONECT   95   26                                                      
CONECT   96   26                                                      
CONECT   97   28                                                      
CONECT   98   28                                                      
CONECT   99   28                                                      
CONECT  100   29                                                      
CONECT  101   30                                                      
CONECT  102   30                                                      
CONECT  103   31                                                      
CONECT  104   32                                                      
CONECT  105   33                                                      
CONECT  106   33                                                      
CONECT  107   34                                                      
CONECT  108   35                                                      
CONECT  109   36                                                      
CONECT  110   38                                                      
CONECT  111   38                                                      
CONECT  112   38                                                      
CONECT  113   39                                                      
CONECT  114   41                                                      
CONECT  115   45                                                      
CONECT  116   48                                                      
CONECT  117   49                                                      
CONECT  118   50                                                      
MASTER        0    0    0    0    0    0    0    0  118    0  118    0
END
