COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       9.136  -1.748  -0.112  1.00  0.00           C  
HETATM    2  O   UNL     1       9.206  -0.323  -0.184  1.00  0.00           O  
HETATM    3  C   UNL     1       8.029   0.349  -0.292  1.00  0.00           C  
HETATM    4  C   UNL     1       6.832  -0.349  -0.323  1.00  0.00           C  
HETATM    5  C   UNL     1       8.023   1.739  -0.367  1.00  0.00           C  
HETATM    6  O   UNL     1       9.194   2.428  -0.332  1.00  0.00           O  
HETATM    7  C   UNL     1       9.111   3.852  -0.413  1.00  0.00           C  
HETATM    8  C   UNL     1       6.820   2.418  -0.477  1.00  0.00           C  
HETATM    9  C   UNL     1       5.630   1.715  -0.513  1.00  0.00           C  
HETATM   10  C   UNL     1       5.636   0.336  -0.433  1.00  0.00           C  
HETATM   11  C   UNL     1       4.335  -0.425  -0.466  1.00  0.00           C  
HETATM   12  C   UNL     1       3.810  -0.600   0.960  1.00  0.00           C  
HETATM   13  C   UNL     1       2.431  -1.263   0.918  1.00  0.00           C  
HETATM   14  O   UNL     1       1.551  -0.490   0.061  1.00  0.00           O  
HETATM   15  C   UNL     1       1.126   0.691   0.538  1.00  0.00           C  
HETATM   16  O   UNL     1       1.470   1.053   1.639  1.00  0.00           O  
HETATM   17  C   UNL     1       0.223   1.569  -0.289  1.00  0.00           C  
HETATM   18  C   UNL     1       0.947   2.882  -0.609  1.00  0.00           C  
HETATM   19  C   UNL     1       1.156   3.672   0.684  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.201   4.014   1.301  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.946   2.723   1.645  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.001   1.860   0.460  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.180   1.338   0.064  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.227   0.615  -0.909  1.00  0.00           O  
HETATM   25  C   UNL     1      -3.437   1.655   0.832  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.992   3.003   0.367  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.166   2.986  -1.153  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.721   4.334  -1.618  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.747   5.448  -1.229  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.573   5.465   0.291  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.018   4.117   0.756  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.464   0.580   0.589  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.146  -0.744   0.827  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.723   0.920   0.129  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.670  -0.067  -0.097  1.00  0.00           C  
HETATM   36  O   UNL     1      -7.908   0.269  -0.551  1.00  0.00           O  
HETATM   37  C   UNL     1      -8.163   1.657  -0.773  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.354  -1.399   0.140  1.00  0.00           C  
HETATM   39  O   UNL     1      -7.281  -2.371  -0.082  1.00  0.00           O  
HETATM   40  C   UNL     1      -7.313  -2.950  -1.388  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.088  -1.737   0.604  1.00  0.00           C  
HETATM   42  O   UNL     1      -4.775  -3.039   0.841  1.00  0.00           O  
HETATM   43  C   UNL     1      -4.006  -3.713  -0.157  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.815  -4.373   0.488  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.789  -4.732  -0.244  1.00  0.00           C  
HETATM   46  C   UNL     1      -0.594  -5.386   0.400  1.00  0.00           C  
HETATM   47  O   UNL     1       0.466  -5.483  -0.552  1.00  0.00           O  
HETATM   48  C   UNL     1       1.572  -4.725  -0.327  1.00  0.00           C  
HETATM   49  C   UNL     1       1.442  -3.432   0.159  1.00  0.00           C  
HETATM   50  C   UNL     1       2.568  -2.665   0.387  1.00  0.00           C  
HETATM   51  C   UNL     1       3.824  -3.186   0.130  1.00  0.00           C  
HETATM   52  C   UNL     1       3.955  -4.474  -0.354  1.00  0.00           C  
HETATM   53  C   UNL     1       2.832  -5.245  -0.583  1.00  0.00           C  
HETATM   54  H   UNL     1      10.143  -2.158  -0.028  1.00  0.00           H  
HETATM   55  H   UNL     1       8.551  -2.040   0.761  1.00  0.00           H  
HETATM   56  H   UNL     1       8.661  -2.135  -1.013  1.00  0.00           H  
HETATM   57  H   UNL     1       6.834  -1.427  -0.261  1.00  0.00           H  
HETATM   58  H   UNL     1       8.633   4.136  -1.350  1.00  0.00           H  
HETATM   59  H   UNL     1       8.524   4.231   0.424  1.00  0.00           H  
HETATM   60  H   UNL     1      10.115   4.277  -0.374  1.00  0.00           H  
HETATM   61  H   UNL     1       6.813   3.496  -0.535  1.00  0.00           H  
HETATM   62  H   UNL     1       4.693   2.246  -0.599  1.00  0.00           H  
HETATM   63  H   UNL     1       3.605   0.129  -1.057  1.00  0.00           H  
HETATM   64  H   UNL     1       4.498  -1.405  -0.916  1.00  0.00           H  
HETATM   65  H   UNL     1       4.498  -1.227   1.526  1.00  0.00           H  
HETATM   66  H   UNL     1       3.729   0.376   1.439  1.00  0.00           H  
HETATM   67  H   UNL     1       2.016  -1.296   1.925  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.030   1.061  -1.219  1.00  0.00           H  
HETATM   69  H   UNL     1       1.913   2.663  -1.063  1.00  0.00           H  
HETATM   70  H   UNL     1       0.344   3.470  -1.301  1.00  0.00           H  
HETATM   71  H   UNL     1       1.734   3.072   1.387  1.00  0.00           H  
HETATM   72  H   UNL     1       1.697   4.593   0.463  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.051   4.599   2.208  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.788   4.594   0.588  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.423   2.204   2.448  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.960   2.963   1.967  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.209   1.705   1.897  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.957   3.182   0.841  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.201   2.807  -1.627  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.860   2.193  -1.431  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.845   4.322  -2.701  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.686   4.513  -1.144  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.782   5.269  -1.703  1.00  0.00           H  
HETATM   84  H   UNL     1      -4.142   6.409  -1.560  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.879   6.259   0.569  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.538   5.644   0.766  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.894   4.129   1.839  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.053   3.938   0.282  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.162  -1.005   1.188  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.968   1.955  -0.055  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.184   1.786  -1.132  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.035   2.204   0.161  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.465   2.040  -1.517  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.349  -3.410  -1.605  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.095  -3.708  -1.430  1.00  0.00           H  
HETATM   96  H   UNL     1      -7.520  -2.174  -2.125  1.00  0.00           H  
HETATM   97  H   UNL     1      -4.623  -4.471  -0.641  1.00  0.00           H  
HETATM   98  H   UNL     1      -3.665  -2.994  -0.901  1.00  0.00           H  
HETATM   99  H   UNL     1      -2.807  -4.550   1.553  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.799  -4.556  -1.310  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.266  -4.786   1.250  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.867  -6.384   0.743  1.00  0.00           H  
HETATM  103  H   UNL     1       0.462  -3.026   0.358  1.00  0.00           H  
HETATM  104  H   UNL     1       4.703  -2.585   0.308  1.00  0.00           H  
HETATM  105  H   UNL     1       4.937  -4.878  -0.554  1.00  0.00           H  
HETATM  106  H   UNL     1       2.935  -6.252  -0.960  1.00  0.00           H  
CONECT    1    2   54   55   56                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3   10   57                                       
CONECT    5    3    6    8    8                                       
CONECT    6    5    7                                                 
CONECT    7    6   58   59   60                                       
CONECT    8    5    5    9   61                                       
CONECT    9   10   10    8   62                                       
CONECT   10    4   11    9    9                                       
CONECT   11   12   10   63   64                                       
CONECT   12   13   11   65   66                                       
CONECT   13   14   50   12   67                                       
CONECT   14   15   13                                                 
CONECT   15   17   16   16   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   22   15   68                                       
CONECT   18   19   17   69   70                                       
CONECT   19   18   20   71   72                                       
CONECT   20   19   21   73   74                                       
CONECT   21   20   22   75   76                                       
CONECT   22   17   21   23                                            
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   32   77                                       
CONECT   26   27   25   31   78                                       
CONECT   27   28   26   79   80                                       
CONECT   28   27   29   81   82                                       
CONECT   29   28   30   83   84                                       
CONECT   30   29   31   85   86                                       
CONECT   31   26   30   87   88                                       
CONECT   32   25   33   33   34                                       
CONECT   33   32   32   41   89                                       
CONECT   34   32   35   35   90                                       
CONECT   35   34   34   38   36                                       
CONECT   36   35   37                                                 
CONECT   37   36   91   92   93                                       
CONECT   38   41   41   35   39                                       
CONECT   39   38   40                                                 
CONECT   40   39   94   95   96                                       
CONECT   41   33   42   38   38                                       
CONECT   42   43   41                                                 
CONECT   43   44   42   97   98                                       
CONECT   44   45   45   43   99                                       
CONECT   45   46   44   44  100                                       
CONECT   46   45   47  101  102                                       
CONECT   47   46   48                                                 
CONECT   48   47   49   53   53                                       
CONECT   49   50   50   48  103                                       
CONECT   50   13   49   49   51                                       
CONECT   51   50   52   52  104                                       
CONECT   52   51   51   53  105                                       
CONECT   53   48   48   52  106                                       
CONECT   54    1                                                      
CONECT   55    1                                                      
CONECT   56    1                                                      
CONECT   57    4                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    7                                                      
CONECT   61    8                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   17                                                      
CONECT   69   18                                                      
CONECT   70   18                                                      
CONECT   71   19                                                      
CONECT   72   19                                                      
CONECT   73   20                                                      
CONECT   74   20                                                      
CONECT   75   21                                                      
CONECT   76   21                                                      
CONECT   77   25                                                      
CONECT   78   26                                                      
CONECT   79   27                                                      
CONECT   80   27                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   29                                                      
CONECT   84   29                                                      
CONECT   85   30                                                      
CONECT   86   30                                                      
CONECT   87   31                                                      
CONECT   88   31                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   37                                                      
CONECT   94   40                                                      
CONECT   95   40                                                      
CONECT   96   40                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   44                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103   49                                                      
CONECT  104   51                                                      
CONECT  105   52                                                      
CONECT  106   53                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
