COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.406  -2.281   0.962  1.00  0.00           C  
HETATM    2  O   UNL     1       4.823  -3.322   1.188  1.00  0.00           O  
HETATM    3  O   UNL     1       6.730  -2.187   1.191  1.00  0.00           O  
HETATM    4  C   UNL     1       7.395  -3.370   1.707  1.00  0.00           C  
HETATM    5  C   UNL     1       8.861  -3.079   1.899  1.00  0.00           C  
HETATM    6  C   UNL     1       9.314  -2.581   3.106  1.00  0.00           C  
HETATM    7  C   UNL     1      10.659  -2.313   3.282  1.00  0.00           C  
HETATM    8  C   UNL     1      11.550  -2.545   2.251  1.00  0.00           C  
HETATM    9  C   UNL     1      11.097  -3.045   1.045  1.00  0.00           C  
HETATM   10  C   UNL     1       9.753  -3.316   0.870  1.00  0.00           C  
HETATM   11  N   UNL     1       4.730  -1.220   0.478  1.00  0.00           N  
HETATM   12  C   UNL     1       3.291  -1.324   0.224  1.00  0.00           C  
HETATM   13  C   UNL     1       2.522  -1.038   1.516  1.00  0.00           C  
HETATM   14  C   UNL     1       2.755   0.414   1.937  1.00  0.00           C  
HETATM   15  C   UNL     1       1.028  -1.268   1.282  1.00  0.00           C  
HETATM   16  C   UNL     1       3.016  -1.975   2.620  1.00  0.00           C  
HETATM   17  C   UNL     1       2.893  -0.321  -0.829  1.00  0.00           C  
HETATM   18  O   UNL     1       3.655   0.571  -1.135  1.00  0.00           O  
HETATM   19  N   UNL     1       1.691  -0.417  -1.431  1.00  0.00           N  
HETATM   20  C   UNL     1       1.275   0.598  -2.402  1.00  0.00           C  
HETATM   21  C   UNL     1       1.830   0.241  -3.782  1.00  0.00           C  
HETATM   22  C   UNL     1       3.335   0.311  -3.752  1.00  0.00           C  
HETATM   23  C   UNL     1       4.073  -0.811  -3.420  1.00  0.00           C  
HETATM   24  C   UNL     1       3.979   1.495  -4.061  1.00  0.00           C  
HETATM   25  C   UNL     1       5.453  -0.746  -3.392  1.00  0.00           C  
HETATM   26  C   UNL     1       5.359   1.559  -4.033  1.00  0.00           C  
HETATM   27  C   UNL     1       6.097   0.439  -3.696  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.253   0.649  -2.464  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.756  -0.627  -2.864  1.00  0.00           O  
HETATM   30  N   UNL     1      -0.290   2.319  -0.673  1.00  0.00           N  
HETATM   31  C   UNL     1      -0.808   1.007  -1.084  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.319   2.461   0.789  1.00  0.00           C  
HETATM   33  C   UNL     1       0.094   3.861   1.166  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.861   4.854   1.281  1.00  0.00           C  
HETATM   35  C   UNL     1      -0.486   6.138   1.626  1.00  0.00           C  
HETATM   36  C   UNL     1       1.426   4.148   1.400  1.00  0.00           C  
HETATM   37  C   UNL     1       1.806   5.431   1.746  1.00  0.00           C  
HETATM   38  C   UNL     1       0.851   6.430   1.857  1.00  0.00           C  
HETATM   39  O   UNL     1       1.222   7.693   2.196  1.00  0.00           O  
HETATM   40  C   UNL     1       2.615   7.921   2.418  1.00  0.00           C  
HETATM   41  C   UNL     1      -2.313   1.057  -1.145  1.00  0.00           C  
HETATM   42  O   UNL     1      -2.876   2.109  -1.361  1.00  0.00           O  
HETATM   43  N   UNL     1      -3.032  -0.068  -0.960  1.00  0.00           N  
HETATM   44  C   UNL     1      -4.495  -0.019  -1.020  1.00  0.00           C  
HETATM   45  C   UNL     1      -5.069  -1.157  -0.216  1.00  0.00           C  
HETATM   46  O   UNL     1      -4.349  -2.059   0.157  1.00  0.00           O  
HETATM   47  C   UNL     1      -4.951  -0.142  -2.475  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.465   1.075  -3.266  1.00  0.00           C  
HETATM   49  C   UNL     1      -4.364  -1.415  -3.088  1.00  0.00           C  
HETATM   50  N   UNL     1      -6.382  -1.173   0.087  1.00  0.00           N  
HETATM   51  C   UNL     1      -6.919  -2.220   0.960  1.00  0.00           C  
HETATM   52  C   UNL     1      -8.401  -2.013   1.140  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.284  -2.429   0.154  1.00  0.00           C  
HETATM   54  C   UNL     1     -10.648  -2.238   0.321  1.00  0.00           C  
HETATM   55  C   UNL     1      -8.879  -1.413   2.290  1.00  0.00           C  
HETATM   56  C   UNL     1     -10.237  -1.222   2.458  1.00  0.00           C  
HETATM   57  C   UNL     1     -11.124  -1.631   1.473  1.00  0.00           C  
HETATM   58  O   UNL     1     -12.460  -1.442   1.639  1.00  0.00           O  
HETATM   59  C   UNL     1     -12.880  -0.811   2.850  1.00  0.00           C  
HETATM   60  O   UNL     1      -8.814  -3.023  -0.974  1.00  0.00           O  
HETATM   61  H   UNL     1       6.951  -3.648   2.663  1.00  0.00           H  
HETATM   62  H   UNL     1       7.277  -4.191   1.000  1.00  0.00           H  
HETATM   63  H   UNL     1       8.618  -2.399   3.911  1.00  0.00           H  
HETATM   64  H   UNL     1      11.013  -1.923   4.225  1.00  0.00           H  
HETATM   65  H   UNL     1      12.601  -2.336   2.389  1.00  0.00           H  
HETATM   66  H   UNL     1      11.794  -3.226   0.239  1.00  0.00           H  
HETATM   67  H   UNL     1       9.399  -3.710  -0.071  1.00  0.00           H  
HETATM   68  H   UNL     1       5.195  -0.389   0.298  1.00  0.00           H  
HETATM   69  H   UNL     1       3.055  -2.329  -0.124  1.00  0.00           H  
HETATM   70  H   UNL     1       2.404   1.082   1.150  1.00  0.00           H  
HETATM   71  H   UNL     1       2.208   0.618   2.857  1.00  0.00           H  
HETATM   72  H   UNL     1       3.820   0.578   2.103  1.00  0.00           H  
HETATM   73  H   UNL     1       0.843  -2.332   1.135  1.00  0.00           H  
HETATM   74  H   UNL     1       0.467  -0.918   2.148  1.00  0.00           H  
HETATM   75  H   UNL     1       0.710  -0.718   0.396  1.00  0.00           H  
HETATM   76  H   UNL     1       4.081  -1.811   2.787  1.00  0.00           H  
HETATM   77  H   UNL     1       2.469  -1.771   3.541  1.00  0.00           H  
HETATM   78  H   UNL     1       2.850  -3.010   2.320  1.00  0.00           H  
HETATM   79  H   UNL     1       1.101  -1.157  -1.220  1.00  0.00           H  
HETATM   80  H   UNL     1       1.659   1.572  -2.097  1.00  0.00           H  
HETATM   81  H   UNL     1       1.519  -0.769  -4.049  1.00  0.00           H  
HETATM   82  H   UNL     1       1.449   0.946  -4.521  1.00  0.00           H  
HETATM   83  H   UNL     1       3.570  -1.737  -3.183  1.00  0.00           H  
HETATM   84  H   UNL     1       3.403   2.369  -4.324  1.00  0.00           H  
HETATM   85  H   UNL     1       6.030  -1.622  -3.133  1.00  0.00           H  
HETATM   86  H   UNL     1       5.862   2.484  -4.275  1.00  0.00           H  
HETATM   87  H   UNL     1       7.175   0.489  -3.674  1.00  0.00           H  
HETATM   88  H   UNL     1      -0.562   1.404  -3.187  1.00  0.00           H  
HETATM   89  H   UNL     1      -0.518  -1.349  -2.265  1.00  0.00           H  
HETATM   90  H   UNL     1       0.640   2.470  -1.033  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.498   0.251  -0.361  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.328   2.269   1.154  1.00  0.00           H  
HETATM   93  H   UNL     1       0.372   1.746   1.237  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.901   4.626   1.102  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.232   6.913   1.716  1.00  0.00           H  
HETATM   96  H   UNL     1       2.169   3.370   1.312  1.00  0.00           H  
HETATM   97  H   UNL     1       2.847   5.655   1.929  1.00  0.00           H  
HETATM   98  H   UNL     1       2.963   7.285   3.233  1.00  0.00           H  
HETATM   99  H   UNL     1       3.172   7.686   1.511  1.00  0.00           H  
HETATM  100  H   UNL     1       2.775   8.967   2.681  1.00  0.00           H  
HETATM  101  H   UNL     1      -2.582  -0.909  -0.788  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.844   0.928  -0.609  1.00  0.00           H  
HETATM  103  H   UNL     1      -6.039  -0.188  -2.513  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.378   1.051  -3.338  1.00  0.00           H  
HETATM  105  H   UNL     1      -4.896   1.054  -4.267  1.00  0.00           H  
HETATM  106  H   UNL     1      -4.775   1.987  -2.756  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.710  -2.282  -2.524  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.689  -1.503  -4.125  1.00  0.00           H  
HETATM  109  H   UNL     1      -3.276  -1.368  -3.050  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.971  -0.492  -0.272  1.00  0.00           H  
HETATM  111  H   UNL     1      -6.742  -3.196   0.508  1.00  0.00           H  
HETATM  112  H   UNL     1      -6.425  -2.174   1.930  1.00  0.00           H  
HETATM  113  H   UNL     1     -11.337  -2.561  -0.445  1.00  0.00           H  
HETATM  114  H   UNL     1      -8.190  -1.093   3.058  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.608  -0.753   3.358  1.00  0.00           H  
HETATM  116  H   UNL     1     -12.561  -1.411   3.702  1.00  0.00           H  
HETATM  117  H   UNL     1     -12.433   0.181   2.916  1.00  0.00           H  
HETATM  118  H   UNL     1     -13.966  -0.721   2.855  1.00  0.00           H  
HETATM  119  H   UNL     1      -8.740  -3.985  -0.910  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   61   62                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   63                                       
CONECT    7    6    8    8   64                                       
CONECT    8    7    7    9   65                                       
CONECT    9    8   10   10   66                                       
CONECT   10    5    9    9   67                                       
CONECT   11   12   68    1                                            
CONECT   12   11   13   17   69                                       
CONECT   13   12   14   15   16                                       
CONECT   14   13   70   71   72                                       
CONECT   15   13   73   74   75                                       
CONECT   16   13   76   77   78                                       
CONECT   17   12   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   20   79   17                                            
CONECT   20   19   21   28   80                                       
CONECT   21   20   22   81   82                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22   25   83                                       
CONECT   24   22   26   26   84                                       
CONECT   25   23   27   27   85                                       
CONECT   26   24   24   27   86                                       
CONECT   27   25   25   26   87                                       
CONECT   28   20   29   31   88                                       
CONECT   29   28   89                                                 
CONECT   30   31   32   90                                            
CONECT   31   28   30   41   91                                       
CONECT   32   30   33   92   93                                       
CONECT   33   32   34   34   36                                       
CONECT   34   33   33   35   94                                       
CONECT   35   34   38   38   95                                       
CONECT   36   33   37   37   96                                       
CONECT   37   36   36   38   97                                       
CONECT   38   35   35   37   39                                       
CONECT   39   38   40                                                 
CONECT   40   39   98   99  100                                       
CONECT   41   31   42   42   43                                       
CONECT   42   41   41                                                 
CONECT   43   44  101   41                                            
CONECT   44   43   45   47  102                                       
CONECT   45   44   46   46   50                                       
CONECT   46   45   45                                                 
CONECT   47   44   48   49  103                                       
CONECT   48   47  104  105  106                                       
CONECT   49   47  107  108  109                                       
CONECT   50   51  110   45                                            
CONECT   51   50   52  111  112                                       
CONECT   52   51   53   53   55                                       
CONECT   53   52   52   54   60                                       
CONECT   54   53   57   57  113                                       
CONECT   55   52   56   56  114                                       
CONECT   56   55   55   57  115                                       
CONECT   57   54   54   56   58                                       
CONECT   58   57   59                                                 
CONECT   59   58  116  117  118                                       
CONECT   60   53  119                                                 
CONECT   61    4                                                      
CONECT   62    4                                                      
CONECT   63    6                                                      
CONECT   64    7                                                      
CONECT   65    8                                                      
CONECT   66    9                                                      
CONECT   67   10                                                      
CONECT   68   11                                                      
CONECT   69   12                                                      
CONECT   70   14                                                      
CONECT   71   14                                                      
CONECT   72   14                                                      
CONECT   73   15                                                      
CONECT   74   15                                                      
CONECT   75   15                                                      
CONECT   76   16                                                      
CONECT   77   16                                                      
CONECT   78   16                                                      
CONECT   79   19                                                      
CONECT   80   20                                                      
CONECT   81   21                                                      
CONECT   82   21                                                      
CONECT   83   23                                                      
CONECT   84   24                                                      
CONECT   85   25                                                      
CONECT   86   26                                                      
CONECT   87   27                                                      
CONECT   88   28                                                      
CONECT   89   29                                                      
CONECT   90   30                                                      
CONECT   91   31                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   34                                                      
CONECT   95   35                                                      
CONECT   96   36                                                      
CONECT   97   37                                                      
CONECT   98   40                                                      
CONECT   99   40                                                      
CONECT  100   40                                                      
CONECT  101   43                                                      
CONECT  102   44                                                      
CONECT  103   47                                                      
CONECT  104   48                                                      
CONECT  105   48                                                      
CONECT  106   48                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   49                                                      
CONECT  110   50                                                      
CONECT  111   51                                                      
CONECT  112   51                                                      
CONECT  113   54                                                      
CONECT  114   55                                                      
CONECT  115   56                                                      
CONECT  116   59                                                      
CONECT  117   59                                                      
CONECT  118   59                                                      
CONECT  119   60                                                      
MASTER        0    0    0    0    0    0    0    0  119    0  119    0
END
