COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.788  -1.199   3.735  1.00  0.00           C  
HETATM    2  C   UNL     1       7.708  -0.809  -2.237  1.00  0.00           C  
HETATM    3  C   UNL     1       7.956  -2.724   0.271  1.00  0.00           C  
HETATM    4  C   UNL     1       9.198  -3.523  -0.129  1.00  0.00           C  
HETATM    5  C   UNL     1       3.888   2.877   1.405  1.00  0.00           C  
HETATM    6  C   UNL     1       2.109   3.997   0.433  1.00  0.00           C  
HETATM    7  C   UNL     1       5.358  -1.632   0.174  1.00  0.00           C  
HETATM    8  C   UNL     1       5.762  -0.183   0.262  1.00  0.00           C  
HETATM    9  C   UNL     1       4.612   0.632   0.859  1.00  0.00           C  
HETATM   10  C   UNL     1       6.167   2.199   1.859  1.00  0.00           C  
HETATM   11  C   UNL     1       7.363   1.431   1.291  1.00  0.00           C  
HETATM   12  C   UNL     1       6.996  -0.050   1.159  1.00  0.00           C  
HETATM   13  C   UNL     1       9.865  -0.780   1.472  1.00  0.00           C  
HETATM   14  C   UNL     1       9.568  -1.347   2.862  1.00  0.00           C  
HETATM   15  C   UNL     1       8.743  -0.283  -1.240  1.00  0.00           C  
HETATM   16  C   UNL     1       8.087  -0.375  -3.630  1.00  0.00           C  
HETATM   17  C   UNL     1       8.840  -4.982  -0.249  1.00  0.00           C  
HETATM   18  C   UNL     1       1.278   4.099  -0.847  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.988  -0.675  -2.065  1.00  0.00           C  
HETATM   20  C   UNL     1      -5.830  -1.184  -0.894  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.625  -0.698   0.452  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.153  -1.800  -0.497  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.944  -2.127  -1.401  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.892   1.443   0.025  1.00  0.00           C  
HETATM   25  C   UNL     1     -10.386   1.394   1.596  1.00  0.00           C  
HETATM   26  C   UNL     1     -11.434   1.594   2.511  1.00  0.00           C  
HETATM   27  C   UNL     1     -10.874  -0.398   3.535  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.608   0.231   1.722  1.00  0.00           C  
HETATM   29  C   UNL     1       3.279   5.020   0.417  1.00  0.00           C  
HETATM   30  C   UNL     1       4.297   4.362   1.380  1.00  0.00           C  
HETATM   31  N   UNL     1       4.991  -2.158  -1.012  1.00  0.00           N  
HETATM   32  N   UNL     1       5.013   2.041   0.965  1.00  0.00           N  
HETATM   33  N   UNL     1      -8.671   0.292   0.722  1.00  0.00           N  
HETATM   34  N   UNL     1      -9.899   2.088   0.540  1.00  0.00           N  
HETATM   35  N   UNL     1     -12.238   2.717   2.433  1.00  0.00           N  
HETATM   36  N   UNL     1     -11.635   0.678   3.453  1.00  0.00           N  
HETATM   37  N   UNL     1      -9.887  -0.630   2.696  1.00  0.00           N  
HETATM   38  O   UNL     1       5.363  -2.325   1.169  1.00  0.00           O  
HETATM   39  O   UNL     1      10.759  -1.631   5.005  1.00  0.00           O  
HETATM   40  O   UNL     1      11.792  -0.696   3.290  1.00  0.00           O  
HETATM   41  O   UNL     1       9.082   0.287  -3.807  1.00  0.00           O  
HETATM   42  O   UNL     1       7.319  -0.725  -4.674  1.00  0.00           O  
HETATM   43  O   UNL     1       9.779  -5.878  -0.592  1.00  0.00           O  
HETATM   44  O   UNL     1       7.708  -5.345  -0.035  1.00  0.00           O  
HETATM   45  O   UNL     1       2.780   2.720   0.503  1.00  0.00           O  
HETATM   46  O   UNL     1       0.204   3.158  -0.794  1.00  0.00           O  
HETATM   47  O   UNL     1      -0.171   2.727  -3.253  1.00  0.00           O  
HETATM   48  O   UNL     1      -1.739   4.342  -2.111  1.00  0.00           O  
HETATM   49  O   UNL     1      -1.854   1.758  -1.641  1.00  0.00           O  
HETATM   50  O   UNL     1      -3.522   1.662  -3.533  1.00  0.00           O  
HETATM   51  O   UNL     1      -1.960  -0.303  -3.270  1.00  0.00           O  
HETATM   52  O   UNL     1      -3.916   0.129  -1.568  1.00  0.00           O  
HETATM   53  O   UNL     1      -6.529  -0.088  -0.264  1.00  0.00           O  
HETATM   54  O   UNL     1      -8.549  -2.954   0.247  1.00  0.00           O  
HETATM   55  O   UNL     1     -10.164  -4.756   1.275  1.00  0.00           O  
HETATM   56  O   UNL     1     -10.999  -2.469   0.608  1.00  0.00           O  
HETATM   57  O   UNL     1     -10.399  -4.068  -1.252  1.00  0.00           O  
HETATM   58  O   UNL     1      -6.554  -3.493  -1.243  1.00  0.00           O  
HETATM   59  O   UNL     1       2.852   6.290   0.914  1.00  0.00           O  
HETATM   60  O   UNL     1       4.191   4.932   2.686  1.00  0.00           O  
HETATM   61  P   UNL     1       8.390  -0.959   0.415  1.00  0.00           P1+
HETATM   62  P   UNL     1      -0.874   2.990  -1.978  1.00  0.00           P  
HETATM   63  P   UNL     1      -2.828   0.830  -2.525  1.00  0.00           P  
HETATM   64  P   UNL     1     -10.049  -3.538   0.228  1.00  0.00           P  
HETATM   65  H   UNL     1       7.681  -1.898  -2.191  1.00  0.00           H  
HETATM   66  H   UNL     1       6.726  -0.410  -1.987  1.00  0.00           H  
HETATM   67  H   UNL     1       7.184  -2.848  -0.488  1.00  0.00           H  
HETATM   68  H   UNL     1       7.585  -3.086   1.230  1.00  0.00           H  
HETATM   69  H   UNL     1       9.570  -3.161  -1.088  1.00  0.00           H  
HETATM   70  H   UNL     1       9.970  -3.399   0.630  1.00  0.00           H  
HETATM   71  H   UNL     1       3.587   2.592   2.414  1.00  0.00           H  
HETATM   72  H   UNL     1       1.481   4.148   1.311  1.00  0.00           H  
HETATM   73  H   UNL     1       5.994   0.192  -0.735  1.00  0.00           H  
HETATM   74  H   UNL     1       3.737   0.551   0.216  1.00  0.00           H  
HETATM   75  H   UNL     1       4.372   0.248   1.851  1.00  0.00           H  
HETATM   76  H   UNL     1       5.919   1.807   2.846  1.00  0.00           H  
HETATM   77  H   UNL     1       6.421   3.256   1.941  1.00  0.00           H  
HETATM   78  H   UNL     1       7.620   1.831   0.311  1.00  0.00           H  
HETATM   79  H   UNL     1       8.215   1.536   1.963  1.00  0.00           H  
HETATM   80  H   UNL     1       6.776  -0.460   2.144  1.00  0.00           H  
HETATM   81  H   UNL     1      10.124   0.275   1.558  1.00  0.00           H  
HETATM   82  H   UNL     1      10.698  -1.323   1.027  1.00  0.00           H  
HETATM   83  H   UNL     1       9.309  -2.402   2.775  1.00  0.00           H  
HETATM   84  H   UNL     1       8.735  -0.804   3.306  1.00  0.00           H  
HETATM   85  H   UNL     1       9.740  -0.592  -1.554  1.00  0.00           H  
HETATM   86  H   UNL     1       8.693   0.806  -1.207  1.00  0.00           H  
HETATM   87  H   UNL     1       0.873   5.107  -0.938  1.00  0.00           H  
HETATM   88  H   UNL     1       1.909   3.882  -1.709  1.00  0.00           H  
HETATM   89  H   UNL     1      -4.580  -1.524  -2.615  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.612  -0.078  -2.730  1.00  0.00           H  
HETATM   91  H   UNL     1      -5.199  -1.698  -0.169  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.271  -1.138   1.384  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.985  -1.425  -1.093  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.178  -1.914  -2.444  1.00  0.00           H  
HETATM   95  H   UNL     1      -8.314   1.773  -0.826  1.00  0.00           H  
HETATM   96  H   UNL     1     -11.073  -1.117   4.315  1.00  0.00           H  
HETATM   97  H   UNL     1       3.698   5.116  -0.584  1.00  0.00           H  
HETATM   98  H   UNL     1       5.311   4.472   0.996  1.00  0.00           H  
HETATM   99  H   UNL     1       4.731  -3.091  -1.069  1.00  0.00           H  
HETATM  100  H   UNL     1       4.986  -1.604  -1.808  1.00  0.00           H  
HETATM  101  H   UNL     1     -12.081   3.379   1.740  1.00  0.00           H  
HETATM  102  H   UNL     1     -12.958   2.844   3.070  1.00  0.00           H  
HETATM  103  H   UNL     1      11.565  -1.514   5.527  1.00  0.00           H  
HETATM  104  H   UNL     1       7.602  -0.423  -5.548  1.00  0.00           H  
HETATM  105  H   UNL     1       9.502  -6.802  -0.656  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.228   4.577  -1.310  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.477  -0.887  -2.669  1.00  0.00           H  
HETATM  108  H   UNL     1     -11.043  -5.157   1.316  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.815  -4.771  -1.566  1.00  0.00           H  
HETATM  110  H   UNL     1      -5.799  -3.752  -1.788  1.00  0.00           H  
HETATM  111  H   UNL     1       3.547   6.962   0.923  1.00  0.00           H  
HETATM  112  H   UNL     1       4.381   5.880   2.718  1.00  0.00           H  
CONECT    1   40   40   14   39                                       
CONECT    2   16   15   65   66                                       
CONECT    3   61    4   67   68                                       
CONECT    4    3   17   69   70                                       
CONECT    5   30   45   32   71                                       
CONECT    6   29   18   45   72                                       
CONECT    7   31    8   38   38                                       
CONECT    8    9    7   12   73                                       
CONECT    9   32    8   74   75                                       
CONECT   10   32   11   76   77                                       
CONECT   11   10   12   78   79                                       
CONECT   12    8   61   11   80                                       
CONECT   13   14   61   81   82                                       
CONECT   14    1   13   83   84                                       
CONECT   15    2   61   85   86                                       
CONECT   16   41   41   42    2                                       
CONECT   17    4   44   44   43                                       
CONECT   18    6   46   87   88                                       
CONECT   19   20   52   89   90                                       
CONECT   20   23   53   19   91                                       
CONECT   21   33   22   53   92                                       
CONECT   22   54   21   23   93                                       
CONECT   23   22   58   20   94                                       
CONECT   24   34   34   33   95                                       
CONECT   25   26   34   28   28                                       
CONECT   26   35   36   36   25                                       
CONECT   27   36   37   37   96                                       
CONECT   28   25   25   37   33                                       
CONECT   29   59    6   30   97                                       
CONECT   30   29   60    5   98                                       
CONECT   31    7   99  100                                            
CONECT   32    5    9   10                                            
CONECT   33   28   24   21                                            
CONECT   34   25   24   24                                            
CONECT   35   26  101  102                                            
CONECT   36   26   26   27                                            
CONECT   37   27   27   28                                            
CONECT   38    7    7                                                 
CONECT   39    1  103                                                 
CONECT   40    1    1                                                 
CONECT   41   16   16                                                 
CONECT   42   16  104                                                 
CONECT   43   17  105                                                 
CONECT   44   17   17                                                 
CONECT   45    6    5                                                 
CONECT   46   18   62                                                 
CONECT   47   62   62                                                 
CONECT   48   62  106                                                 
CONECT   49   63   62                                                 
CONECT   50   63   63                                                 
CONECT   51   63  107                                                 
CONECT   52   19   63                                                 
CONECT   53   21   20                                                 
CONECT   54   64   22                                                 
CONECT   55   64  108                                                 
CONECT   56   64   64                                                 
CONECT   57   64  109                                                 
CONECT   58   23  110                                                 
CONECT   59   29  111                                                 
CONECT   60   30  112                                                 
CONECT   61   15   13   12    3                                       
CONECT   62   49   46   47   47                                       
CONECT   62   48                                                      
CONECT   63   50   50   52   49                                       
CONECT   63   51                                                      
CONECT   64   56   56   55   57                                       
CONECT   64   54                                                      
CONECT   65    2                                                      
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    3                                                      
CONECT   69    4                                                      
CONECT   70    4                                                      
CONECT   71    5                                                      
CONECT   72    6                                                      
CONECT   73    8                                                      
CONECT   74    9                                                      
CONECT   75    9                                                      
CONECT   76   10                                                      
CONECT   77   10                                                      
CONECT   78   11                                                      
CONECT   79   11                                                      
CONECT   80   12                                                      
CONECT   81   13                                                      
CONECT   82   13                                                      
CONECT   83   14                                                      
CONECT   84   14                                                      
CONECT   85   15                                                      
CONECT   86   15                                                      
CONECT   87   18                                                      
CONECT   88   18                                                      
CONECT   89   19                                                      
CONECT   90   19                                                      
CONECT   91   20                                                      
CONECT   92   21                                                      
CONECT   93   22                                                      
CONECT   94   23                                                      
CONECT   95   24                                                      
CONECT   96   27                                                      
CONECT   97   29                                                      
CONECT   98   30                                                      
CONECT   99   31                                                      
CONECT  100   31                                                      
CONECT  101   35                                                      
CONECT  102   35                                                      
CONECT  103   39                                                      
CONECT  104   42                                                      
CONECT  105   43                                                      
CONECT  106   48                                                      
CONECT  107   51                                                      
CONECT  108   55                                                      
CONECT  109   57                                                      
CONECT  110   58                                                      
CONECT  111   59                                                      
CONECT  112   60                                                      
MASTER        0    0    0    0    0    0    0    0  112    0  112    0
END
