COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.950  -1.645  -3.327  1.00  0.00           C  
HETATM    2  O   UNL     1       5.963  -2.335  -3.364  1.00  0.00           O  
HETATM    3  O   UNL     1       4.894  -0.330  -3.693  1.00  0.00           O  
HETATM    4  C   UNL     1       6.125   0.246  -4.146  1.00  0.00           C  
HETATM    5  C   UNL     1       5.908   1.715  -4.519  1.00  0.00           C  
HETATM    6  C   UNL     1       5.430   2.531  -3.316  1.00  0.00           C  
HETATM    7  C   UNL     1       7.190   2.314  -5.091  1.00  0.00           C  
HETATM    8  N   UNL     1       3.701  -2.071  -2.914  1.00  0.00           N  
HETATM    9  C   UNL     1       3.418  -3.408  -2.463  1.00  0.00           C  
HETATM   10  C   UNL     1       2.281  -3.421  -1.443  1.00  0.00           C  
HETATM   11  C   UNL     1       1.968  -4.857  -0.999  1.00  0.00           C  
HETATM   12  C   UNL     1       2.625  -2.538  -0.236  1.00  0.00           C  
HETATM   13  C   UNL     1       0.870  -4.892   0.061  1.00  0.00           C  
HETATM   14  C   UNL     1       1.525  -2.577   0.822  1.00  0.00           C  
HETATM   15  C   UNL     1       1.211  -4.006   1.255  1.00  0.00           C  
HETATM   16  C   UNL     1       3.066  -4.250  -3.681  1.00  0.00           C  
HETATM   17  O   UNL     1       2.078  -4.039  -4.381  1.00  0.00           O  
HETATM   18  N   UNL     1       4.014  -5.233  -3.920  1.00  0.00           N  
HETATM   19  C   UNL     1       4.437  -5.730  -6.251  1.00  0.00           C  
HETATM   20  O   UNL     1       4.402  -6.479  -7.230  1.00  0.00           O  
HETATM   21  C   UNL     1       3.194  -7.306  -4.722  1.00  0.00           C  
HETATM   22  C   UNL     1       4.147  -8.337  -4.220  1.00  0.00           C  
HETATM   23  C   UNL     1       3.623  -9.690  -3.851  1.00  0.00           C  
HETATM   24  C   UNL     1       4.460  -9.518  -5.084  1.00  0.00           C  
HETATM   25  N   UNL     1       5.039  -4.476  -6.280  1.00  0.00           N  
HETATM   26  C   UNL     1       5.677  -3.943  -7.460  1.00  0.00           C  
HETATM   27  C   UNL     1       4.925  -2.679  -7.911  1.00  0.00           C  
HETATM   28  C   UNL     1       3.459  -2.906  -8.121  1.00  0.00           C  
HETATM   29  C   UNL     1       2.608  -1.755  -8.545  1.00  0.00           C  
HETATM   30  C   UNL     1       2.493  -2.305  -7.154  1.00  0.00           C  
HETATM   31  O   UNL     1       7.358  -2.667  -6.239  1.00  0.00           O  
HETATM   32  C   UNL     1       7.176  -3.702  -7.194  1.00  0.00           C  
HETATM   33  O   UNL     1       7.976  -5.252  -5.517  1.00  0.00           O  
HETATM   34  C   UNL     1       8.179  -8.092  -7.565  1.00  0.00           C  
HETATM   35  N   UNL     1       8.829  -9.302  -7.361  1.00  0.00           N  
HETATM   36  CA  UNL     1       8.145 -10.575  -7.336  1.00  0.00           C  
HETATM   37  C   UNL     1       8.031 -11.188  -8.718  1.00  0.00           C  
HETATM   38  C   UNL     1       9.033 -10.953  -9.642  1.00  0.00           C  
HETATM   39  C   UNL     1       6.930 -11.967  -9.020  1.00  0.00           C  
HETATM   40  C   UNL     1       8.929 -11.517 -10.913  1.00  0.00           C  
HETATM   41  C   UNL     1       6.826 -12.531 -10.291  1.00  0.00           C  
HETATM   42  C   UNL     1       7.825 -12.306 -11.238  1.00  0.00           C  
HETATM   43  C   UNL     1       8.875 -11.507  -6.385  1.00  0.00           C  
HETATM   44  OXT UNL     1       9.980 -10.923  -5.845  1.00  0.00           O  
HETATM   45  O   UNL     1       8.532 -12.645  -6.095  1.00  0.00           O  
HETATM   46  N   UNL     1       3.878  -6.063  -5.019  1.00  0.00           N  
HETATM   47  N   UNL     1       8.432  -5.700  -7.748  1.00  0.00           N  
HETATM   48  C   UNL     1       9.147  -6.937  -7.536  1.00  0.00           C  
HETATM   49  O   UNL     1       6.972  -7.958  -7.745  1.00  0.00           O  
HETATM   50  C   UNL     1       7.901  -4.955  -6.707  1.00  0.00           C  
HETATM   51  H   UNL     1       6.466  -0.326  -5.015  1.00  0.00           H  
HETATM   52  H   UNL     1       6.869   0.146  -3.349  1.00  0.00           H  
HETATM   53  H   UNL     1       5.122   1.768  -5.284  1.00  0.00           H  
HETATM   54  H   UNL     1       5.277   3.579  -3.595  1.00  0.00           H  
HETATM   55  H   UNL     1       6.162   2.502  -2.501  1.00  0.00           H  
HETATM   56  H   UNL     1       4.479   2.149  -2.930  1.00  0.00           H  
HETATM   57  H   UNL     1       7.034   3.356  -5.389  1.00  0.00           H  
HETATM   58  H   UNL     1       7.517   1.759  -5.977  1.00  0.00           H  
HETATM   59  H   UNL     1       8.003   2.290  -4.357  1.00  0.00           H  
HETATM   60  H   UNL     1       2.937  -1.399  -2.930  1.00  0.00           H  
HETATM   61  H   UNL     1       4.338  -3.791  -2.007  1.00  0.00           H  
HETATM   62  H   UNL     1       1.391  -3.008  -1.935  1.00  0.00           H  
HETATM   63  H   UNL     1       2.875  -5.327  -0.596  1.00  0.00           H  
HETATM   64  H   UNL     1       1.658  -5.455  -1.864  1.00  0.00           H  
HETATM   65  H   UNL     1       2.776  -1.503  -0.564  1.00  0.00           H  
HETATM   66  H   UNL     1       3.570  -2.871   0.211  1.00  0.00           H  
HETATM   67  H   UNL     1       0.717  -5.923   0.399  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.076  -4.557  -0.383  1.00  0.00           H  
HETATM   69  H   UNL     1       0.617  -2.109   0.423  1.00  0.00           H  
HETATM   70  H   UNL     1       1.832  -1.987   1.694  1.00  0.00           H  
HETATM   71  H   UNL     1       0.374  -4.001   1.963  1.00  0.00           H  
HETATM   72  H   UNL     1       2.075  -4.425   1.785  1.00  0.00           H  
HETATM   73  H   UNL     1       4.804  -5.343  -3.292  1.00  0.00           H  
HETATM   74  H   UNL     1       2.427  -7.094  -3.972  1.00  0.00           H  
HETATM   75  H   UNL     1       2.705  -7.644  -5.641  1.00  0.00           H  
HETATM   76  H   UNL     1       4.936  -7.905  -3.624  1.00  0.00           H  
HETATM   77  H   UNL     1       2.563  -9.870  -3.982  1.00  0.00           H  
HETATM   78  H   UNL     1       4.066 -10.211  -3.010  1.00  0.00           H  
HETATM   79  H   UNL     1       5.464  -9.924  -5.071  1.00  0.00           H  
HETATM   80  H   UNL     1       3.962  -9.583  -6.044  1.00  0.00           H  
HETATM   81  H   UNL     1       5.030  -3.913  -5.435  1.00  0.00           H  
HETATM   82  H   UNL     1       5.562  -4.716  -8.229  1.00  0.00           H  
HETATM   83  H   UNL     1       5.351  -2.329  -8.861  1.00  0.00           H  
HETATM   84  H   UNL     1       5.070  -1.862  -7.194  1.00  0.00           H  
HETATM   85  H   UNL     1       3.260  -3.884  -8.524  1.00  0.00           H  
HETATM   86  H   UNL     1       1.800  -1.961  -9.237  1.00  0.00           H  
HETATM   87  H   UNL     1       3.062  -0.779  -8.664  1.00  0.00           H  
HETATM   88  H   UNL     1       2.871  -1.698  -6.340  1.00  0.00           H  
HETATM   89  H   UNL     1       1.609  -2.881  -6.911  1.00  0.00           H  
HETATM   90  H   UNL     1       6.536  -2.611  -5.724  1.00  0.00           H  
HETATM   91  H   UNL     1       7.675  -3.377  -8.113  1.00  0.00           H  
HETATM   92  H   UNL     1       9.835  -9.292  -7.222  1.00  0.00           H  
HETATM   93  HA  UNL     1       7.137 -10.420  -6.931  1.00  0.00           H  
HETATM   94  H   UNL     1       9.896 -10.340  -9.398  1.00  0.00           H  
HETATM   95  H   UNL     1       6.146 -12.147  -8.289  1.00  0.00           H  
HETATM   96  H   UNL     1       9.707 -11.342 -11.650  1.00  0.00           H  
HETATM   97  H   UNL     1       5.967 -13.145 -10.544  1.00  0.00           H  
HETATM   98  H   UNL     1       7.744 -12.746 -12.228  1.00  0.00           H  
HETATM   99  HXT UNL     1      10.477 -11.480  -5.210  1.00  0.00           H  
HETATM  100  H   UNL     1       8.312  -5.364  -8.699  1.00  0.00           H  
HETATM  101  H   UNL     1       9.648  -6.901  -6.564  1.00  0.00           H  
HETATM  102  H   UNL     1       9.895  -7.059  -8.325  1.00  0.00           H  
CONECT    1    8    3    2    2                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   51   52                                       
CONECT    5    4    6    7   53                                       
CONECT    6    5   54   55   56                                       
CONECT    7    5   57   58   59                                       
CONECT    8    1    9   60                                            
CONECT    9    8   10   16   61                                       
CONECT   10    9   12   11   62                                       
CONECT   11   10   13   63   64                                       
CONECT   12   10   14   65   66                                       
CONECT   13   11   15   67   68                                       
CONECT   14   12   15   69   70                                       
CONECT   15   13   14   71   72                                       
CONECT   16    9   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   46   73                                            
CONECT   19   20   20   46   25                                       
CONECT   20   19   19                                                 
CONECT   21   46   22   74   75                                       
CONECT   22   21   23   24   76                                       
CONECT   23   22   24   77   78                                       
CONECT   24   22   23   79   80                                       
CONECT   25   19   26   81                                            
CONECT   26   25   27   32   82                                       
CONECT   27   26   28   83   84                                       
CONECT   28   27   29   30   85                                       
CONECT   29   28   30   86   87                                       
CONECT   30   28   29   88   89                                       
CONECT   31   32   90                                                 
CONECT   32   26   31   50   91                                       
CONECT   33   50   50                                                 
CONECT   34   49   49   35   48                                       
CONECT   35   34   36   92                                            
CONECT   36   35   37   43   93                                       
CONECT   37   36   39   39   38                                       
CONECT   38   37   40   40   94                                       
CONECT   39   37   37   41   95                                       
CONECT   40   38   38   42   96                                       
CONECT   41   39   42   42   97                                       
CONECT   42   40   41   41   98                                       
CONECT   43   36   45   45   44                                       
CONECT   44   43   99                                                 
CONECT   45   43   43                                                 
CONECT   46   18   19   21                                            
CONECT   47   48   50  100                                            
CONECT   48   34   47  101  102                                       
CONECT   49   34   34                                                 
CONECT   50   32   33   33   47                                       
CONECT   51    4                                                      
CONECT   52    4                                                      
CONECT   53    5                                                      
CONECT   54    6                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   14                                                      
CONECT   70   14                                                      
CONECT   71   15                                                      
CONECT   72   15                                                      
CONECT   73   18                                                      
CONECT   74   21                                                      
CONECT   75   21                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   23                                                      
CONECT   79   24                                                      
CONECT   80   24                                                      
CONECT   81   25                                                      
CONECT   82   26                                                      
CONECT   83   27                                                      
CONECT   84   27                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   30                                                      
CONECT   89   30                                                      
CONECT   90   31                                                      
CONECT   91   32                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   38                                                      
CONECT   95   39                                                      
CONECT   96   40                                                      
CONECT   97   41                                                      
CONECT   98   42                                                      
CONECT   99   44                                                      
CONECT  100   47                                                      
CONECT  101   48                                                      
CONECT  102   48                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
