COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      13.088   1.395  -0.260  1.00  0.00           C  
HETATM    2  N   UNL     1      11.697   1.798  -0.486  1.00  0.00           N  
HETATM    3  C   UNL     1      14.026   2.399  -0.935  1.00  0.00           C  
HETATM    4  N   UNL     1       6.054  -0.493  -1.436  1.00  0.00           N  
HETATM    5  O   UNL     1      13.800   2.390  -2.346  1.00  0.00           O  
HETATM    6  C   UNL     1      15.477   2.005  -0.645  1.00  0.00           C  
HETATM    7  N   UNL     1       2.477  -2.985  -1.434  1.00  0.00           N  
HETATM    8  O   UNL     1      16.359   2.976  -1.211  1.00  0.00           O  
HETATM    9  C   UNL     1      15.685   1.944   0.872  1.00  0.00           C  
HETATM   10  N   UNL     1       2.805  -2.995  -2.678  1.00  0.00           N  
HETATM   11  O   UNL     1      15.477   3.240   1.435  1.00  0.00           O  
HETATM   12  C   UNL     1      14.682   0.957   1.477  1.00  0.00           C  
HETATM   13  N   UNL     1       3.595  -2.014  -2.938  1.00  0.00           N  
HETATM   14  O   UNL     1      13.354   1.365   1.143  1.00  0.00           O  
HETATM   15  C   UNL     1      14.843   0.935   2.998  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.453  -2.843   1.558  1.00  0.00           N  
HETATM   17  O   UNL     1      13.990  -0.069   3.553  1.00  0.00           O  
HETATM   18  C   UNL     1      10.743   0.861  -0.651  1.00  0.00           C  
HETATM   19  N   UNL     1      -2.756  -2.744   2.805  1.00  0.00           N  
HETATM   20  O   UNL     1      11.035  -0.315  -0.614  1.00  0.00           O  
HETATM   21  C   UNL     1       9.312   1.276  -0.883  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.543  -1.744   2.993  1.00  0.00           N  
HETATM   23  C   UNL     1       8.439   0.029  -1.039  1.00  0.00           C  
HETATM   24  N   UNL     1      -6.035  -0.362   1.413  1.00  0.00           N  
HETATM   25  C   UNL     1       7.009   0.444  -1.270  1.00  0.00           C  
HETATM   26  N   UNL     1     -11.701   1.834   0.378  1.00  0.00           N  
HETATM   27  O   UNL     1       6.717   1.620  -1.307  1.00  0.00           O  
HETATM   28  C   UNL     1       4.664  -0.090  -1.661  1.00  0.00           C  
HETATM   29  C   UNL     1       3.803  -1.318  -1.815  1.00  0.00           C  
HETATM   30  C   UNL     1       3.090  -1.933  -0.843  1.00  0.00           C  
HETATM   31  C   UNL     1       1.589  -3.943  -0.772  1.00  0.00           C  
HETATM   32  C   UNL     1       2.008  -4.140   0.702  1.00  0.00           C  
HETATM   33  O   UNL     1       0.766  -4.289   1.421  1.00  0.00           O  
HETATM   34  C   UNL     1      -0.136  -3.324   0.841  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.579  -3.859   0.965  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.002  -4.152  -0.491  1.00  0.00           C  
HETATM   37  C   UNL     1       0.153  -3.381  -0.689  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.762  -4.369  -1.198  1.00  0.00           O  
HETATM   39  C   UNL     1      -3.084  -1.851   0.888  1.00  0.00           C  
HETATM   40  C   UNL     1      -3.775  -1.150   1.817  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.641   0.059   1.573  1.00  0.00           C  
HETATM   42  O   UNL     1      -6.704   1.731   1.111  1.00  0.00           O  
HETATM   43  C   UNL     1      -6.994   0.556   1.184  1.00  0.00           C  
HETATM   44  C   UNL     1      -8.428   0.122   1.019  1.00  0.00           C  
HETATM   45  C   UNL     1      -9.307   1.350   0.772  1.00  0.00           C  
HETATM   46  O   UNL     1     -11.031  -0.259   0.680  1.00  0.00           O  
HETATM   47  C   UNL     1     -10.741   0.916   0.607  1.00  0.00           C  
HETATM   48  C   UNL     1     -13.094   1.413   0.218  1.00  0.00           C  
HETATM   49  O   UNL     1     -13.768   2.588   2.221  1.00  0.00           O  
HETATM   50  C   UNL     1     -14.021   2.473   0.819  1.00  0.00           C  
HETATM   51  O   UNL     1     -16.349   3.073   1.087  1.00  0.00           O  
HETATM   52  C   UNL     1     -15.477   2.054   0.594  1.00  0.00           C  
HETATM   53  O   UNL     1     -15.521   3.100  -1.586  1.00  0.00           O  
HETATM   54  C   UNL     1     -14.723   0.822  -1.441  1.00  0.00           C  
HETATM   55  O   UNL     1     -13.389   1.258  -1.172  1.00  0.00           O  
HETATM   56  C   UNL     1     -15.715   1.858  -0.906  1.00  0.00           C  
HETATM   57  O   UNL     1     -14.069  -0.384  -3.431  1.00  0.00           O  
HETATM   58  C   UNL     1     -14.913   0.664  -2.951  1.00  0.00           C  
HETATM   59  H   UNL     1     -11.469   2.774   0.320  1.00  0.00           H  
HETATM   60  H   UNL     1       3.023  -1.643   0.195  1.00  0.00           H  
HETATM   61  H   UNL     1       1.595  -4.896  -1.301  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.010  -2.326   1.260  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.598  -4.772   1.561  1.00  0.00           H  
HETATM   64  H   UNL     1       0.053  -2.411  -1.175  1.00  0.00           H  
HETATM   65  H   UNL     1       4.313   0.496  -0.812  1.00  0.00           H  
HETATM   66  H   UNL     1       4.602   0.512  -2.568  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.039  -1.654  -0.172  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.248   0.463   0.730  1.00  0.00           H  
HETATM   69  H   UNL     1     -12.862   2.846   2.437  1.00  0.00           H  
HETATM   70  H   UNL     1     -13.838   3.432   0.336  1.00  0.00           H  
HETATM   71  H   UNL     1     -16.248   3.254   2.032  1.00  0.00           H  
HETATM   72  H   UNL     1     -15.673   1.120   1.121  1.00  0.00           H  
HETATM   73  H   UNL     1     -16.114   3.805  -1.294  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.309   0.568   0.668  1.00  0.00           H  
HETATM   75  H   UNL     1     -15.954   0.418  -3.162  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.562   0.739   2.422  1.00  0.00           H  
HETATM   77  H   UNL     1     -14.653   1.598  -3.449  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.898  -0.136  -0.951  1.00  0.00           H  
HETATM   79  H   UNL     1     -16.733   1.507  -1.071  1.00  0.00           H  
HETATM   80  H   UNL     1     -14.138  -0.539  -4.383  1.00  0.00           H  
HETATM   81  H   UNL     1      -8.507  -0.558   0.171  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.760  -0.386   1.924  1.00  0.00           H  
HETATM   83  H   UNL     1       2.618  -5.037   0.806  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.229   2.030   1.620  1.00  0.00           H  
HETATM   85  H   UNL     1       2.552  -3.267   1.061  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.975   1.858  -0.133  1.00  0.00           H  
HETATM   87  H   UNL     1      15.879   0.711   3.251  1.00  0.00           H  
HETATM   88  H   UNL     1      14.571   1.909   3.406  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.624  -5.045  -0.533  1.00  0.00           H  
HETATM   90  H   UNL     1       8.962   1.862  -0.034  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.535  -3.298  -0.910  1.00  0.00           H  
HETATM   92  H   UNL     1       9.251   1.878  -1.790  1.00  0.00           H  
HETATM   93  H   UNL     1       8.790  -0.556  -1.888  1.00  0.00           H  
HETATM   94  H   UNL     1       8.500  -0.573  -0.132  1.00  0.00           H  
HETATM   95  H   UNL     1      13.252   0.404  -0.683  1.00  0.00           H  
HETATM   96  H   UNL     1      13.834   3.398  -0.542  1.00  0.00           H  
HETATM   97  H   UNL     1      15.684   1.027  -1.081  1.00  0.00           H  
HETATM   98  H   UNL     1      16.700   1.611   1.087  1.00  0.00           H  
HETATM   99  H   UNL     1      14.867  -0.040   1.077  1.00  0.00           H  
HETATM  100  H   UNL     1      11.464   2.739  -0.515  1.00  0.00           H  
HETATM  101  H   UNL     1       6.287  -1.434  -1.407  1.00  0.00           H  
HETATM  102  H   UNL     1      -6.267  -1.302   1.472  1.00  0.00           H  
HETATM  103  H   UNL     1      12.898   2.627  -2.602  1.00  0.00           H  
HETATM  104  H   UNL     1      16.276   3.072  -2.169  1.00  0.00           H  
HETATM  105  H   UNL     1      16.076   3.918   1.092  1.00  0.00           H  
HETATM  106  H   UNL     1      14.040  -0.139   4.516  1.00  0.00           H  
CONECT    1   14    2   95    3                                       
CONECT    2    1   18  100                                            
CONECT    3    1   96    6    5                                       
CONECT    4   28  101   25                                            
CONECT    5    3  103                                                 
CONECT    6    3    9   97    8                                       
CONECT    7   10   31   30                                            
CONECT    8    6  104                                                 
CONECT    9    6   12   11   98                                       
CONECT   10    7   13   13                                            
CONECT   11    9  105                                                 
CONECT   12    9   15   14   99                                       
CONECT   13   10   10   29                                            
CONECT   14    1   12                                                 
CONECT   15   12   17   87   88                                       
CONECT   16   39   19   35                                            
CONECT   17   15  106                                                 
CONECT   18    2   20   20   21                                       
CONECT   19   16   22   22                                            
CONECT   20   18   18                                                 
CONECT   21   18   23   90   92                                       
CONECT   22   19   19   40                                            
CONECT   23   21   25   94   93                                       
CONECT   24   43   41  102                                            
CONECT   25    4   23   27   27                                       
CONECT   26   48   59   47                                            
CONECT   27   25   25                                                 
CONECT   28    4   66   29   65                                       
CONECT   29   13   28   30   30                                       
CONECT   30    7   29   29   60                                       
CONECT   31    7   37   32   61                                       
CONECT   32   31   33   85   83                                       
CONECT   33   32   34                                                 
CONECT   34   33   62   35   37                                       
CONECT   35   16   34   63   36                                       
CONECT   36   35   91   89   38                                       
CONECT   37   31   34   64   38                                       
CONECT   38   36   37                                                 
CONECT   39   16   40   40   67                                       
CONECT   40   22   39   39   41                                       
CONECT   41   24   40   76   74                                       
CONECT   42   43   43                                                 
CONECT   43   24   42   42   44                                       
CONECT   44   43   82   45   81                                       
CONECT   45   44   84   47   86                                       
CONECT   46   47   47                                                 
CONECT   47   26   45   46   46                                       
CONECT   48   26   50   55   68                                       
CONECT   49   69   50                                                 
CONECT   50   48   49   70   52                                       
CONECT   51   71   52                                                 
CONECT   52   50   51   72   56                                       
CONECT   53   73   56                                                 
CONECT   54   56   55   58   78                                       
CONECT   55   48   54                                                 
CONECT   56   52   53   54   79                                       
CONECT   57   58   80                                                 
CONECT   58   54   57   75   77                                       
CONECT   59   26                                                      
CONECT   60   30                                                      
CONECT   61   31                                                      
CONECT   62   34                                                      
CONECT   63   35                                                      
CONECT   64   37                                                      
CONECT   65   28                                                      
CONECT   66   28                                                      
CONECT   67   39                                                      
CONECT   68   48                                                      
CONECT   69   49                                                      
CONECT   70   50                                                      
CONECT   71   51                                                      
CONECT   72   52                                                      
CONECT   73   53                                                      
CONECT   74   41                                                      
CONECT   75   58                                                      
CONECT   76   41                                                      
CONECT   77   58                                                      
CONECT   78   54                                                      
CONECT   79   56                                                      
CONECT   80   57                                                      
CONECT   81   44                                                      
CONECT   82   44                                                      
CONECT   83   32                                                      
CONECT   84   45                                                      
CONECT   85   32                                                      
CONECT   86   45                                                      
CONECT   87   15                                                      
CONECT   88   15                                                      
CONECT   89   36                                                      
CONECT   90   21                                                      
CONECT   91   36                                                      
CONECT   92   21                                                      
CONECT   93   23                                                      
CONECT   94   23                                                      
CONECT   95    1                                                      
CONECT   96    3                                                      
CONECT   97    6                                                      
CONECT   98    9                                                      
CONECT   99   12                                                      
CONECT  100    2                                                      
CONECT  101    4                                                      
CONECT  102   24                                                      
CONECT  103    5                                                      
CONECT  104    8                                                      
CONECT  105   11                                                      
CONECT  106   17                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
