COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.665   5.191  -0.446  1.00  0.00           C  
HETATM    2  C   UNL     1      -7.574   5.787  -1.715  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.545   7.190  -1.789  1.00  0.00           C  
HETATM    4  C   UNL     1      -7.591   3.639  -2.010  1.00  0.00           C  
HETATM    5  N   UNL     1      -7.605   7.885  -0.658  1.00  0.00           N  
HETATM    6  N   UNL     1      -7.716   5.969   0.631  1.00  0.00           N  
HETATM    7  C   UNL     1      16.796   3.494  -0.990  1.00  0.00           C  
HETATM    8  C   UNL     1      17.982   4.063  -0.582  1.00  0.00           C  
HETATM    9  C   UNL     1      18.395   3.942   0.740  1.00  0.00           C  
HETATM   10  O   UNL     1      19.564   4.505   1.137  1.00  0.00           O  
HETATM   11  C   UNL     1      17.614   3.246   1.656  1.00  0.00           C  
HETATM   12  C   UNL     1      16.427   2.673   1.258  1.00  0.00           C  
HETATM   13  C   UNL     1      16.007   2.792  -0.072  1.00  0.00           C  
HETATM   14  C   UNL     1      14.738   2.188  -0.501  1.00  0.00           C  
HETATM   15  C   UNL     1      13.978   1.511   0.386  1.00  0.00           C  
HETATM   16  C   UNL     1      12.715   0.910  -0.041  1.00  0.00           C  
HETATM   17  O   UNL     1      12.349   1.019  -1.197  1.00  0.00           O  
HETATM   18  S   UNL     1      11.724   0.027   1.118  1.00  0.00           S  
HETATM   19  C   UNL     1      10.349  -0.462   0.047  1.00  0.00           C  
HETATM   20  C   UNL     1       9.330  -1.265   0.859  1.00  0.00           C  
HETATM   21  N   UNL     1       8.217  -1.660  -0.008  1.00  0.00           N  
HETATM   22  C   UNL     1       7.195  -2.380   0.494  1.00  0.00           C  
HETATM   23  O   UNL     1       7.196  -2.701   1.664  1.00  0.00           O  
HETATM   24  C   UNL     1       6.050  -2.787  -0.397  1.00  0.00           C  
HETATM   25  C   UNL     1       5.032  -3.590   0.414  1.00  0.00           C  
HETATM   26  N   UNL     1       3.919  -3.985  -0.452  1.00  0.00           N  
HETATM   27  C   UNL     1       2.896  -4.705   0.050  1.00  0.00           C  
HETATM   28  O   UNL     1       2.941  -5.106   1.194  1.00  0.00           O  
HETATM   29  C   UNL     1       1.698  -5.013  -0.810  1.00  0.00           C  
HETATM   30  O   UNL     1       1.989  -4.683  -2.169  1.00  0.00           O  
HETATM   31  C   UNL     1       0.501  -4.189  -0.330  1.00  0.00           C  
HETATM   32  C   UNL     1       0.095  -4.647   1.072  1.00  0.00           C  
HETATM   33  C   UNL     1       0.884  -2.708  -0.293  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.673  -4.388  -1.291  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.791  -3.618  -0.844  1.00  0.00           O  
HETATM   36  P   UNL     1      -3.202  -3.589  -1.618  1.00  0.00           P  
HETATM   37  O   UNL     1      -3.005  -2.917  -3.067  1.00  0.00           O  
HETATM   38  O   UNL     1      -3.704  -4.972  -1.779  1.00  0.00           O  
HETATM   39  O   UNL     1      -4.264  -2.729  -0.766  1.00  0.00           O  
HETATM   40  P   UNL     1      -5.871  -2.644  -0.742  1.00  0.00           P  
HETATM   41  O   UNL     1      -6.460  -3.874   0.113  1.00  0.00           O  
HETATM   42  O   UNL     1      -6.390  -2.712  -2.126  1.00  0.00           O  
HETATM   43  O   UNL     1      -6.325  -1.254  -0.066  1.00  0.00           O  
HETATM   44  C   UNL     1      -7.688  -0.834   0.009  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.766   0.525   0.708  1.00  0.00           C  
HETATM   46  O   UNL     1      -7.204   1.556  -0.133  1.00  0.00           O  
HETATM   47  C   UNL     1      -9.239   0.941   0.912  1.00  0.00           C  
HETATM   48  O   UNL     1      -9.666   0.636   2.241  1.00  0.00           O  
HETATM   49  P   UNL     1     -10.889  -0.362   2.562  1.00  0.00           P  
HETATM   50  O   UNL     1     -11.173  -0.369   4.147  1.00  0.00           O  
HETATM   51  O   UNL     1     -12.100   0.096   1.846  1.00  0.00           O  
HETATM   52  O   UNL     1     -10.509  -1.849   2.079  1.00  0.00           O  
HETATM   53  C   UNL     1      -9.233   2.468   0.680  1.00  0.00           C  
HETATM   54  O   UNL     1      -9.658   3.156   1.858  1.00  0.00           O  
HETATM   55  C   UNL     1      -7.757   2.794   0.362  1.00  0.00           C  
HETATM   56  N   UNL     1      -7.674   3.837  -0.664  1.00  0.00           N  
HETATM   57  N   UNL     1      -7.533   4.784  -2.625  1.00  0.00           N  
HETATM   58  C   UNL     1      -7.690   7.280   0.513  1.00  0.00           C  
HETATM   59  N   UNL     1      -7.456   7.833  -3.011  1.00  0.00           N  
HETATM   60  H   UNL     1      -7.576   2.674  -2.494  1.00  0.00           H  
HETATM   61  H   UNL     1      16.474   3.593  -2.016  1.00  0.00           H  
HETATM   62  H   UNL     1      18.591   4.605  -1.290  1.00  0.00           H  
HETATM   63  H   UNL     1      19.475   5.414   1.455  1.00  0.00           H  
HETATM   64  H   UNL     1      17.939   3.155   2.682  1.00  0.00           H  
HETATM   65  H   UNL     1      15.822   2.133   1.970  1.00  0.00           H  
HETATM   66  H   UNL     1      14.413   2.285  -1.526  1.00  0.00           H  
HETATM   67  H   UNL     1      14.303   1.414   1.412  1.00  0.00           H  
HETATM   68  H   UNL     1       9.869   0.430  -0.358  1.00  0.00           H  
HETATM   69  H   UNL     1      10.726  -1.075  -0.772  1.00  0.00           H  
HETATM   70  H   UNL     1       9.810  -2.156   1.263  1.00  0.00           H  
HETATM   71  H   UNL     1       8.953  -0.651   1.677  1.00  0.00           H  
HETATM   72  H   UNL     1       8.216  -1.403  -0.943  1.00  0.00           H  
HETATM   73  H   UNL     1       5.570  -1.895  -0.802  1.00  0.00           H  
HETATM   74  H   UNL     1       6.427  -3.400  -1.216  1.00  0.00           H  
HETATM   75  H   UNL     1       5.511  -4.481   0.819  1.00  0.00           H  
HETATM   76  H   UNL     1       4.655  -2.977   1.233  1.00  0.00           H  
HETATM   77  H   UNL     1       3.918  -3.728  -1.388  1.00  0.00           H  
HETATM   78  H   UNL     1       1.461  -6.075  -0.736  1.00  0.00           H  
HETATM   79  H   UNL     1       2.209  -3.752  -2.310  1.00  0.00           H  
HETATM   80  H   UNL     1       0.903  -4.433   1.772  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.804  -4.114   1.382  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.102  -5.719   1.061  1.00  0.00           H  
HETATM   83  H   UNL     1       1.173  -2.382  -1.292  1.00  0.00           H  
HETATM   84  H   UNL     1       0.031  -2.121   0.049  1.00  0.00           H  
HETATM   85  H   UNL     1       1.720  -2.566   0.392  1.00  0.00           H  
HETATM   86  H   UNL     1      -0.384  -4.062  -2.290  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.946  -5.443  -1.318  1.00  0.00           H  
HETATM   88  H   UNL     1      -2.677  -2.007  -3.038  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.161  -3.892   1.033  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.098  -0.749  -0.998  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.264  -1.567   0.574  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.246   0.488   1.665  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.881   0.446   0.183  1.00  0.00           H  
HETATM   94  H   UNL     1     -11.899  -0.950   4.414  1.00  0.00           H  
HETATM   95  H   UNL     1      -9.722  -2.214   2.508  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.872   2.729  -0.164  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.674   4.119   1.768  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.235   3.108   1.266  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.737   7.883   1.408  1.00  0.00           H  
HETATM  100  H   UNL     1      -7.412   7.314  -3.830  1.00  0.00           H  
HETATM  101  H   UNL     1      -7.437   8.802  -3.049  1.00  0.00           H  
CONECT    1    6    6    2   56                                       
CONECT    2    3    3    1   57                                       
CONECT    3    5   59    2    2                                       
CONECT    4   57   57   56   60                                       
CONECT    5   58   58    3                                            
CONECT    6   58    1    1                                            
CONECT    7    8   13   13   61                                       
CONECT    8    9    9    7   62                                       
CONECT    9   10    8    8   11                                       
CONECT   10    9   63                                                 
CONECT   11    9   12   12   64                                       
CONECT   12   11   11   13   65                                       
CONECT   13    7    7   12   14                                       
CONECT   14   13   15   15   66                                       
CONECT   15   14   14   16   67                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19                                                 
CONECT   19   20   18   68   69                                       
CONECT   20   21   19   70   71                                       
CONECT   21   20   22   72                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   73   74                                       
CONECT   25   24   26   75   76                                       
CONECT   26   25   27   77                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   31   30   78                                       
CONECT   30   29   79                                                 
CONECT   31   32   33   29   34                                       
CONECT   32   31   80   81   82                                       
CONECT   33   31   83   84   85                                       
CONECT   34   31   35   86   87                                       
CONECT   35   34   36                                                 
CONECT   36   35   38   38   37                                       
CONECT   36   39                                                      
CONECT   37   36   88                                                 
CONECT   38   36   36                                                 
CONECT   39   36   40                                                 
CONECT   40   43   39   42   42                                       
CONECT   40   41                                                      
CONECT   41   40   89                                                 
CONECT   42   40   40                                                 
CONECT   43   44   40                                                 
CONECT   44   45   43   90   91                                       
CONECT   45   46   47   44   92                                       
CONECT   46   55   45                                                 
CONECT   47   53   45   48   93                                       
CONECT   48   47   49                                                 
CONECT   49   48   51   51   52                                       
CONECT   49   50                                                      
CONECT   50   49   94                                                 
CONECT   51   49   49                                                 
CONECT   52   49   95                                                 
CONECT   53   55   54   47   96                                       
CONECT   54   53   97                                                 
CONECT   55   56   46   53   98                                       
CONECT   56    1    4   55                                            
CONECT   57    2    4    4                                            
CONECT   58    5    5    6   99                                       
CONECT   59    3  100  101                                            
CONECT   60    4                                                      
CONECT   61    7                                                      
CONECT   62    8                                                      
CONECT   63   10                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   14                                                      
CONECT   67   15                                                      
CONECT   68   19                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   20                                                      
CONECT   72   21                                                      
CONECT   73   24                                                      
CONECT   74   24                                                      
CONECT   75   25                                                      
CONECT   76   25                                                      
CONECT   77   26                                                      
CONECT   78   29                                                      
CONECT   79   30                                                      
CONECT   80   32                                                      
CONECT   81   32                                                      
CONECT   82   32                                                      
CONECT   83   33                                                      
CONECT   84   33                                                      
CONECT   85   33                                                      
CONECT   86   34                                                      
CONECT   87   34                                                      
CONECT   88   37                                                      
CONECT   89   41                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   45                                                      
CONECT   93   47                                                      
CONECT   94   50                                                      
CONECT   95   52                                                      
CONECT   96   53                                                      
CONECT   97   54                                                      
CONECT   98   55                                                      
CONECT   99   58                                                      
CONECT  100   59                                                      
CONECT  101   59                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
