COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.160   0.741   0.273  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.459  -0.442   1.468  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.018  -0.432   2.647  1.00  0.00           O  
HETATM    4  C   UNL     1       1.082   3.541  -0.095  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.185  -3.226   1.836  1.00  0.00           C  
HETATM    6  C   UNL     1       0.670   4.711   0.513  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.913  -0.619   0.259  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.450  -3.712   1.127  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.256   0.538   0.311  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.998  -2.595   0.237  1.00  0.00           C  
HETATM   11  C   UNL     1       1.598   5.669   0.872  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.265   2.527  -2.738  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.379  -1.398  -0.784  1.00  0.00           C  
HETATM   14  O   UNL     1       5.548  -2.515  -2.329  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.136   1.519   0.665  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.115  -4.932   0.265  1.00  0.00           C  
HETATM   17  C   UNL     1      -6.094  -0.819  -1.815  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.343   0.545  -1.803  1.00  0.00           C  
HETATM   19  C   UNL     1       4.789  -1.473  -2.937  1.00  0.00           C  
HETATM   20  C   UNL     1       3.357   4.280   0.010  1.00  0.00           C  
HETATM   21  C   UNL     1       4.041  -2.648  -0.410  1.00  0.00           C  
HETATM   22  C   UNL     1       5.160  -2.220   0.559  1.00  0.00           C  
HETATM   23  O   UNL     1       4.717  -2.319   1.914  1.00  0.00           O  
HETATM   24  C   UNL     1       6.290  -3.235   0.278  1.00  0.00           C  
HETATM   25  O   UNL     1       5.800  -4.148  -0.721  1.00  0.00           O  
HETATM   26  C   UNL     1       4.814  -3.417  -1.500  1.00  0.00           C  
HETATM   27  C   UNL     1       4.205  -0.588  -1.829  1.00  0.00           C  
HETATM   28  C   UNL     1       3.288  -1.456  -0.964  1.00  0.00           C  
HETATM   29  O   UNL     1       2.776  -0.660   0.137  1.00  0.00           O  
HETATM   30  C   UNL     1       1.635   0.021  -0.080  1.00  0.00           C  
HETATM   31  O   UNL     1       1.082  -0.049  -1.159  1.00  0.00           O  
HETATM   32  N   UNL     1       1.105   0.779   0.901  1.00  0.00           N  
HETATM   33  C   UNL     1       0.067   2.500  -0.491  1.00  0.00           C  
HETATM   34  C   UNL     1       2.946   5.456   0.621  1.00  0.00           C  
HETATM   35  O   UNL     1       3.861   6.397   0.972  1.00  0.00           O  
HETATM   36  C   UNL     1       5.231   6.109   0.684  1.00  0.00           C  
HETATM   37  C   UNL     1       2.425   3.325  -0.347  1.00  0.00           C  
HETATM   38  O   UNL     1      -2.467   1.261   0.081  1.00  0.00           O  
HETATM   39  N   UNL     1      -2.425  -1.470   1.073  1.00  0.00           N  
HETATM   40  S   UNL     1      -4.001  -1.361   1.571  1.00  0.00           S  
HETATM   41  O   UNL     1      -4.478  -2.694   1.688  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.046   1.118  -2.816  1.00  0.00           O  
HETATM   43  C   UNL     1      -5.875   1.325  -0.756  1.00  0.00           C  
HETATM   44  H   UNL     1      -4.799   1.347   1.090  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.508  -0.914   1.716  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.836   0.095   2.338  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.447  -2.445   2.551  1.00  0.00           H  
HETATM   48  H   UNL     1       0.280  -4.059   2.363  1.00  0.00           H  
HETATM   49  H   UNL     1       0.513  -2.826   1.101  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.380   4.877   0.709  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.200  -3.987   1.868  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.985  -0.013  -0.589  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.219  -2.262  -0.449  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.849  -2.968  -0.333  1.00  0.00           H  
HETATM   55  H   UNL     1       1.275   6.584   1.347  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.305   3.044  -2.719  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.836   2.855  -3.607  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.820   2.759  -1.829  1.00  0.00           H  
HETATM   59  H   UNL     1      -5.185  -2.461  -0.793  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.407   2.070   1.566  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.724  -5.728   0.899  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.016  -5.278  -0.240  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.365  -4.657  -0.477  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.457  -1.428  -2.629  1.00  0.00           H  
HETATM   65  H   UNL     1       5.436  -0.876  -3.580  1.00  0.00           H  
HETATM   66  H   UNL     1       3.980  -1.905  -3.526  1.00  0.00           H  
HETATM   67  H   UNL     1       4.406   4.111  -0.186  1.00  0.00           H  
HETATM   68  H   UNL     1       3.348  -3.318   0.099  1.00  0.00           H  
HETATM   69  H   UNL     1       5.492  -1.206   0.339  1.00  0.00           H  
HETATM   70  H   UNL     1       5.384  -2.062   2.566  1.00  0.00           H  
HETATM   71  H   UNL     1       7.172  -2.714  -0.095  1.00  0.00           H  
HETATM   72  H   UNL     1       6.537  -3.777   1.191  1.00  0.00           H  
HETATM   73  H   UNL     1       4.173  -4.079  -2.081  1.00  0.00           H  
HETATM   74  H   UNL     1       5.011  -0.182  -1.218  1.00  0.00           H  
HETATM   75  H   UNL     1       3.631   0.226  -2.271  1.00  0.00           H  
HETATM   76  H   UNL     1       2.453  -1.809  -1.569  1.00  0.00           H  
HETATM   77  H   UNL     1       1.547   0.834   1.763  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.880   2.987  -0.725  1.00  0.00           H  
HETATM   79  H   UNL     1       0.424   1.959  -1.368  1.00  0.00           H  
HETATM   80  H   UNL     1       5.529   5.201   1.207  1.00  0.00           H  
HETATM   81  H   UNL     1       5.354   5.968  -0.390  1.00  0.00           H  
HETATM   82  H   UNL     1       5.854   6.940   1.014  1.00  0.00           H  
HETATM   83  H   UNL     1       2.744   2.412  -0.826  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.726   1.838   0.812  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.071   2.387  -0.742  1.00  0.00           H  
CONECT    1    7   43   43   44                                       
CONECT    2    9   39   45   46                                       
CONECT    3   40   40                                                 
CONECT    4    6    6   37   33                                       
CONECT    5    8   47   48   49                                       
CONECT    6   11    4    4   50                                       
CONECT    7   40   13   13    1                                       
CONECT    8    5   16   10   51                                       
CONECT    9   15   38    2   52                                       
CONECT   10    8   39   53   54                                       
CONECT   11   34   34    6   55                                       
CONECT   12   42   56   57   58                                       
CONECT   13    7    7   17   59                                       
CONECT   14   26   19                                                 
CONECT   15   32    9   33   60                                       
CONECT   16    8   61   62   63                                       
CONECT   17   13   18   18   64                                       
CONECT   18   17   17   43   42                                       
CONECT   19   14   27   65   66                                       
CONECT   20   34   37   37   67                                       
CONECT   21   26   22   28   68                                       
CONECT   22   21   23   24   69                                       
CONECT   23   22   70                                                 
CONECT   24   25   22   71   72                                       
CONECT   25   26   24                                                 
CONECT   26   14   25   21   73                                       
CONECT   27   19   28   74   75                                       
CONECT   28   21   27   29   76                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   30   15   77                                            
CONECT   33    4   15   78   79                                       
CONECT   34   35   11   11   20                                       
CONECT   35   36   34                                                 
CONECT   36   35   80   81   82                                       
CONECT   37   20   20    4   83                                       
CONECT   38    9   84                                                 
CONECT   39    2   10   40                                            
CONECT   40   39   41   41    3                                       
CONECT   40    3    7                                                 
CONECT   41   40   40                                                 
CONECT   42   18   12                                                 
CONECT   43    1    1   18   85                                       
CONECT   44    1                                                      
CONECT   45    2                                                      
CONECT   46    2                                                      
CONECT   47    5                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    6                                                      
CONECT   51    8                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   12                                                      
CONECT   59   13                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   36                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   38                                                      
CONECT   85   43                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
