COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      12.285   0.385   0.977  1.00  0.00           C  
HETATM    2  O   UNL     1      12.098   0.239  -0.213  1.00  0.00           O  
HETATM    3  C   UNL     1      13.561   1.022   1.466  1.00  0.00           C  
HETATM    4  C   UNL     1      14.439   1.389   0.269  1.00  0.00           C  
HETATM    5  O   UNL     1      13.788   2.396  -0.509  1.00  0.00           O  
HETATM    6  C   UNL     1      15.785   1.920   0.767  1.00  0.00           C  
HETATM    7  C   UNL     1      16.709   2.170  -0.427  1.00  0.00           C  
HETATM    8  C   UNL     1      18.054   2.701   0.072  1.00  0.00           C  
HETATM    9  C   UNL     1      18.978   2.951  -1.122  1.00  0.00           C  
HETATM   10  C   UNL     1      20.323   3.482  -0.623  1.00  0.00           C  
HETATM   11  C   UNL     1      21.247   3.732  -1.817  1.00  0.00           C  
HETATM   12  C   UNL     1      22.593   4.263  -1.318  1.00  0.00           C  
HETATM   13  N   UNL     1      -9.223   7.760   0.340  1.00  0.00           N  
HETATM   14  O   UNL     1      -6.470  -1.662  -3.320  1.00  0.00           O1-
HETATM   15  P   UNL     1      -6.230  -2.153  -1.875  1.00  0.00           P  
HETATM   16  C   UNL     1      -8.677   2.596   0.449  1.00  0.00           C  
HETATM   17  S   UNL     1      11.098  -0.126   2.099  1.00  0.00           S  
HETATM   18  C   UNL     1      -9.547   6.916   1.303  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.942  -3.508  -1.666  1.00  0.00           O  
HETATM   20  P   UNL     1      -3.563  -3.429  -2.081  1.00  0.00           P  
HETATM   21  C   UNL     1     -10.114   2.049   0.253  1.00  0.00           C  
HETATM   22  O   UNL     1     -11.017   2.646   1.186  1.00  0.00           O  
HETATM   23  C   UNL     1       9.849  -0.774   0.962  1.00  0.00           C  
HETATM   24  N   UNL     1      -9.353   5.618   1.199  1.00  0.00           N  
HETATM   25  O   UNL     1      -4.650  -2.333  -1.625  1.00  0.00           O  
HETATM   26  C   UNL     1      -9.931   0.541   0.549  1.00  0.00           C  
HETATM   27  O   UNL     1     -10.306   0.246   1.896  1.00  0.00           O  
HETATM   28  P   UNL     1     -11.459  -0.812   2.273  1.00  0.00           P  
HETATM   29  C   UNL     1       8.656  -1.303   1.762  1.00  0.00           C  
HETATM   30  C   UNL     1      -8.814   5.099   0.101  1.00  0.00           C  
HETATM   31  O   UNL     1      -4.189  -4.839  -2.001  1.00  0.00           O  
HETATM   32  C   UNL     1      -8.423   0.296   0.344  1.00  0.00           C  
HETATM   33  O   UNL     1      -7.841   1.542  -0.076  1.00  0.00           O  
HETATM   34  N   UNL     1       7.645  -1.828   0.841  1.00  0.00           N  
HETATM   35  C   UNL     1      -8.452   5.956  -0.953  1.00  0.00           C  
HETATM   36  O   UNL     1      -3.121  -3.143  -3.534  1.00  0.00           O1-
HETATM   37  C   UNL     1      -8.211  -0.768  -0.735  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.818  -1.072  -0.836  1.00  0.00           O  
HETATM   39  C   UNL     1       6.500  -2.349   1.324  1.00  0.00           C  
HETATM   40  O   UNL     1       6.307  -2.384   2.521  1.00  0.00           O  
HETATM   41  C   UNL     1      -8.679   7.334  -0.795  1.00  0.00           C  
HETATM   42  N   UNL     1      -8.344   8.226  -1.798  1.00  0.00           N  
HETATM   43  O   UNL     1      -2.283  -3.355  -1.107  1.00  0.00           O  
HETATM   44  C   UNL     1       5.459  -2.889   0.377  1.00  0.00           C  
HETATM   45  N   UNL     1      -7.933   5.182  -1.936  1.00  0.00           N  
HETATM   46  O   UNL     1     -11.074  -2.225   1.716  1.00  0.00           O1-
HETATM   47  C   UNL     1       4.267  -3.418   1.177  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.952   3.936  -1.563  1.00  0.00           C  
HETATM   49  O   UNL     1     -11.610  -0.888   3.830  1.00  0.00           O  
HETATM   50  N   UNL     1       3.256  -3.943   0.257  1.00  0.00           N  
HETATM   51  N   UNL     1      -8.487   3.832  -0.313  1.00  0.00           N  
HETATM   52  O   UNL     1     -12.817  -0.354   1.639  1.00  0.00           O1-
HETATM   53  C   UNL     1       2.110  -4.465   0.740  1.00  0.00           C  
HETATM   54  O   UNL     1       1.956  -4.585   1.937  1.00  0.00           O  
HETATM   55  C   UNL     1       1.021  -4.898  -0.207  1.00  0.00           C  
HETATM   56  O   UNL     1       1.531  -4.917  -1.542  1.00  0.00           O  
HETATM   57  C   UNL     1      -0.149  -3.918  -0.122  1.00  0.00           C  
HETATM   58  C   UNL     1      -1.190  -4.271  -1.187  1.00  0.00           C  
HETATM   59  C   UNL     1      -0.789  -4.006   1.265  1.00  0.00           C  
HETATM   60  C   UNL     1       0.359  -2.494  -0.358  1.00  0.00           C  
HETATM   61  H   UNL     1      13.323   1.923   2.032  1.00  0.00           H  
HETATM   62  H   UNL     1      14.094   0.320   2.107  1.00  0.00           H  
HETATM   63  H   UNL     1      14.604   0.504  -0.347  1.00  0.00           H  
HETATM   64  H   UNL     1      13.611   3.213  -0.025  1.00  0.00           H  
HETATM   65  H   UNL     1      15.629   2.854   1.307  1.00  0.00           H  
HETATM   66  H   UNL     1      16.241   1.187   1.433  1.00  0.00           H  
HETATM   67  H   UNL     1      16.865   1.236  -0.967  1.00  0.00           H  
HETATM   68  H   UNL     1      16.253   2.903  -1.092  1.00  0.00           H  
HETATM   69  H   UNL     1      17.898   3.635   0.612  1.00  0.00           H  
HETATM   70  H   UNL     1      18.510   1.968   0.737  1.00  0.00           H  
HETATM   71  H   UNL     1      19.134   2.017  -1.662  1.00  0.00           H  
HETATM   72  H   UNL     1      18.522   3.684  -1.787  1.00  0.00           H  
HETATM   73  H   UNL     1      20.167   4.416  -0.083  1.00  0.00           H  
HETATM   74  H   UNL     1      20.779   2.749   0.042  1.00  0.00           H  
HETATM   75  H   UNL     1      21.403   2.798  -2.357  1.00  0.00           H  
HETATM   76  H   UNL     1      20.791   4.465  -2.482  1.00  0.00           H  
HETATM   77  H   UNL     1      23.049   3.530  -0.653  1.00  0.00           H  
HETATM   78  H   UNL     1      23.251   4.441  -2.169  1.00  0.00           H  
HETATM   79  H   UNL     1      22.437   5.197  -0.778  1.00  0.00           H  
HETATM   80  H   UNL     1      -8.469   2.759   1.506  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.987   7.305   2.209  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.454   2.207  -0.771  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.096   3.606   1.098  1.00  0.00           H  
HETATM   84  H   UNL     1       9.515   0.022   0.296  1.00  0.00           H  
HETATM   85  H   UNL     1      10.279  -1.584   0.373  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.515  -0.059  -0.149  1.00  0.00           H  
HETATM   87  H   UNL     1       8.990  -2.099   2.428  1.00  0.00           H  
HETATM   88  H   UNL     1       8.226  -0.493   2.351  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.969  -0.027   1.281  1.00  0.00           H  
HETATM   90  H   UNL     1       7.799  -1.800  -0.116  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.761  -1.670  -0.469  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.571  -0.391  -1.692  1.00  0.00           H  
HETATM   93  H   UNL     1      -8.506   9.175  -1.677  1.00  0.00           H  
HETATM   94  H   UNL     1      -7.947   7.903  -2.622  1.00  0.00           H  
HETATM   95  H   UNL     1       5.126  -2.093  -0.288  1.00  0.00           H  
HETATM   96  H   UNL     1       5.890  -3.699  -0.212  1.00  0.00           H  
HETATM   97  H   UNL     1       4.601  -4.214   1.843  1.00  0.00           H  
HETATM   98  H   UNL     1       3.837  -2.608   1.766  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.598   3.106  -2.156  1.00  0.00           H  
HETATM  100  H   UNL     1       3.410  -3.916  -0.701  1.00  0.00           H  
HETATM  101  H   UNL     1       0.680  -5.897   0.065  1.00  0.00           H  
HETATM  102  H   UNL     1       1.854  -4.060  -1.852  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.552  -5.285  -1.018  1.00  0.00           H  
HETATM  104  H   UNL     1      -0.734  -4.207  -2.175  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.071  -3.680   2.018  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.670  -3.366   1.301  1.00  0.00           H  
HETATM  107  H   UNL     1      -1.081  -5.037   1.465  1.00  0.00           H  
HETATM  108  H   UNL     1       0.815  -2.431  -1.347  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.475  -1.795  -0.297  1.00  0.00           H  
HETATM  110  H   UNL     1       1.100  -2.242   0.400  1.00  0.00           H  
CONECT    1    2    2    3   17                                       
CONECT    2    1    1                                                 
CONECT    3    1    4   61   62                                       
CONECT    4    3    5    6   63                                       
CONECT    5    4   64                                                 
CONECT    6    4    7   65   66                                       
CONECT    7    6    8   67   68                                       
CONECT    8    7    9   69   70                                       
CONECT    9    8   10   71   72                                       
CONECT   10    9   11   73   74                                       
CONECT   11   10   12   75   76                                       
CONECT   12   11   77   78   79                                       
CONECT   13   18   18   41                                            
CONECT   14   15                                                      
CONECT   15   14   19   19   25                                       
CONECT   15   38                                                      
CONECT   16   21   33   51   80                                       
CONECT   17    1   23                                                 
CONECT   18   13   13   24   81                                       
CONECT   19   15   15                                                 
CONECT   20   25   31   31   36                                       
CONECT   20   43                                                      
CONECT   21   16   22   26   82                                       
CONECT   22   21   83                                                 
CONECT   23   17   29   84   85                                       
CONECT   24   18   30   30                                            
CONECT   25   15   20                                                 
CONECT   26   21   27   32   86                                       
CONECT   27   26   28                                                 
CONECT   28   27   46   49   49                                       
CONECT   28   52                                                      
CONECT   29   23   34   87   88                                       
CONECT   30   24   24   35   51                                       
CONECT   31   20   20                                                 
CONECT   32   26   33   37   89                                       
CONECT   33   16   32                                                 
CONECT   34   29   39   90                                            
CONECT   35   30   41   41   45                                       
CONECT   36   20                                                      
CONECT   37   32   38   91   92                                       
CONECT   38   15   37                                                 
CONECT   39   34   40   40   44                                       
CONECT   40   39   39                                                 
CONECT   41   13   35   35   42                                       
CONECT   42   41   93   94                                            
CONECT   43   20   58                                                 
CONECT   44   39   47   95   96                                       
CONECT   45   35   48   48                                            
CONECT   46   28                                                      
CONECT   47   44   50   97   98                                       
CONECT   48   45   45   51   99                                       
CONECT   49   28   28                                                 
CONECT   50   47   53  100                                            
CONECT   51   16   30   48                                            
CONECT   52   28                                                      
CONECT   53   50   54   54   55                                       
CONECT   54   53   53                                                 
CONECT   55   53   56   57  101                                       
CONECT   56   55  102                                                 
CONECT   57   55   58   59   60                                       
CONECT   58   43   57  103  104                                       
CONECT   59   57  105  106  107                                       
CONECT   60   57  108  109  110                                       
CONECT   61    3                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    6                                                      
CONECT   67    7                                                      
CONECT   68    7                                                      
CONECT   69    8                                                      
CONECT   70    8                                                      
CONECT   71    9                                                      
CONECT   72    9                                                      
CONECT   73   10                                                      
CONECT   74   10                                                      
CONECT   75   11                                                      
CONECT   76   11                                                      
CONECT   77   12                                                      
CONECT   78   12                                                      
CONECT   79   12                                                      
CONECT   80   16                                                      
CONECT   81   18                                                      
CONECT   82   21                                                      
CONECT   83   22                                                      
CONECT   84   23                                                      
CONECT   85   23                                                      
CONECT   86   26                                                      
CONECT   87   29                                                      
CONECT   88   29                                                      
CONECT   89   32                                                      
CONECT   90   34                                                      
CONECT   91   37                                                      
CONECT   92   37                                                      
CONECT   93   42                                                      
CONECT   94   42                                                      
CONECT   95   44                                                      
CONECT   96   44                                                      
CONECT   97   47                                                      
CONECT   98   47                                                      
CONECT   99   48                                                      
CONECT  100   50                                                      
CONECT  101   55                                                      
CONECT  102   56                                                      
CONECT  103   58                                                      
CONECT  104   58                                                      
CONECT  105   59                                                      
CONECT  106   59                                                      
CONECT  107   59                                                      
CONECT  108   60                                                      
CONECT  109   60                                                      
CONECT  110   60                                                      
MASTER        0    0    0    0    0    0    0    0  110    0  110    0
END
