COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      13.873   2.180  -0.907  1.00  0.00           C  
HETATM    2  C   UNL     1      15.066   2.837  -0.572  1.00  0.00           C  
HETATM    3  C   UNL     1      15.833   3.497  -1.549  1.00  0.00           C  
HETATM    4  C   UNL     1      16.985   4.125  -1.190  1.00  0.00           C  
HETATM    5  C   UNL     1      17.419   4.125   0.134  1.00  0.00           C  
HETATM    6  C   UNL     1      16.704   3.497   1.107  1.00  0.00           C  
HETATM    7  C   UNL     1      15.508   2.837   0.776  1.00  0.00           C  
HETATM    8  C   UNL     1      14.747   2.179   1.759  1.00  0.00           C  
HETATM    9  C   UNL     1      13.595   1.547   1.416  1.00  0.00           C  
HETATM   10  C   UNL     1      13.145   1.542   0.083  1.00  0.00           C  
HETATM   11  C   UNL     1      11.887   0.848  -0.263  1.00  0.00           C  
HETATM   12  O   UNL     1      11.495   0.839  -1.414  1.00  0.00           O  
HETATM   13  S   UNL     1      10.956   0.034   0.992  1.00  0.00           S  
HETATM   14  C   UNL     1       9.582  -0.603   0.001  1.00  0.00           C  
HETATM   15  C   UNL     1       8.614  -1.369   0.904  1.00  0.00           C  
HETATM   16  N   UNL     1       7.501  -1.884   0.101  1.00  0.00           N  
HETATM   17  C   UNL     1       6.520  -2.596   0.689  1.00  0.00           C  
HETATM   18  O   UNL     1       6.557  -2.811   1.882  1.00  0.00           O  
HETATM   19  C   UNL     1       5.375  -3.126  -0.136  1.00  0.00           C  
HETATM   20  C   UNL     1       4.407  -3.893   0.767  1.00  0.00           C  
HETATM   21  N   UNL     1       3.295  -4.408  -0.035  1.00  0.00           N  
HETATM   22  C   UNL     1       2.313  -5.120   0.552  1.00  0.00           C  
HETATM   23  O   UNL     1       2.397  -5.414   1.726  1.00  0.00           O  
HETATM   24  C   UNL     1       1.112  -5.551  -0.249  1.00  0.00           C  
HETATM   25  O   UNL     1       1.363  -5.333  -1.639  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.108  -4.735   0.183  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.468  -5.081   1.629  1.00  0.00           C  
HETATM   28  C   UNL     1       0.213  -3.243   0.080  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.292  -5.066  -0.729  1.00  0.00           C  
HETATM   30  O   UNL     1      -2.431  -4.304  -0.326  1.00  0.00           O  
HETATM   31  P   UNL     1      -3.857  -4.400  -1.067  1.00  0.00           P  
HETATM   32  O   UNL     1      -3.682  -4.129  -2.512  1.00  0.00           O  
HETATM   33  O   UNL     1      -4.467  -5.877  -0.869  1.00  0.00           O  
HETATM   34  O   UNL     1      -4.865  -3.315  -0.436  1.00  0.00           O  
HETATM   35  P   UNL     1      -6.277  -2.696  -0.900  1.00  0.00           P  
HETATM   36  O   UNL     1      -6.255  -2.458  -2.361  1.00  0.00           O  
HETATM   37  O   UNL     1      -7.459  -3.730  -0.543  1.00  0.00           O  
HETATM   38  O   UNL     1      -6.531  -1.304  -0.133  1.00  0.00           O  
HETATM   39  C   UNL     1      -7.650  -0.458  -0.406  1.00  0.00           C  
HETATM   40  C   UNL     1      -7.588   0.777   0.495  1.00  0.00           C  
HETATM   41  O   UNL     1      -6.454   1.586   0.138  1.00  0.00           O  
HETATM   42  C   UNL     1      -8.850   1.638   0.293  1.00  0.00           C  
HETATM   43  O   UNL     1      -9.571   1.763   1.520  1.00  0.00           O  
HETATM   44  P   UNL     1     -11.090   1.260   1.700  1.00  0.00           P  
HETATM   45  O   UNL     1     -11.624   1.676   3.160  1.00  0.00           O  
HETATM   46  O   UNL     1     -11.943   1.886   0.665  1.00  0.00           O  
HETATM   47  O   UNL     1     -11.147  -0.342   1.544  1.00  0.00           O  
HETATM   48  C   UNL     1      -8.303   3.013  -0.161  1.00  0.00           C  
HETATM   49  O   UNL     1      -9.022   4.080   0.461  1.00  0.00           O  
HETATM   50  C   UNL     1      -6.835   2.962   0.347  1.00  0.00           C  
HETATM   51  N   UNL     1      -5.986   3.860  -0.439  1.00  0.00           N  
HETATM   52  C   UNL     1      -5.233   3.515  -1.522  1.00  0.00           C  
HETATM   53  N   UNL     1      -4.608   4.561  -1.980  1.00  0.00           N  
HETATM   54  C   UNL     1      -4.919   5.640  -1.222  1.00  0.00           C  
HETATM   55  C   UNL     1      -5.807   5.203  -0.224  1.00  0.00           C  
HETATM   56  N   UNL     1      -6.271   6.083   0.657  1.00  0.00           N  
HETATM   57  C   UNL     1      -5.902   7.345   0.603  1.00  0.00           C  
HETATM   58  N   UNL     1      -5.067   7.801  -0.313  1.00  0.00           N  
HETATM   59  C   UNL     1      -4.556   6.997  -1.240  1.00  0.00           C  
HETATM   60  N   UNL     1      -3.685   7.485  -2.198  1.00  0.00           N  
HETATM   61  H   UNL     1      13.523   2.176  -1.929  1.00  0.00           H  
HETATM   62  H   UNL     1      15.508   3.504  -2.579  1.00  0.00           H  
HETATM   63  H   UNL     1      17.572   4.630  -1.943  1.00  0.00           H  
HETATM   64  H   UNL     1      18.338   4.631   0.393  1.00  0.00           H  
HETATM   65  H   UNL     1      17.054   3.505   2.129  1.00  0.00           H  
HETATM   66  H   UNL     1      15.078   2.176   2.787  1.00  0.00           H  
HETATM   67  H   UNL     1      13.016   1.044   2.176  1.00  0.00           H  
HETATM   68  H   UNL     1       9.058   0.229  -0.470  1.00  0.00           H  
HETATM   69  H   UNL     1       9.968  -1.271  -0.768  1.00  0.00           H  
HETATM   70  H   UNL     1       9.137  -2.201   1.375  1.00  0.00           H  
HETATM   71  H   UNL     1       8.227  -0.700   1.673  1.00  0.00           H  
HETATM   72  H   UNL     1       7.471  -1.713  -0.853  1.00  0.00           H  
HETATM   73  H   UNL     1       4.852  -2.295  -0.607  1.00  0.00           H  
HETATM   74  H   UNL     1       5.761  -3.795  -0.905  1.00  0.00           H  
HETATM   75  H   UNL     1       4.931  -4.725   1.238  1.00  0.00           H  
HETATM   76  H   UNL     1       4.021  -3.224   1.536  1.00  0.00           H  
HETATM   77  H   UNL     1       3.265  -4.236  -0.990  1.00  0.00           H  
HETATM   78  H   UNL     1       0.920  -6.610  -0.076  1.00  0.00           H  
HETATM   79  H   UNL     1       1.542  -4.411  -1.866  1.00  0.00           H  
HETATM   80  H   UNL     1       0.344  -4.774   2.289  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.382  -4.559   1.911  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.621  -6.156   1.719  1.00  0.00           H  
HETATM   83  H   UNL     1       0.469  -2.997  -0.951  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.656  -2.662   0.387  1.00  0.00           H  
HETATM   85  H   UNL     1       1.056  -3.007   0.730  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.036  -4.819  -1.760  1.00  0.00           H  
HETATM   87  H   UNL     1      -1.521  -6.129  -0.656  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.608  -6.123   0.056  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.532  -3.932   0.400  1.00  0.00           H  
HETATM   90  H   UNL     1      -7.625  -0.147  -1.451  1.00  0.00           H  
HETATM   91  H   UNL     1      -8.574  -1.003  -0.211  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.511   0.471   1.538  1.00  0.00           H  
HETATM   93  H   UNL     1      -9.486   1.206  -0.480  1.00  0.00           H  
HETATM   94  H   UNL     1     -12.535   1.404   3.339  1.00  0.00           H  
HETATM   95  H   UNL     1     -10.609  -0.819   2.191  1.00  0.00           H  
HETATM   96  H   UNL     1      -8.336   3.105  -1.247  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.659   4.957   0.278  1.00  0.00           H  
HETATM   98  H   UNL     1      -6.787   3.216   1.406  1.00  0.00           H  
HETATM   99  H   UNL     1      -5.165   2.521  -1.938  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.298   8.034   1.334  1.00  0.00           H  
HETATM  101  H   UNL     1      -3.317   6.887  -2.868  1.00  0.00           H  
HETATM  102  H   UNL     1      -3.442   8.424  -2.200  1.00  0.00           H  
CONECT    1    2    2   10   61                                       
CONECT    2    3    1    1    7                                       
CONECT    3    4    4    2   62                                       
CONECT    4    3    3    5   63                                       
CONECT    5    4    6    6   64                                       
CONECT    6    5    5    7   65                                       
CONECT    7    2    6    8    8                                       
CONECT    8    7    7    9   66                                       
CONECT    9   10   10    8   67                                       
CONECT   10    1   11    9    9                                       
CONECT   11   13   12   12   10                                       
CONECT   12   11   11                                                 
CONECT   13   14   11                                                 
CONECT   14   13   15   68   69                                       
CONECT   15   14   16   70   71                                       
CONECT   16   17   15   72                                            
CONECT   17   18   18   19   16                                       
CONECT   18   17   17                                                 
CONECT   19   17   20   73   74                                       
CONECT   20   19   21   75   76                                       
CONECT   21   20   22   77                                            
CONECT   22   23   23   21   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   26   25   78                                       
CONECT   25   24   79                                                 
CONECT   26   28   27   24   29                                       
CONECT   27   26   80   81   82                                       
CONECT   28   26   83   84   85                                       
CONECT   29   26   30   86   87                                       
CONECT   30   29   31                                                 
CONECT   31   30   32   32   33                                       
CONECT   31   34                                                      
CONECT   32   31   31                                                 
CONECT   33   31   88                                                 
CONECT   34   31   35                                                 
CONECT   35   34   36   36   38                                       
CONECT   35   37                                                      
CONECT   36   35   35                                                 
CONECT   37   35   89                                                 
CONECT   38   35   39                                                 
CONECT   39   40   38   90   91                                       
CONECT   40   42   41   39   92                                       
CONECT   41   50   40                                                 
CONECT   42   48   43   40   93                                       
CONECT   43   42   44                                                 
CONECT   44   46   46   43   47                                       
CONECT   44   45                                                      
CONECT   45   44   94                                                 
CONECT   46   44   44                                                 
CONECT   47   44   95                                                 
CONECT   48   49   50   42   96                                       
CONECT   49   48   97                                                 
CONECT   50   48   51   41   98                                       
CONECT   51   52   55   50                                            
CONECT   52   53   53   51   99                                       
CONECT   53   54   52   52                                            
CONECT   54   59   59   53   55                                       
CONECT   55   54   51   56   56                                       
CONECT   56   55   55   57                                            
CONECT   57   58   58   56  100                                       
CONECT   58   59   57   57                                            
CONECT   59   60   54   54   58                                       
CONECT   60   59  101  102                                            
CONECT   61    1                                                      
CONECT   62    3                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    8                                                      
CONECT   67    9                                                      
CONECT   68   14                                                      
CONECT   69   14                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   16                                                      
CONECT   73   19                                                      
CONECT   74   19                                                      
CONECT   75   20                                                      
CONECT   76   20                                                      
CONECT   77   21                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   27                                                      
CONECT   81   27                                                      
CONECT   82   27                                                      
CONECT   83   28                                                      
CONECT   84   28                                                      
CONECT   85   28                                                      
CONECT   86   29                                                      
CONECT   87   29                                                      
CONECT   88   33                                                      
CONECT   89   37                                                      
CONECT   90   39                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   42                                                      
CONECT   94   45                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   52                                                      
CONECT  100   57                                                      
CONECT  101   60                                                      
CONECT  102   60                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
