COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.323   5.748  -1.361  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.948   4.704  -2.262  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.147   3.530  -1.607  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.866   2.326  -2.237  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.069   1.134  -1.569  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.552   1.140  -0.273  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.832   2.338   0.357  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.625   3.533  -0.304  1.00  0.00           C  
HETATM    9  S   UNL     1      -5.809  -0.382   0.577  1.00  0.00           S  
HETATM   10  O   UNL     1      -5.956  -1.369  -0.435  1.00  0.00           O  
HETATM   11  O   UNL     1      -6.760  -0.100   1.595  1.00  0.00           O  
HETATM   12  N   UNL     1      -4.401  -0.753   1.366  1.00  0.00           N  
HETATM   13  C   UNL     1      -4.131  -0.183   2.688  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.591  -1.162   3.770  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.732  -2.426   3.712  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.445  -0.508   5.145  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.427  -1.651   0.742  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.379  -0.826  -0.008  1.00  0.00           C  
HETATM   19  O   UNL     1      -1.618  -0.060   0.927  1.00  0.00           O  
HETATM   20  C   UNL     1      -1.447  -1.763  -0.778  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.670  -2.635   0.211  1.00  0.00           C  
HETATM   22  C   UNL     1       0.127  -3.666  -0.547  1.00  0.00           C  
HETATM   23  C   UNL     1       1.458  -3.433  -0.839  1.00  0.00           C  
HETATM   24  C   UNL     1       2.189  -4.378  -1.534  1.00  0.00           C  
HETATM   25  C   UNL     1       1.589  -5.556  -1.937  1.00  0.00           C  
HETATM   26  C   UNL     1       0.258  -5.790  -1.645  1.00  0.00           C  
HETATM   27  C   UNL     1      -0.472  -4.846  -0.946  1.00  0.00           C  
HETATM   28  N   UNL     1      -0.507  -0.971  -1.574  1.00  0.00           N  
HETATM   29  C   UNL     1       0.664  -0.453  -1.135  1.00  0.00           C  
HETATM   30  C   UNL     1       1.207   0.199  -2.189  1.00  0.00           C  
HETATM   31  C   UNL     1       2.515   0.946  -2.211  1.00  0.00           C  
HETATM   32  O   UNL     1       3.138   0.870  -0.901  1.00  0.00           O  
HETATM   33  C   UNL     1       4.324   1.469  -0.684  1.00  0.00           C  
HETATM   34  O   UNL     1       4.873   2.074  -1.583  1.00  0.00           O  
HETATM   35  N   UNL     1       4.902   1.398   0.532  1.00  0.00           N  
HETATM   36  C   UNL     1       6.192   2.050   0.769  1.00  0.00           C  
HETATM   37  C   UNL     1       6.371   2.353   2.272  1.00  0.00           C  
HETATM   38  O   UNL     1       7.161   3.528   2.462  1.00  0.00           O  
HETATM   39  C   UNL     1       7.115   1.098   2.776  1.00  0.00           C  
HETATM   40  C   UNL     1       7.857   0.566   1.568  1.00  0.00           C  
HETATM   41  C   UNL     1       8.913  -0.327   1.486  1.00  0.00           C  
HETATM   42  C   UNL     1       9.437  -0.671   0.255  1.00  0.00           C  
HETATM   43  C   UNL     1       8.906  -0.124  -0.898  1.00  0.00           C  
HETATM   44  C   UNL     1       7.853   0.766  -0.818  1.00  0.00           C  
HETATM   45  C   UNL     1       7.327   1.114   0.413  1.00  0.00           C  
HETATM   46  N   UNL     1       0.353   0.050  -3.209  1.00  0.00           N  
HETATM   47  N   UNL     1      -0.649  -0.653  -2.813  1.00  0.00           N  
HETATM   48  H   UNL     1      -5.181   6.714  -1.845  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.372   5.631  -1.086  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.704   5.695  -0.466  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.490   2.321  -3.249  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.851   0.197  -2.059  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.210   2.340   1.369  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.845   4.469   0.188  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.061  -0.002   2.793  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.671   0.758   2.795  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.636  -1.424   3.602  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.679  -2.154   3.787  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.998  -3.084   4.540  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.908  -2.942   2.768  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.057   0.393   5.186  1.00  0.00           H  
HETATM   62  H   UNL     1      -4.773  -1.205   5.916  1.00  0.00           H  
HETATM   63  H   UNL     1      -3.400  -0.245   5.313  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.937  -2.247   1.512  1.00  0.00           H  
HETATM   65  H   UNL     1      -3.938  -2.312   0.042  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.878  -0.155  -0.707  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.194  -0.690   1.526  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.036  -2.400  -1.438  1.00  0.00           H  
HETATM   69  H   UNL     1       0.006  -2.010   0.793  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.369  -3.137   0.880  1.00  0.00           H  
HETATM   71  H   UNL     1       1.927  -2.512  -0.524  1.00  0.00           H  
HETATM   72  H   UNL     1       3.229  -4.196  -1.762  1.00  0.00           H  
HETATM   73  H   UNL     1       2.160  -6.295  -2.481  1.00  0.00           H  
HETATM   74  H   UNL     1      -0.211  -6.710  -1.960  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.511  -5.029  -0.718  1.00  0.00           H  
HETATM   76  H   UNL     1       1.080  -0.541  -0.142  1.00  0.00           H  
HETATM   77  H   UNL     1       3.176   0.500  -2.954  1.00  0.00           H  
HETATM   78  H   UNL     1       2.334   1.990  -2.467  1.00  0.00           H  
HETATM   79  H   UNL     1       4.463   0.916   1.250  1.00  0.00           H  
HETATM   80  H   UNL     1       6.263   2.969   0.187  1.00  0.00           H  
HETATM   81  H   UNL     1       5.404   2.454   2.764  1.00  0.00           H  
HETATM   82  H   UNL     1       7.236   3.663   3.417  1.00  0.00           H  
HETATM   83  H   UNL     1       7.819   1.367   3.564  1.00  0.00           H  
HETATM   84  H   UNL     1       6.404   0.357   3.139  1.00  0.00           H  
HETATM   85  H   UNL     1       9.328  -0.754   2.386  1.00  0.00           H  
HETATM   86  H   UNL     1      10.260  -1.367   0.194  1.00  0.00           H  
HETATM   87  H   UNL     1       9.315  -0.392  -1.861  1.00  0.00           H  
HETATM   88  H   UNL     1       7.439   1.193  -1.719  1.00  0.00           H  
CONECT    1    2   48   49   50                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    8                                       
CONECT    4    3    3    5   51                                       
CONECT    5    4    6    6   52                                       
CONECT    6    5    5    7    9                                       
CONECT    7    6    8    8   53                                       
CONECT    8    3    7    7   54                                       
CONECT    9    6   10   10   11                                       
CONECT    9   11   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   13   17                                            
CONECT   13   12   14   55   56                                       
CONECT   14   13   15   16   57                                       
CONECT   15   14   58   59   60                                       
CONECT   16   14   61   62   63                                       
CONECT   17   12   18   64   65                                       
CONECT   18   17   19   20   66                                       
CONECT   19   18   67                                                 
CONECT   20   18   21   28   68                                       
CONECT   21   20   22   69   70                                       
CONECT   22   21   23   23   27                                       
CONECT   23   22   22   24   71                                       
CONECT   24   23   25   25   72                                       
CONECT   25   24   24   26   73                                       
CONECT   26   25   27   27   74                                       
CONECT   27   22   26   26   75                                       
CONECT   28   20   29   47                                            
CONECT   29   28   30   30   76                                       
CONECT   30   29   29   31   46                                       
CONECT   31   30   32   77   78                                       
CONECT   32   31   33                                                 
CONECT   33   32   34   34   35                                       
CONECT   34   33   33                                                 
CONECT   35   33   36   79                                            
CONECT   36   35   37   45   80                                       
CONECT   37   36   38   39   81                                       
CONECT   38   37   82                                                 
CONECT   39   37   40   83   84                                       
CONECT   40   39   41   41   45                                       
CONECT   41   40   40   42   85                                       
CONECT   42   41   43   43   86                                       
CONECT   43   42   42   44   87                                       
CONECT   44   43   45   45   88                                       
CONECT   45   36   40   44   44                                       
CONECT   46   30   47   47                                            
CONECT   47   28   46   46                                            
CONECT   48    1                                                      
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    4                                                      
CONECT   52    5                                                      
CONECT   53    7                                                      
CONECT   54    8                                                      
CONECT   55   13                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   21                                                      
CONECT   70   21                                                      
CONECT   71   23                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   29                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   35                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   39                                                      
CONECT   84   39                                                      
CONECT   85   41                                                      
CONECT   86   42                                                      
CONECT   87   43                                                      
CONECT   88   44                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
