COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       2.615  -1.845   0.603  1.00  0.00           N  
HETATM    2  N   UNL     1       6.486   2.267  -1.339  1.00  0.00           N  
HETATM    3  C   UNL     1       3.297  -0.932  -0.186  1.00  0.00           C  
HETATM    4  C   UNL     1       4.846   0.603  -0.702  1.00  0.00           C  
HETATM    5  C   UNL     1       6.010   1.464  -0.396  1.00  0.00           C  
HETATM    6  C   UNL     1       7.531   3.054  -1.100  1.00  0.00           C  
HETATM    7  C   UNL     1       8.125   3.028   0.160  1.00  0.00           C  
HETATM    8  C   UNL     1       4.249   0.599  -1.909  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.829  -2.720  -0.368  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.289  -2.854  -0.809  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.683  -1.055  -0.085  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.533   5.249   0.176  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.065   3.237  -1.088  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.081   2.071  -1.224  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.619  -3.954  -0.979  1.00  0.00           C  
HETATM   16  C   UNL     1       1.728  -3.778  -0.540  1.00  0.00           C  
HETATM   17  C   UNL     1       2.745  -1.299   4.350  1.00  0.00           C  
HETATM   18  C   UNL     1       2.368  -1.024   2.893  1.00  0.00           C  
HETATM   19  C   UNL     1       3.028  -2.068   1.990  1.00  0.00           C  
HETATM   20  N   UNL     1       4.315  -0.227   0.197  1.00  0.00           N  
HETATM   21  N   UNL     1       8.023   3.889  -2.091  1.00  0.00           N  
HETATM   22  C   UNL     1       7.598   2.174   1.124  1.00  0.00           C  
HETATM   23  N   UNL     1       8.156   2.116   2.392  1.00  0.00           N  
HETATM   24  N   UNL     1       6.550   1.414   0.814  1.00  0.00           N  
HETATM   25  S   UNL     1       2.920  -0.558  -1.865  1.00  0.00           S  
HETATM   26  C   UNL     1       1.528  -2.549   0.076  1.00  0.00           C  
HETATM   27  C   UNL     1       0.250  -2.015   0.158  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.199  -2.155  -0.284  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.546  -2.284  -0.704  1.00  0.00           C  
HETATM   30  S   UNL     1      -6.281  -0.325   0.051  1.00  0.00           S  
HETATM   31  O   UNL     1      -6.973  -0.650  -1.147  1.00  0.00           O  
HETATM   32  O   UNL     1      -6.766  -0.659   1.344  1.00  0.00           O  
HETATM   33  N   UNL     1      -6.071   1.318   0.039  1.00  0.00           N  
HETATM   34  C   UNL     1      -5.871   2.062   1.292  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.864   3.229   1.329  1.00  0.00           C  
HETATM   36  N   UNL     1      -6.723   4.026   0.104  1.00  0.00           N  
HETATM   37  N   UNL     1      -3.634  -0.416   0.397  1.00  0.00           N  
HETATM   38  C   UNL     1      -2.419  -0.919   0.321  1.00  0.00           C  
HETATM   39  C   UNL     1       0.656  -4.477  -1.062  1.00  0.00           C  
HETATM   40  C   UNL     1       3.117  -4.357  -0.629  1.00  0.00           C  
HETATM   41  H   UNL     1       8.974   3.656   0.383  1.00  0.00           H  
HETATM   42  H   UNL     1       4.536   1.201  -2.759  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.153  -3.812  -1.288  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.589   4.984   0.224  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.260   5.815   1.066  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.352   5.858  -0.711  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.004   3.870  -1.973  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.079   2.849  -0.988  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.397   1.418  -2.037  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.082   2.457  -1.428  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.455  -4.503  -1.388  1.00  0.00           H  
HETATM   52  H   UNL     1       3.828  -1.243   4.462  1.00  0.00           H  
HETATM   53  H   UNL     1       2.275  -0.555   4.994  1.00  0.00           H  
HETATM   54  H   UNL     1       2.401  -2.293   4.633  1.00  0.00           H  
HETATM   55  H   UNL     1       1.286  -1.079   2.781  1.00  0.00           H  
HETATM   56  H   UNL     1       2.713  -0.029   2.610  1.00  0.00           H  
HETATM   57  H   UNL     1       2.723  -3.066   2.305  1.00  0.00           H  
HETATM   58  H   UNL     1       4.112  -1.980   2.065  1.00  0.00           H  
HETATM   59  H   UNL     1       7.605   3.902  -2.966  1.00  0.00           H  
HETATM   60  H   UNL     1       8.785   4.461  -1.909  1.00  0.00           H  
HETATM   61  H   UNL     1       8.920   2.673   2.611  1.00  0.00           H  
HETATM   62  H   UNL     1       7.784   1.519   3.059  1.00  0.00           H  
HETATM   63  H   UNL     1       0.093  -1.056   0.629  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.411  -2.793  -1.103  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.049   1.403   2.142  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.851   2.444   1.332  1.00  0.00           H  
HETATM   67  H   UNL     1      -7.880   2.840   1.396  1.00  0.00           H  
HETATM   68  H   UNL     1      -6.656   3.855   2.197  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.585  -0.368   0.731  1.00  0.00           H  
HETATM   70  H   UNL     1       0.817  -5.432  -1.540  1.00  0.00           H  
HETATM   71  H   UNL     1       3.321  -4.951   0.261  1.00  0.00           H  
HETATM   72  H   UNL     1       3.191  -4.990  -1.513  1.00  0.00           H  
HETATM   73  H   UNL     1       3.844  -3.548  -0.701  1.00  0.00           H  
CONECT    1   26   19    3                                            
CONECT    2    6    6    5                                            
CONECT    3   20   20    1   25                                       
CONECT    4    5   20    8    8                                       
CONECT    5   24   24    2    4                                       
CONECT    6    7   21    2    2                                       
CONECT    7   22   22    6   41                                       
CONECT    8    4    4   25   42                                       
CONECT    9   15   15   27   28                                       
CONECT   10   28   28   29   43                                       
CONECT   11   29   29   37   30                                       
CONECT   12   36   44   45   46                                       
CONECT   13   14   36   47   48                                       
CONECT   14   13   33   49   50                                       
CONECT   15   39    9    9   51                                       
CONECT   16   40   39   39   26                                       
CONECT   17   18   52   53   54                                       
CONECT   18   19   17   55   56                                       
CONECT   19    1   18   57   58                                       
CONECT   20    4    3    3                                            
CONECT   21    6   59   60                                            
CONECT   22   23    7    7   24                                       
CONECT   23   22   61   62                                            
CONECT   24   22    5    5                                            
CONECT   25    3    8                                                 
CONECT   26   16    1   27   27                                       
CONECT   27   26   26    9   63                                       
CONECT   28    9   10   10   38                                       
CONECT   29   10   11   11   64                                       
CONECT   30   11   33   32   32                                       
CONECT   30   31   31                                                 
CONECT   31   30   30                                                 
CONECT   32   30   30                                                 
CONECT   33   14   34   30                                            
CONECT   34   33   35   65   66                                       
CONECT   35   36   34   67   68                                       
CONECT   36   12   13   35                                            
CONECT   37   38   38   11                                            
CONECT   38   28   37   37   69                                       
CONECT   39   16   16   15   70                                       
CONECT   40   16   71   72   73                                       
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   17                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   19                                                      
CONECT   58   19                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   27                                                      
CONECT   64   29                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
CONECT   71   40                                                      
CONECT   72   40                                                      
CONECT   73   40                                                      
MASTER        0    0    0    0    0    0    0    0   73    0   73    0
END
