COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -1.916   0.532  -0.580  1.00  0.00           O  
HETATM    2  C   UNL     1       0.554   5.525   1.711  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.065   2.123   0.481  1.00  0.00           C  
HETATM    4  O   UNL     1       1.461  -0.451  -2.571  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.161   0.994   0.515  1.00  0.00           C  
HETATM    6  N   UNL     1      -3.837  -0.567  -0.868  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.481   0.698   1.179  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.307  -0.187   0.282  1.00  0.00           C  
HETATM    9  N   UNL     1      -4.553  -1.385  -1.742  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.640  -0.617   0.706  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.390  -1.446  -0.160  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.663  -1.871   0.218  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.178  -1.477   1.433  1.00  0.00           C  
HETATM   14  N   UNL     1       3.540  -0.467  -1.242  1.00  0.00           N  
HETATM   15  C   UNL     1      -7.443  -0.662   2.284  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.183  -0.230   1.932  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.790  -1.834  -1.442  1.00  0.00           C  
HETATM   18  S   UNL     1       2.481   0.438  -2.136  1.00  0.00           S  
HETATM   19  O   UNL     1       3.269   1.213  -3.029  1.00  0.00           O  
HETATM   20  C   UNL     1       3.110  -1.721  -0.602  1.00  0.00           C  
HETATM   21  C   UNL     1       3.357  -1.588   0.899  1.00  0.00           C  
HETATM   22  C   UNL     1       4.769  -1.953   1.281  1.00  0.00           C  
HETATM   23  C   UNL     1       4.943  -2.492   2.554  1.00  0.00           C  
HETATM   24  C   UNL     1       6.197  -2.827   3.016  1.00  0.00           C  
HETATM   25  C   UNL     1       7.302  -2.622   2.211  1.00  0.00           C  
HETATM   26  C   UNL     1       7.134  -2.102   0.945  1.00  0.00           C  
HETATM   27  C   UNL     1       5.866  -1.785   0.470  1.00  0.00           C  
HETATM   28  C   UNL     1       5.766  -1.318  -0.956  1.00  0.00           C  
HETATM   29  C   UNL     1       4.931  -0.045  -1.071  1.00  0.00           C  
HETATM   30  C   UNL     1       1.710   1.578  -1.036  1.00  0.00           C  
HETATM   31  C   UNL     1       0.543   1.227  -0.386  1.00  0.00           C  
HETATM   32  C   UNL     1       0.505   3.376   0.693  1.00  0.00           C  
HETATM   33  O   UNL     1      -0.086   4.259   1.542  1.00  0.00           O  
HETATM   34  C   UNL     1       1.676   3.721   0.038  1.00  0.00           C  
HETATM   35  C   UNL     1       2.276   2.822  -0.824  1.00  0.00           C  
HETATM   36  N   UNL     1      -1.253   1.772   1.136  1.00  0.00           N  
HETATM   37  O   UNL     1      -6.398  -2.546  -2.222  1.00  0.00           O  
HETATM   38  H   UNL     1      -0.019   6.132   2.411  1.00  0.00           H  
HETATM   39  H   UNL     1       1.561   5.374   2.100  1.00  0.00           H  
HETATM   40  H   UNL     1       0.610   6.036   0.749  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.304   0.190   2.127  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.014   1.631   1.360  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.152  -1.638  -2.588  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.242  -2.504  -0.438  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.164  -1.804   1.727  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.864  -0.363   3.233  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.619   0.403   2.601  1.00  0.00           H  
HETATM   48  H   UNL     1       2.048  -1.885  -0.788  1.00  0.00           H  
HETATM   49  H   UNL     1       3.688  -2.556  -0.999  1.00  0.00           H  
HETATM   50  H   UNL     1       3.166  -0.558   1.198  1.00  0.00           H  
HETATM   51  H   UNL     1       2.667  -2.243   1.431  1.00  0.00           H  
HETATM   52  H   UNL     1       4.083  -2.649   3.187  1.00  0.00           H  
HETATM   53  H   UNL     1       6.316  -3.247   4.003  1.00  0.00           H  
HETATM   54  H   UNL     1       8.290  -2.867   2.571  1.00  0.00           H  
HETATM   55  H   UNL     1       7.996  -1.939   0.316  1.00  0.00           H  
HETATM   56  H   UNL     1       6.768  -1.122  -1.338  1.00  0.00           H  
HETATM   57  H   UNL     1       5.302  -2.101  -1.556  1.00  0.00           H  
HETATM   58  H   UNL     1       5.255   0.538  -1.934  1.00  0.00           H  
HETATM   59  H   UNL     1       5.026   0.548  -0.162  1.00  0.00           H  
HETATM   60  H   UNL     1       0.103   0.254  -0.552  1.00  0.00           H  
HETATM   61  H   UNL     1       2.120   4.692   0.201  1.00  0.00           H  
HETATM   62  H   UNL     1       3.189   3.092  -1.334  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.421   2.088   2.038  1.00  0.00           H  
CONECT    1    5    5                                                 
CONECT    2   33   38   39   40                                       
CONECT    3   36   32   32   31                                       
CONECT    4   18   18                                                 
CONECT    5    7   36    1    1                                       
CONECT    6    8    8    9                                            
CONECT    7    5    8   41   42                                       
CONECT    8    7    6    6   10                                       
CONECT    9    6   17   43                                            
CONECT   10    8   16   16   11                                       
CONECT   11   10   17   12   12                                       
CONECT   12   11   11   13   44                                       
CONECT   13   15   15   12   45                                       
CONECT   14   18   29   20                                            
CONECT   15   16   13   13   46                                       
CONECT   16   10   10   15   47                                       
CONECT   17    9   11   37   37                                       
CONECT   18    4    4   30   19                                       
CONECT   18   19   14                                                 
CONECT   19   18   18                                                 
CONECT   20   14   21   48   49                                       
CONECT   21   20   22   50   51                                       
CONECT   22   27   21   23   23                                       
CONECT   23   22   22   24   52                                       
CONECT   24   25   25   23   53                                       
CONECT   25   26   24   24   54                                       
CONECT   26   27   27   25   55                                       
CONECT   27   28   26   26   22                                       
CONECT   28   29   27   56   57                                       
CONECT   29   28   14   58   59                                       
CONECT   30   31   31   35   18                                       
CONECT   31    3   30   30   60                                       
CONECT   32   33    3    3   34                                       
CONECT   33    2   32                                                 
CONECT   34   32   35   35   61                                       
CONECT   35   34   34   30   62                                       
CONECT   36    3    5   63                                            
CONECT   37   17   17                                                 
CONECT   38    2                                                      
CONECT   39    2                                                      
CONECT   40    2                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    9                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   15                                                      
CONECT   47   16                                                      
CONECT   48   20                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   23                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   28                                                      
CONECT   57   28                                                      
CONECT   58   29                                                      
CONECT   59   29                                                      
CONECT   60   31                                                      
CONECT   61   34                                                      
CONECT   62   35                                                      
CONECT   63   36                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
