COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.027   1.087   0.254  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.234   0.954  -0.677  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.233  -0.035  -0.066  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.500  -1.345   0.244  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.274  -1.038   1.107  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.385  -0.178   0.397  1.00  0.00           O  
HETATM    7  O   UNL     1      -1.104   2.029  -0.294  1.00  0.00           O  
HETATM    8  N   UNL     1      -3.875   2.261  -0.839  1.00  0.00           N  
HETATM    9  C   UNL     1      -3.421   3.124  -1.770  1.00  0.00           C  
HETATM   10  O   UNL     1      -2.481   2.818  -2.473  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.080   4.469  -1.936  1.00  0.00           C  
HETATM   12  O   UNL     1      -5.292  -0.282  -0.993  1.00  0.00           O  
HETATM   13  O   UNL     1      -4.375  -2.228   0.948  1.00  0.00           O  
HETATM   14  S   UNL     1      -4.693  -3.378   0.003  1.00  0.00           S  
HETATM   15  O   UNL     1      -4.891  -2.786  -1.273  1.00  0.00           O  
HETATM   16  O   UNL     1      -5.637  -4.190   0.688  1.00  0.00           O  
HETATM   17  O   UNL     1      -3.435  -4.224  -0.124  1.00  0.00           O  
HETATM   18  C   UNL     1      -1.553  -2.344   1.449  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.460  -2.068   2.327  1.00  0.00           O  
HETATM   20  CA  UNL     1       0.566   3.606   0.548  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.068   2.205   0.675  1.00  0.00           C  
HETATM   22  C   UNL     1       1.121   1.251   0.385  1.00  0.00           C  
HETATM   23  C   UNL     1       2.302   2.019   1.029  1.00  0.00           C  
HETATM   24  N   UNL     1       2.020   3.444   0.754  1.00  0.00           N1+
HETATM   25  C   UNL     1      -0.008   4.546   1.610  1.00  0.00           C  
HETATM   26  O   UNL     1       0.515   5.861   1.415  1.00  0.00           O  
HETATM   27  C   UNL     1       3.605   1.607   0.392  1.00  0.00           C  
HETATM   28  O   UNL     1       4.281   2.429  -0.190  1.00  0.00           O  
HETATM   29  N   UNL     1       4.017   0.327   0.470  1.00  0.00           N  
HETATM   30  C   UNL     1       5.284  -0.073  -0.149  1.00  0.00           C  
HETATM   31  C   UNL     1       5.515  -1.568   0.083  1.00  0.00           C  
HETATM   32  S   UNL     1       7.082  -2.064  -0.683  1.00  0.00           S  
HETATM   33  O   UNL     1       8.199  -1.531   0.017  1.00  0.00           O  
HETATM   34  O   UNL     1       7.001  -2.045  -2.101  1.00  0.00           O  
HETATM   35  O   UNL     1       7.167  -3.551  -0.369  1.00  0.00           O  
HETATM   36  H   UNL     1      -2.363   1.435   1.231  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.906   0.586  -1.649  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.643   0.381   0.855  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.181  -1.813  -0.688  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.593  -0.549   2.028  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.627   2.506  -0.277  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.580   5.023  -2.730  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.129   4.329  -2.197  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.008   5.027  -1.003  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.912  -0.882  -0.556  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.647  -4.951  -0.725  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.248  -3.026   1.937  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.177  -2.801   0.533  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.034  -2.915   2.517  1.00  0.00           H  
HETATM   50  HA  UNL     1       0.375   4.009  -0.446  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.453   2.045   1.682  1.00  0.00           H  
HETATM   52  H   UNL     1       0.974   0.285   0.869  1.00  0.00           H  
HETATM   53  H   UNL     1       1.272   1.130  -0.688  1.00  0.00           H  
HETATM   54  H   UNL     1       2.332   1.839   2.103  1.00  0.00           H  
HETATM   55  H1  UNL     1       2.314   4.006   1.538  1.00  0.00           H  
HETATM   56  H2  UNL     1       2.515   3.734  -0.076  1.00  0.00           H  
HETATM   57  H1  UNL     1      -1.095   4.571   1.524  1.00  0.00           H  
HETATM   58  H2  UNL     1       0.270   4.188   2.601  1.00  0.00           H  
HETATM   59  H   UNL     1       0.129   6.421   2.102  1.00  0.00           H  
HETATM   60  H   UNL     1       3.476  -0.330   0.935  1.00  0.00           H  
HETATM   61  H   UNL     1       5.244   0.126  -1.220  1.00  0.00           H  
HETATM   62  H   UNL     1       6.101   0.494   0.296  1.00  0.00           H  
HETATM   63  H   UNL     1       5.554  -1.767   1.154  1.00  0.00           H  
HETATM   64  H   UNL     1       4.697  -2.135  -0.362  1.00  0.00           H  
HETATM   65  H   UNL     1       7.992  -3.872  -0.758  1.00  0.00           H  
CONECT    1    2    6    7   36                                       
CONECT    2    1    3    8   37                                       
CONECT    3    2    4   12   38                                       
CONECT    4    3    5   13   39                                       
CONECT    5    4    6   18   40                                       
CONECT    6    1    5                                                 
CONECT    7    1   21                                                 
CONECT    8    2    9   41                                            
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   42   43   44                                       
CONECT   12    3   45                                                 
CONECT   13    4   14                                                 
CONECT   14   13   15   15   16                                       
CONECT   14   16   17                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   46                                                 
CONECT   18    5   19   47   48                                       
CONECT   19   18   49                                                 
CONECT   20   21   24   25   50                                       
CONECT   21    7   20   22   51                                       
CONECT   22   21   23   52   53                                       
CONECT   23   22   24   27   54                                       
CONECT   24   20   23   55   56                                       
CONECT   25   20   26   57   58                                       
CONECT   26   25   59                                                 
CONECT   27   23   28   28   29                                       
CONECT   28   27   27                                                 
CONECT   29   27   30   60                                            
CONECT   30   29   31   61   62                                       
CONECT   31   30   32   63   64                                       
CONECT   32   31   33   33   34                                       
CONECT   32   34   35                                                 
CONECT   33   32   32                                                 
CONECT   34   32   32                                                 
CONECT   35   32   65                                                 
CONECT   36    1                                                      
CONECT   37    2                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   24                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   31                                                      
CONECT   64   31                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
