COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.686  -1.263  -0.516  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.340  -2.446  -0.790  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.687  -2.578  -0.503  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.387  -1.525   0.060  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.744  -0.336   0.337  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.385  -0.199   0.056  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.689   1.073   0.351  1.00  0.00           C  
HETATM    8  N   UNL     1      -4.089   1.980   1.198  1.00  0.00           N  
HETATM    9  N   UNL     1      -3.156   3.026   1.185  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.193   2.701   0.299  1.00  0.00           C  
HETATM   11  S   UNL     1      -0.817   3.642  -0.089  1.00  0.00           S  
HETATM   12  N   UNL     1      -2.505   1.496  -0.219  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.726   0.766  -1.222  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.631  -0.045  -0.527  1.00  0.00           C  
HETATM   15  C   UNL     1       0.170  -0.822  -1.573  1.00  0.00           C  
HETATM   16  C   UNL     1       1.325  -1.556  -0.889  1.00  0.00           C  
HETATM   17  C   UNL     1       2.023  -2.440  -1.890  1.00  0.00           C  
HETATM   18  O   UNL     1       1.343  -3.415  -2.513  1.00  0.00           O  
HETATM   19  O   UNL     1       3.194  -2.270  -2.133  1.00  0.00           O  
HETATM   20  N   UNL     1       2.279  -0.576  -0.353  1.00  0.00           N  
HETATM   21  C   UNL     1       3.329  -1.238   0.433  1.00  0.00           C  
HETATM   22  C   UNL     1       2.747  -1.734   1.732  1.00  0.00           C  
HETATM   23  C   UNL     1       2.289  -2.978   1.970  1.00  0.00           C  
HETATM   24  N   UNL     1       1.853  -2.998   3.267  1.00  0.00           N  
HETATM   25  C   UNL     1       2.060  -1.765   3.777  1.00  0.00           C  
HETATM   26  N   UNL     1       2.599  -1.015   2.855  1.00  0.00           N  
HETATM   27  C   UNL     1       2.861   0.236  -1.430  1.00  0.00           C  
HETATM   28  C   UNL     1       3.494   1.471  -0.842  1.00  0.00           C  
HETATM   29  C   UNL     1       4.797   1.624  -0.539  1.00  0.00           C  
HETATM   30  N   UNL     1       4.940   2.888  -0.034  1.00  0.00           N  
HETATM   31  C   UNL     1       3.719   3.464  -0.046  1.00  0.00           C  
HETATM   32  N   UNL     1       2.860   2.612  -0.535  1.00  0.00           N  
HETATM   33  H   UNL     1      -2.635  -1.161  -0.741  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.800  -3.272  -1.229  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.195  -3.506  -0.719  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.438  -1.634   0.281  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.291   0.485   0.776  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.196   3.837   1.717  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.384   0.092  -1.773  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.270   1.474  -1.914  1.00  0.00           H  
HETATM   41  H   UNL     1       0.033   0.629   0.013  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.087  -0.744   0.175  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.480  -1.546  -2.064  1.00  0.00           H  
HETATM   44  H   UNL     1       0.568  -0.129  -2.314  1.00  0.00           H  
HETATM   45  H   UNL     1       0.936  -2.167  -0.074  1.00  0.00           H  
HETATM   46  H   UNL     1       1.833  -3.956  -3.147  1.00  0.00           H  
HETATM   47  H   UNL     1       3.728  -2.080  -0.131  1.00  0.00           H  
HETATM   48  H   UNL     1       4.129  -0.528   0.641  1.00  0.00           H  
HETATM   49  H   UNL     1       2.270  -3.801   1.271  1.00  0.00           H  
HETATM   50  H   UNL     1       1.468  -3.756   3.733  1.00  0.00           H  
HETATM   51  H   UNL     1       1.824  -1.452   4.784  1.00  0.00           H  
HETATM   52  H   UNL     1       3.618  -0.346  -1.955  1.00  0.00           H  
HETATM   53  H   UNL     1       2.077   0.527  -2.129  1.00  0.00           H  
HETATM   54  H   UNL     1       5.579   0.891  -0.670  1.00  0.00           H  
HETATM   55  H   UNL     1       5.765   3.295   0.275  1.00  0.00           H  
HETATM   56  H   UNL     1       3.491   4.465   0.289  1.00  0.00           H  
CONECT    1    6    6    2   33                                       
CONECT    2    3    3    1   34                                       
CONECT    3    4    2    2   35                                       
CONECT    4    5    5    3   36                                       
CONECT    5    4    4    6   37                                       
CONECT    6    5    7    1    1                                       
CONECT    7   12    6    8    8                                       
CONECT    8    9    7    7                                            
CONECT    9   10    8   38                                            
CONECT   10   11   11   12    9                                       
CONECT   11   10   10                                                 
CONECT   12   13   10    7                                            
CONECT   13   14   12   39   40                                       
CONECT   14   15   13   41   42                                       
CONECT   15   16   14   43   44                                       
CONECT   16   20   17   15   45                                       
CONECT   17   19   19   18   16                                       
CONECT   18   17   46                                                 
CONECT   19   17   17                                                 
CONECT   20   21   27   16                                            
CONECT   21   22   20   47   48                                       
CONECT   22   26   23   23   21                                       
CONECT   23   24   22   22   49                                       
CONECT   24   25   23   50                                            
CONECT   25   26   26   24   51                                       
CONECT   26   25   25   22                                            
CONECT   27   28   20   52   53                                       
CONECT   28   32   27   29   29                                       
CONECT   29   30   28   28   54                                       
CONECT   30   31   29   55                                            
CONECT   31   32   32   30   56                                       
CONECT   32   31   31   28                                            
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    9                                                      
CONECT   39   13                                                      
CONECT   40   13                                                      
CONECT   41   14                                                      
CONECT   42   14                                                      
CONECT   43   15                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   21                                                      
CONECT   48   21                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   27                                                      
CONECT   53   27                                                      
CONECT   54   29                                                      
CONECT   55   30                                                      
CONECT   56   31                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
