COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1       5.728  -2.001   1.195  1.00  0.00           C  
HETATM    2  N   UNL     1       4.464  -1.689   0.524  1.00  0.00           N  
HETATM    3  C   UNL     1       3.836  -2.638  -0.200  1.00  0.00           C  
HETATM    4  O   UNL     1       4.315  -3.753  -0.299  1.00  0.00           O  
HETATM    5  C   UNL     1       2.615  -2.325  -0.844  1.00  0.00           C  
HETATM    6  C   UNL     1       2.105  -1.081  -0.718  1.00  0.00           C  
HETATM    7  N   UNL     1       2.774  -0.147   0.026  1.00  0.00           N  
HETATM    8  C   UNL     1       2.218   1.201   0.168  1.00  0.00           C  
HETATM    9  O   UNL     1       0.822   1.139   0.533  1.00  0.00           O  
HETATM   10  C   UNL     1       0.236   2.399   0.163  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.210   2.187  -0.291  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.998   1.753   0.819  1.00  0.00           O  
HETATM   13  S   UNL     1      -3.462   1.509   0.480  1.00  0.00           S  
HETATM   14  O   UNL     1      -4.128   1.285   1.715  1.00  0.00           O  
HETATM   15  O   UNL     1      -3.839   2.533  -0.431  1.00  0.00           O  
HETATM   16  N   UNL     1      -3.541   0.084  -0.359  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.206  -1.073   0.245  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.847  -1.071   1.404  1.00  0.00           O  
HETATM   19  CA  UNL     1      -3.278  -2.370  -0.519  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.443  -3.378   0.148  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.728  -2.857  -0.562  1.00  0.00           C  
HETATM   22  O   UNL     1      -4.814  -4.023  -1.383  1.00  0.00           O  
HETATM   23  C   UNL     1       1.072   2.970  -0.998  1.00  0.00           C  
HETATM   24  O   UNL     1       1.617   4.242  -0.644  1.00  0.00           O  
HETATM   25  C   UNL     1       2.203   1.932  -1.198  1.00  0.00           C  
HETATM   26  O   UNL     1       3.452   2.580  -1.444  1.00  0.00           O  
HETATM   27  C   UNL     1       3.931  -0.458   0.637  1.00  0.00           C  
HETATM   28  O   UNL     1       4.508   0.387   1.294  1.00  0.00           O  
HETATM   29  H   UNL     1       5.999  -3.038   0.996  1.00  0.00           H  
HETATM   30  H   UNL     1       6.511  -1.342   0.820  1.00  0.00           H  
HETATM   31  H   UNL     1       5.615  -1.856   2.270  1.00  0.00           H  
HETATM   32  H   UNL     1       2.098  -3.071  -1.429  1.00  0.00           H  
HETATM   33  H   UNL     1       1.175  -0.824  -1.202  1.00  0.00           H  
HETATM   34  H   UNL     1       2.784   1.773   0.903  1.00  0.00           H  
HETATM   35  H   UNL     1       0.264   3.083   1.011  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.610   3.124  -0.676  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.237   1.430  -1.074  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.828   0.082  -1.286  1.00  0.00           H  
HETATM   39  HA  UNL     1      -2.917  -2.214  -1.535  1.00  0.00           H  
HETATM   40  H1  UNL     1      -2.758  -3.541   1.093  1.00  0.00           H  
HETATM   41  H2  UNL     1      -2.423  -4.238  -0.379  1.00  0.00           H  
HETATM   42  H1  UNL     1      -5.061  -3.098   0.447  1.00  0.00           H  
HETATM   43  H2  UNL     1      -5.362  -2.073  -0.976  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.707  -4.387  -1.457  1.00  0.00           H  
HETATM   45  H   UNL     1       0.465   3.052  -1.901  1.00  0.00           H  
HETATM   46  H   UNL     1       2.153   4.648  -1.339  1.00  0.00           H  
HETATM   47  H   UNL     1       1.959   1.242  -2.006  1.00  0.00           H  
HETATM   48  H   UNL     1       3.492   3.052  -2.287  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2   27    1    3                                            
CONECT    3    2    5    4    4                                       
CONECT    4    3    3                                                 
CONECT    5    6    6    3   32                                       
CONECT    6    7    5    5   33                                       
CONECT    7    8   27    6                                            
CONECT    8    9   25    7   34                                       
CONECT    9   10    8                                                 
CONECT   10   11    9   23   35                                       
CONECT   11   10   12   36   37                                       
CONECT   12   11   13                                                 
CONECT   13   16   12   15   15                                       
CONECT   13   14   14                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   17   13   38                                            
CONECT   17   19   18   18   16                                       
CONECT   18   17   17                                                 
CONECT   19   21   20   17   39                                       
CONECT   20   19   40   41                                            
CONECT   21   22   19   42   43                                       
CONECT   22   21   44                                                 
CONECT   23   10   24   25   45                                       
CONECT   24   23   46                                                 
CONECT   25   26   23    8   47                                       
CONECT   26   25   48                                                 
CONECT   27   28   28    7    2                                       
CONECT   28   27   27                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    5                                                      
CONECT   33    6                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   16                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
