COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -2.681  -2.900   0.451  1.00  0.00           S  
HETATM    2  C   UNL     1      -4.208  -2.024  -0.019  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.077  -0.572   0.447  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.213   0.251  -0.162  1.00  0.00           C  
HETATM    5  CA  UNL     1      -2.773   0.023   0.040  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.734   1.505   0.058  1.00  0.00           C  
HETATM    7  O   UNL     1      -2.502   2.093   1.095  1.00  0.00           O  
HETATM    8  OXT UNL     1      -2.956   2.199  -1.074  1.00  0.00           O  
HETATM    9  N   UNL     1      -1.711  -0.522  -0.314  1.00  0.00           N  
HETATM   10  C   UNL     1      -1.434  -1.945  -0.465  1.00  0.00           C  
HETATM   11  CA  UNL     1      -0.043  -2.256   0.090  1.00  0.00           C  
HETATM   12  C   UNL     1       0.293  -3.701  -0.176  1.00  0.00           C  
HETATM   13  O   UNL     1       1.260  -3.983  -0.843  1.00  0.00           O  
HETATM   14  N   UNL     1       0.947  -1.396  -0.563  1.00  0.00           N  
HETATM   15  C   UNL     1       2.106  -1.107   0.061  1.00  0.00           C  
HETATM   16  O   UNL     1       2.330  -1.559   1.164  1.00  0.00           O  
HETATM   17  C   UNL     1       3.125  -0.223  -0.612  1.00  0.00           C  
HETATM   18  C   UNL     1       4.339  -0.056   0.304  1.00  0.00           C  
HETATM   19  C   UNL     1       5.373   0.842  -0.379  1.00  0.00           C  
HETATM   20  CA  UNL     1       6.587   1.009   0.537  1.00  0.00           C  
HETATM   21  N   UNL     1       7.253  -0.289   0.709  1.00  0.00           N  
HETATM   22  C   UNL     1       7.550   1.990  -0.080  1.00  0.00           C  
HETATM   23  O   UNL     1       8.523   1.589  -0.675  1.00  0.00           O  
HETATM   24  OXT UNL     1       7.328   3.309   0.030  1.00  0.00           O  
HETATM   25  H   UNL     1      -4.333  -2.055  -1.101  1.00  0.00           H  
HETATM   26  H   UNL     1      -5.082   0.308  -1.242  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.168  -0.224   0.063  1.00  0.00           H  
HETATM   28  HXT UNL     1      -2.920   3.163  -1.013  1.00  0.00           H  
HETATM   29  H   UNL     1      -1.474  -2.214  -1.520  1.00  0.00           H  
HETATM   30  HA  UNL     1      -0.030  -2.072   1.165  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.331  -4.483   0.230  1.00  0.00           H  
HETATM   32  H   UNL     1       0.768  -1.034  -1.446  1.00  0.00           H  
HETATM   33  H   UNL     1       3.438  -0.679  -1.551  1.00  0.00           H  
HETATM   34  H   UNL     1       2.683   0.753  -0.811  1.00  0.00           H  
HETATM   35  H   UNL     1       4.026   0.400   1.243  1.00  0.00           H  
HETATM   36  H   UNL     1       4.781  -1.032   0.503  1.00  0.00           H  
HETATM   37  H   UNL     1       5.686   0.386  -1.318  1.00  0.00           H  
HETATM   38  H   UNL     1       4.931   1.818  -0.578  1.00  0.00           H  
HETATM   39  HA  UNL     1       6.261   1.382   1.508  1.00  0.00           H  
HETATM   40  H1  UNL     1       6.649  -0.946   1.180  1.00  0.00           H  
HETATM   41  H2  UNL     1       7.564  -0.656  -0.178  1.00  0.00           H  
HETATM   42  HXT UNL     1       7.973   3.899  -0.383  1.00  0.00           H  
HETATM   43  O   UNL     1      -5.195   1.590   0.399  1.00  0.00           O  
HETATM   44  C   UNL     1      -6.135   2.445  -0.034  1.00  0.00           C  
HETATM   45  O   UNL     1      -6.946   2.087  -0.854  1.00  0.00           O  
HETATM   46  C   UNL     1      -6.179   3.852   0.504  1.00  0.00           C  
HETATM   47  H   UNL     1      -5.562   4.499  -0.120  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.208   4.213   0.496  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.798   3.863   1.526  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.065  -2.492   0.465  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.157  -0.539   1.534  1.00  0.00           H  
CONECT    1   10    2                                                 
CONECT    2    1    3   25   50                                       
CONECT    3    5    2    4   51                                       
CONECT    4    3   26   27   43                                       
CONECT    5    9    9    6    3                                       
CONECT    6    7    7    8    5                                       
CONECT    7    6    6                                                 
CONECT    8    6   28                                                 
CONECT    9   10    5    5                                            
CONECT   10   11    9    1   29                                       
CONECT   11   12   14   10   30                                       
CONECT   12   13   13   11   31                                       
CONECT   13   12   12                                                 
CONECT   14   15   11   32                                            
CONECT   15   17   14   16   16                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   33   34                                       
CONECT   18   17   19   35   36                                       
CONECT   19   18   20   37   38                                       
CONECT   20   19   22   21   39                                       
CONECT   21   20   40   41                                            
CONECT   22   23   23   24   20                                       
CONECT   23   22   22                                                 
CONECT   24   22   42                                                 
CONECT   25    2                                                      
CONECT   26    4                                                      
CONECT   27    4                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   12                                                      
CONECT   32   14                                                      
CONECT   33   17                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   24                                                      
CONECT   43    4   44                                                 
CONECT   44   43   45   45   46                                       
CONECT   45   44   44                                                 
CONECT   46   44   47   48   49                                       
CONECT   47   46                                                      
CONECT   48   46                                                      
CONECT   49   46                                                      
CONECT   50    2                                                      
CONECT   51    3                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
