COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       4.324  -1.932  -0.024  1.00  0.00           S  
HETATM    2  C   UNL     1       6.813   1.956  -1.639  1.00  0.00           C  
HETATM    3  C   UNL     1       7.371   2.224  -0.403  1.00  0.00           C  
HETATM    4  C   UNL     1       6.819   1.674   0.739  1.00  0.00           C  
HETATM    5  C   UNL     1       5.145   0.596  -0.590  1.00  0.00           C  
HETATM    6  C   UNL     1       3.932  -0.292  -0.692  1.00  0.00           C  
HETATM    7  C   UNL     1       2.798   0.314   0.095  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.800   0.852  -0.428  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.189   2.288   0.494  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.860  -0.332  -1.937  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.670   0.637  -1.126  1.00  0.00           C  
HETATM   12  C   UNL     1       5.700   1.142  -1.732  1.00  0.00           C  
HETATM   13  N   UNL     1       1.523   0.101  -0.287  1.00  0.00           N  
HETATM   14  O   UNL     1       4.715  -1.668   1.423  1.00  0.00           O  
HETATM   15  N   UNL     1      -1.912   1.442   0.331  1.00  0.00           N  
HETATM   16  O   UNL     1       3.150  -2.727   0.070  1.00  0.00           O  
HETATM   17  S   UNL     1      -1.357  -0.781  -1.016  1.00  0.00           S  
HETATM   18  O   UNL     1       5.509  -2.443  -0.619  1.00  0.00           O  
HETATM   19  O   UNL     1       3.034   0.992   1.072  1.00  0.00           O  
HETATM   20  C   UNL     1       5.710   0.855   0.645  1.00  0.00           C  
HETATM   21  OXT UNL     1      -0.913   0.127   2.477  1.00  0.00           O  
HETATM   22  O   UNL     1       0.684  -1.243   1.801  1.00  0.00           O  
HETATM   23  O   UNL     1      -4.628   2.014   1.594  1.00  0.00           O  
HETATM   24  OXT UNL     1      -4.594   3.410  -0.132  1.00  0.00           O  
HETATM   25  CA  UNL     1       0.422   0.690   0.478  1.00  0.00           C  
HETATM   26  C   UNL     1       0.074  -0.213   1.634  1.00  0.00           C  
HETATM   27  CA  UNL     1      -3.213   1.393  -0.154  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.136   0.754  -1.456  1.00  0.00           C  
HETATM   29  H   UNL     1       7.245   2.386  -2.530  1.00  0.00           H  
HETATM   30  H   UNL     1       8.238   2.864  -0.329  1.00  0.00           H  
HETATM   31  H   UNL     1       7.256   1.883   1.705  1.00  0.00           H  
HETATM   32  H   UNL     1       3.638  -0.387  -1.738  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.550   1.488  -1.277  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.450  -1.228  -2.128  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.582   0.130  -2.884  1.00  0.00           H  
HETATM   36  H   UNL     1       5.259   0.939  -2.697  1.00  0.00           H  
HETATM   37  H   UNL     1       1.335  -0.441  -1.069  1.00  0.00           H  
HETATM   38  H   UNL     1       5.276   0.428   1.537  1.00  0.00           H  
HETATM   39  HXT UNL     1      -1.100  -0.484   3.203  1.00  0.00           H  
HETATM   40  HXT UNL     1      -5.234   3.966   0.332  1.00  0.00           H  
HETATM   41  HA  UNL     1       0.724   1.666   0.858  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.276   0.646  -2.532  1.00  0.00           H  
HETATM   43  N   UNL     1      -5.879  -0.299  -0.759  1.00  0.00           N1+
HETATM   44  H   UNL     1      -5.503   1.730  -1.138  1.00  0.00           H  
HETATM   45  H   UNL     1       4.955  -2.464   1.917  1.00  0.00           H  
HETATM   46  C   UNL     1      -6.461  -0.020   0.391  1.00  0.00           C  
HETATM   47  C   UNL     1      -7.171  -0.987   1.077  1.00  0.00           C  
HETATM   48  C   UNL     1      -7.266  -2.263   0.541  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.641  -2.518  -0.670  1.00  0.00           C  
HETATM   50  C   UNL     1      -5.952  -1.499  -1.301  1.00  0.00           C  
HETATM   51  H   UNL     1      -6.383   0.976   0.801  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.645  -0.753   2.018  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.813  -3.039   1.055  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.693  -3.500  -1.116  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.463  -1.689  -2.244  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.735   1.872   1.182  1.00  0.00           H  
CONECT    1   18   18    6   16                                       
CONECT    1   16   14                                                 
CONECT    2   12    3    3   29                                       
CONECT    3    2    2    4   30                                       
CONECT    4   20   20    3   31                                       
CONECT    5    6   12   12   20                                       
CONECT    6    7    1    5   32                                       
CONECT    7   13   19   19    6                                       
CONECT    8   25   15   17   33                                       
CONECT    9   23   23   27   24                                       
CONECT   10   17   11   34   35                                       
CONECT   11   10   27   27   28                                       
CONECT   12    5    5    2   36                                       
CONECT   13   25    7   37                                            
CONECT   14    1   45                                                 
CONECT   15    8   27   56                                            
CONECT   16    1    1                                                 
CONECT   17    8   10                                                 
CONECT   18    1    1                                                 
CONECT   19    7    7                                                 
CONECT   20    5    4    4   38                                       
CONECT   21   26   39                                                 
CONECT   22   26   26                                                 
CONECT   23    9    9                                                 
CONECT   24    9   40                                                 
CONECT   25   26    8   13   41                                       
CONECT   26   22   22   21   25                                       
CONECT   27   15    9   11   11                                       
CONECT   28   11   42   43   44                                       
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   10                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   24                                                      
CONECT   41   25                                                      
CONECT   42   28                                                      
CONECT   43   28   46   50   50                                       
CONECT   44   28                                                      
CONECT   45   14                                                      
CONECT   46   43   47   47   51                                       
CONECT   47   46   46   48   52                                       
CONECT   48   47   49   49   53                                       
CONECT   49   48   48   50   54                                       
CONECT   50   49   43   43   55                                       
CONECT   51   46                                                      
CONECT   52   47                                                      
CONECT   53   48                                                      
CONECT   54   49                                                      
CONECT   55   50                                                      
CONECT   56   15                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
