COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       1.043   0.292   1.732  1.00  0.00           O  
HETATM    2  C   UNL     1       0.832   0.026   0.567  1.00  0.00           C  
HETATM    3  C   UNL     1       1.983  -0.098  -0.398  1.00  0.00           C  
HETATM    4  C   UNL     1       3.298   0.156   0.342  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.431  -0.164   0.137  1.00  0.00           N  
HETATM    6  CA  UNL     1      -1.549  -0.049   1.077  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.746  -1.364   1.786  1.00  0.00           C  
HETATM    8  O   UNL     1      -1.027  -2.300   1.533  1.00  0.00           O  
HETATM    9  C   UNL     1      -2.823   0.313   0.311  1.00  0.00           C  
HETATM   10  S   UNL     1      -3.259  -0.995  -0.910  1.00  0.00           S  
HETATM   11  N   UNL     1      -4.016   0.274   1.203  1.00  0.00           N  
HETATM   12  CA  UNL     1      -5.251   0.158   0.422  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.741   1.541   0.079  1.00  0.00           C  
HETATM   14  O   UNL     1      -7.016   1.727  -0.297  1.00  0.00           O  
HETATM   15  OXT UNL     1      -4.986   2.482   0.142  1.00  0.00           O  
HETATM   16  C   UNL     1      -5.061  -0.640  -0.883  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.866  -1.940  -0.841  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.462   0.205  -2.094  1.00  0.00           C  
HETATM   19  H   UNL     1       1.994  -1.102  -0.823  1.00  0.00           H  
HETATM   20  H   UNL     1       1.868   0.634  -1.197  1.00  0.00           H  
HETATM   21  C   UNL     1       4.467   0.030  -0.638  1.00  0.00           C  
HETATM   22  H   UNL     1       3.287   1.160   0.767  1.00  0.00           H  
HETATM   23  H   UNL     1       3.414  -0.576   1.141  1.00  0.00           H  
HETATM   24  H   UNL     1      -0.599  -0.377  -0.794  1.00  0.00           H  
HETATM   25  HA  UNL     1      -1.331   0.729   1.808  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.531  -1.469   2.521  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.725   1.285  -0.173  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.941  -0.475   1.874  1.00  0.00           H  
HETATM   29  HA  UNL     1      -6.006  -0.339   1.031  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.285   2.632  -0.507  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.584  -2.514   0.042  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.930  -1.708  -0.799  1.00  0.00           H  
HETATM   33  H   UNL     1      -5.656  -2.526  -1.736  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.246  -0.347  -3.009  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.528   0.426  -2.046  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.897   1.137  -2.090  1.00  0.00           H  
HETATM   37  C   UNL     1       5.782   0.285   0.102  1.00  0.00           C  
HETATM   38  H   UNL     1       4.478  -0.973  -1.063  1.00  0.00           H  
HETATM   39  H   UNL     1       4.352   0.762  -1.437  1.00  0.00           H  
HETATM   40  H   UNL     1       5.771   1.289   0.527  1.00  0.00           H  
HETATM   41  H   UNL     1       5.897  -0.447   0.901  1.00  0.00           H  
HETATM   42  CA  UNL     1       6.951   0.159  -0.878  1.00  0.00           C  
HETATM   43  O   UNL     1       8.557   1.821  -0.012  1.00  0.00           O  
HETATM   44  N   UNL     1       7.038  -1.226  -1.360  1.00  0.00           N  
HETATM   45  HA  UNL     1       6.790   0.829  -1.723  1.00  0.00           H  
HETATM   46  C   UNL     1       8.233   0.530  -0.180  1.00  0.00           C  
HETATM   47  OXT UNL     1       8.971  -0.336   0.229  1.00  0.00           O  
HETATM   48  H   UNL     1       9.390   2.010   0.442  1.00  0.00           H  
HETATM   49  H1  UNL     1       7.761  -1.321  -2.057  1.00  0.00           H  
HETATM   50  H2  UNL     1       7.186  -1.867  -0.595  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   19   20                                       
CONECT    4    3   21   22   23                                       
CONECT    5    2   24    6                                            
CONECT    6    5    9   25    7                                       
CONECT    7    6    8    8   26                                       
CONECT    8    7    7                                                 
CONECT    9    6   10   27   11                                       
CONECT   10    9   16                                                 
CONECT   11    9   12   28                                            
CONECT   12   11   16   29   13                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13   30                                                 
CONECT   15   13   13                                                 
CONECT   16   10   12   18   17                                       
CONECT   17   16   31   32   33                                       
CONECT   18   16   34   35   36                                       
CONECT   19    3                                                      
CONECT   20    3                                                      
CONECT   21    4   37   38   39                                       
CONECT   22    4                                                      
CONECT   23    4                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    7                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   14                                                      
CONECT   31   17                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   18                                                      
CONECT   37   21   40   41   42                                       
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   37                                                      
CONECT   41   37                                                      
CONECT   42   37   46   44   45                                       
CONECT   43   46   48                                                 
CONECT   44   42   49   50                                            
CONECT   45   42                                                      
CONECT   46   42   43   47   47                                       
CONECT   47   46   46                                                 
CONECT   48   43                                                      
CONECT   49   44                                                      
CONECT   50   44                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
