COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.912   2.300   0.265  1.00  0.00           O  
HETATM    2  C   UNL     1       4.613  -0.515  -1.274  1.00  0.00           C  
HETATM    3  C   UNL     1       4.286   0.752  -0.911  1.00  0.00           C  
HETATM    4  C   UNL     1       3.864  -1.613  -0.812  1.00  0.00           C  
HETATM    5  C   UNL     1       3.203   1.020  -0.072  1.00  0.00           C  
HETATM    6  C   UNL     1       2.756  -1.394   0.041  1.00  0.00           C  
HETATM    7  C   UNL     1       2.421  -0.023   0.426  1.00  0.00           C  
HETATM    8  C   UNL     1       4.194  -2.927  -1.183  1.00  0.00           C  
HETATM    9  C   UNL     1       3.446  -3.967  -0.719  1.00  0.00           C  
HETATM   10  C   UNL     1       2.357  -3.747   0.120  1.00  0.00           C  
HETATM   11  C   UNL     1       2.009  -2.484   0.500  1.00  0.00           C  
HETATM   12  O   UNL     1      -1.994  -1.506   2.349  1.00  0.00           O  
HETATM   13  C   UNL     1      -2.043  -0.423   1.805  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.979   0.213   1.028  1.00  0.00           N  
HETATM   15  CA  UNL     1      -3.224  -0.390  -0.312  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.544  -1.117  -0.271  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.710  -2.118  -0.948  1.00  0.00           O1-
HETATM   18  OXT UNL     1      -5.445  -0.706   0.440  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.274   0.686  -1.432  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.634   1.386  -1.480  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.903   0.098  -2.795  1.00  0.00           C  
HETATM   22  S   UNL     1      -1.952   1.810  -0.794  1.00  0.00           S  
HETATM   23  C   UNL     1      -2.224   1.488   0.995  1.00  0.00           C  
HETATM   24  CA  UNL     1      -1.079   0.737   1.677  1.00  0.00           C  
HETATM   25  N   UNL     1       0.057   0.465   0.792  1.00  0.00           N  
HETATM   26  C   UNL     1       1.281   0.250   1.314  1.00  0.00           C  
HETATM   27  O   UNL     1       1.443   0.282   2.519  1.00  0.00           O  
HETATM   28  C   UNL     1       3.879   3.128  -0.384  1.00  0.00           C  
HETATM   29  C   UNL     1       3.606   4.594  -0.044  1.00  0.00           C  
HETATM   30  H   UNL     1       5.459  -0.682  -1.925  1.00  0.00           H  
HETATM   31  H   UNL     1       4.880   1.574  -1.282  1.00  0.00           H  
HETATM   32  H   UNL     1       5.036  -3.112  -1.834  1.00  0.00           H  
HETATM   33  H   UNL     1       3.701  -4.976  -1.006  1.00  0.00           H  
HETATM   34  H   UNL     1       1.779  -4.588   0.475  1.00  0.00           H  
HETATM   35  H   UNL     1       1.162  -2.327   1.151  1.00  0.00           H  
HETATM   36  HA  UNL     1      -2.432  -1.103  -0.540  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.580   2.239  -2.156  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.390   0.687  -1.835  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.899   1.732  -0.480  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.966  -0.452  -2.711  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.692  -0.577  -3.127  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.787   0.904  -3.519  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.648   2.323   1.554  1.00  0.00           H  
HETATM   44  HA  UNL     1      -0.779   1.167   2.633  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.072   0.439  -0.169  1.00  0.00           H  
HETATM   46  H   UNL     1       3.811   2.987  -1.463  1.00  0.00           H  
HETATM   47  H   UNL     1       4.878   2.855  -0.044  1.00  0.00           H  
HETATM   48  H   UNL     1       4.344   5.225  -0.539  1.00  0.00           H  
HETATM   49  H   UNL     1       2.607   4.866  -0.384  1.00  0.00           H  
HETATM   50  H   UNL     1       3.674   4.735   1.035  1.00  0.00           H  
CONECT    1    5   28                                                 
CONECT    2    3    3    4   30                                       
CONECT    3    2    2    5   31                                       
CONECT    4    2    6    6    8                                       
CONECT    5    1    3    7    7                                       
CONECT    6    4    4    7   11                                       
CONECT    7    5    5    6   26                                       
CONECT    8    4    9    9   32                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   11   11   34                                       
CONECT   11    6   10   10   35                                       
CONECT   12   13   13                                                 
CONECT   13   12   12   14   24                                       
CONECT   14   13   15   23                                            
CONECT   15   14   16   19   36                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16                                                      
CONECT   18   16   16                                                 
CONECT   19   15   20   21   22                                       
CONECT   20   19   37   38   39                                       
CONECT   21   19   40   41   42                                       
CONECT   22   19   23                                                 
CONECT   23   14   22   24   43                                       
CONECT   24   13   23   25   44                                       
CONECT   25   24   26   45                                            
CONECT   26    7   25   27   27                                       
CONECT   27   26   26                                                 
CONECT   28    1   29   46   47                                       
CONECT   29   28   48   49   50                                       
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   15                                                      
CONECT   37   20                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   28                                                      
CONECT   47   28                                                      
CONECT   48   29                                                      
CONECT   49   29                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
