COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.594  -0.755   1.675  1.00  0.00           C  
HETATM    2  N   UNL     1       0.469   0.277   0.752  1.00  0.00           N  
HETATM    3  O   UNL     1      -1.573  -1.916   2.026  1.00  0.00           O  
HETATM    4  CA  UNL     1      -0.624   0.400   1.719  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.750   1.315   1.246  1.00  0.00           C  
HETATM    6  C   UNL     1       2.596  -3.721  -0.831  1.00  0.00           C  
HETATM    7  C   UNL     1       4.233   3.190   0.142  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.728   0.746  -2.646  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.271   1.767  -0.929  1.00  0.00           C  
HETATM   10  O   UNL     1      -4.927  -0.885   0.595  1.00  0.00           O  
HETATM   11  O   UNL     1       1.906  -0.288   2.349  1.00  0.00           O  
HETATM   12  OXT UNL     1      -4.538  -1.677  -1.431  1.00  0.00           O  
HETATM   13  C   UNL     1       4.874  -0.429  -1.637  1.00  0.00           C  
HETATM   14  C   UNL     1       4.088  -1.529  -1.347  1.00  0.00           C  
HETATM   15  C   UNL     1       4.636   0.785  -1.021  1.00  0.00           C  
HETATM   16  O   UNL     1       2.282  -2.505  -0.151  1.00  0.00           O  
HETATM   17  O   UNL     1       3.373   2.105   0.499  1.00  0.00           O  
HETATM   18  S   UNL     1      -1.531   1.978  -0.447  1.00  0.00           S  
HETATM   19  C   UNL     1      -4.180  -0.964  -0.352  1.00  0.00           C  
HETATM   20  C   UNL     1       1.702  -0.073   1.169  1.00  0.00           C  
HETATM   21  C   UNL     1       3.052  -1.424  -0.434  1.00  0.00           C  
HETATM   22  C   UNL     1       3.605   0.912  -0.105  1.00  0.00           C  
HETATM   23  C   UNL     1       2.801  -0.197   0.197  1.00  0.00           C  
HETATM   24  CA  UNL     1      -2.848  -0.261  -0.320  1.00  0.00           C  
HETATM   25  N   UNL     1      -2.500   0.059   1.069  1.00  0.00           N  
HETATM   26  C   UNL     1      -2.946   1.038  -1.160  1.00  0.00           C  
HETATM   27  H   UNL     1       0.306   0.449  -0.189  1.00  0.00           H  
HETATM   28  HA  UNL     1      -0.272   0.631   2.724  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.122   2.033   1.977  1.00  0.00           H  
HETATM   30  H   UNL     1       1.906  -4.503  -0.514  1.00  0.00           H  
HETATM   31  H   UNL     1       2.504  -3.570  -1.907  1.00  0.00           H  
HETATM   32  H   UNL     1       3.617  -4.018  -0.592  1.00  0.00           H  
HETATM   33  H   UNL     1       5.263   2.933   0.388  1.00  0.00           H  
HETATM   34  H   UNL     1       4.151   3.382  -0.927  1.00  0.00           H  
HETATM   35  H   UNL     1       3.940   4.082   0.696  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.723   1.683  -3.204  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.772   0.239  -2.781  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.532   0.109  -3.014  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.094   1.142  -1.276  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.392   1.971   0.134  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.270   2.706  -1.482  1.00  0.00           H  
HETATM   42  HXT UNL     1      -5.402  -2.110  -1.405  1.00  0.00           H  
HETATM   43  H   UNL     1       5.683  -0.521  -2.347  1.00  0.00           H  
HETATM   44  H   UNL     1       4.283  -2.473  -1.834  1.00  0.00           H  
HETATM   45  H   UNL     1       5.256   1.638  -1.255  1.00  0.00           H  
HETATM   46  HA  UNL     1      -2.085  -0.916  -0.741  1.00  0.00           H  
CONECT    1    3    3    4   25                                       
CONECT    2    4   20   27                                            
CONECT    3    1    1                                                 
CONECT    4    1    2    5   28                                       
CONECT    5    4   18   25   29                                       
CONECT    6   16   30   31   32                                       
CONECT    7   17   33   34   35                                       
CONECT    8   26   36   37   38                                       
CONECT    9   26   39   40   41                                       
CONECT   10   19   19                                                 
CONECT   11   20   20                                                 
CONECT   12   19   42                                                 
CONECT   13   14   14   15   43                                       
CONECT   14   13   13   21   44                                       
CONECT   15   13   22   22   45                                       
CONECT   16    6   21                                                 
CONECT   17    7   22                                                 
CONECT   18    5   26                                                 
CONECT   19   10   10   12   24                                       
CONECT   20    2   11   11   23                                       
CONECT   21   14   16   23   23                                       
CONECT   22   15   15   17   23                                       
CONECT   23   20   21   21   22                                       
CONECT   24   19   25   26   46                                       
CONECT   25    1    5   24                                            
CONECT   26    8    9   18   24                                       
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    6                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   24                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
