COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.694 -10.375  -5.394  1.00  0.00           C  
HETATM    2  CA  UNL     1       2.412 -10.504  -4.589  1.00  0.00           C  
HETATM    3  C   UNL     1       1.691  -9.158  -4.426  1.00  0.00           C  
HETATM    4  C   UNL     1       2.530  -8.051  -3.769  1.00  0.00           C  
HETATM    5  C   UNL     1       1.774  -6.723  -3.693  1.00  0.00           C  
HETATM    6  C   UNL     1       2.570  -5.605  -3.042  1.00  0.00           C  
HETATM    7  N   UNL     1       1.849  -4.418  -2.993  1.00  0.00           N  
HETATM    8  C   UNL     1       2.407  -3.174  -2.429  1.00  0.00           C  
HETATM    9  C   UNL     1       2.667  -3.274  -0.916  1.00  0.00           C  
HETATM   10  N   UNL     1       2.741 -11.128  -3.308  1.00  0.00           N  
HETATM   11  O   UNL     1       3.720  -5.741  -2.631  1.00  0.00           O  
HETATM   12  C   UNL     1       1.447  -1.998  -2.121  1.00  0.00           C  
HETATM   13  S   UNL     1      -0.321  -2.472  -2.286  1.00  0.00           S  
HETATM   14  O   UNL     1       3.295  -4.046  -0.222  1.00  0.00           O  
HETATM   15  O   UNL     1       4.816 -10.653  -4.992  1.00  0.00           O  
HETATM   16  OXT UNL     1       3.461  -9.908  -6.649  1.00  0.00           O  
HETATM   17  C   UNL     1       0.583  -2.179   0.261  1.00  0.00           C  
HETATM   18  C   UNL     1       0.109  -0.824   0.719  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.512  -2.948  -0.522  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.347  -4.472  -0.395  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.945  -2.598  -0.085  1.00  0.00           C  
HETATM   22  O   UNL     1       0.221   0.212   0.081  1.00  0.00           O  
HETATM   23  O   UNL     1      -0.460  -0.906   1.946  1.00  0.00           O  
HETATM   24  C   UNL     1       1.820  -2.025  -0.620  1.00  0.00           C  
HETATM   25  HA  UNL     1       1.759 -11.204  -5.125  1.00  0.00           H  
HETATM   26  HXT UNL     1       4.258  -9.808  -7.213  1.00  0.00           H  
HETATM   27  H   UNL     1       0.778  -9.315  -3.839  1.00  0.00           H  
HETATM   28  H   UNL     1       1.361  -8.810  -5.414  1.00  0.00           H  
HETATM   29  H1  UNL     1       3.113 -12.052  -3.320  1.00  0.00           H  
HETATM   30  H2  UNL     1       2.396 -10.699  -2.478  1.00  0.00           H  
HETATM   31  H   UNL     1       3.439  -7.887  -4.360  1.00  0.00           H  
HETATM   32  H   UNL     1       2.850  -8.356  -2.766  1.00  0.00           H  
HETATM   33  H   UNL     1       0.827  -6.855  -3.158  1.00  0.00           H  
HETATM   34  H   UNL     1       1.535  -6.393  -4.712  1.00  0.00           H  
HETATM   35  H   UNL     1       0.902  -4.416  -3.364  1.00  0.00           H  
HETATM   36  H   UNL     1       3.301  -2.888  -2.992  1.00  0.00           H  
HETATM   37  H   UNL     1       1.697  -1.066  -2.637  1.00  0.00           H  
HETATM   38  H   UNL     1       2.471  -1.196  -0.310  1.00  0.00           H  
HETATM   39  H   UNL     1       0.838  -2.717   1.182  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.774  -0.032   2.264  1.00  0.00           H  
HETATM   41  H   UNL     1       0.509  -4.816  -0.982  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.185  -4.755   0.649  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.242  -4.987  -0.757  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.673  -3.009  -0.791  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.156  -3.009   0.907  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.080  -1.513  -0.044  1.00  0.00           H  
CONECT    1    2   15   15   16                                       
CONECT    2    1    3   10   25                                       
CONECT    3    2    4   27   28                                       
CONECT    4    3    5   31   32                                       
CONECT    5    4    6   33   34                                       
CONECT    6    5    7   11   11                                       
CONECT    7    6    8   35                                            
CONECT    8    7    9   12   36                                       
CONECT    9    8   14   14   24                                       
CONECT   10    2   29   30                                            
CONECT   11    6    6                                                 
CONECT   12    8   13   24   37                                       
CONECT   13   12   19                                                 
CONECT   14    9    9                                                 
CONECT   15    1    1                                                 
CONECT   16    1   26                                                 
CONECT   17   18   19   24   39                                       
CONECT   18   17   22   22   23                                       
CONECT   19   13   17   20   21                                       
CONECT   20   19   41   42   43                                       
CONECT   21   19   44   45   46                                       
CONECT   22   18   18                                                 
CONECT   23   18   40                                                 
CONECT   24    9   12   17   38                                       
CONECT   25    2                                                      
CONECT   26   16                                                      
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31    4                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37   12                                                      
CONECT   38   24                                                      
CONECT   39   17                                                      
CONECT   40   23                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   21                                                      
CONECT   46   21                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
