COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1       4.965  -0.918  -0.243  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -0.098   3.656  -0.056  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.007   4.096  -0.718  1.00  0.00           O  
HETATM    4  CA  UNL     1      -0.008   2.175   0.211  1.00  0.00           C  
HETATM    5  N   UNL     1      -1.135   1.494  -0.431  1.00  0.00           N  
HETATM    6  C   UNL     1       1.306   1.634  -0.357  1.00  0.00           C  
HETATM    7  C   UNL     1       2.479   2.256   0.402  1.00  0.00           C  
HETATM    8  C   UNL     1       3.762   1.516   0.002  1.00  0.00           C  
HETATM    9  C   UNL     1       3.658   0.074   0.505  1.00  0.00           C  
HETATM   10  CA  UNL     1       2.322  -0.501   0.135  1.00  0.00           C  
HETATM   11  C   UNL     1       2.162  -1.973   0.200  1.00  0.00           C  
HETATM   12  N   UNL     1       1.325   0.183  -0.226  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.319   1.405   0.205  1.00  0.00           C  
HETATM   14  O   UNL     1      -2.453   1.889   1.309  1.00  0.00           O  
HETATM   15  CA  UNL     1      -3.479   0.705  -0.456  1.00  0.00           C  
HETATM   16  N   UNL     1      -4.734   1.137   0.173  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.323  -0.785  -0.294  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.684  -1.393   0.894  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.541  -2.760   1.042  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.037  -3.519   0.002  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.677  -2.911  -1.186  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.825  -1.545  -1.336  1.00  0.00           C  
HETATM   23  O   UNL     1       3.095  -2.671   0.543  1.00  0.00           O  
HETATM   24  OXT UNL     1       0.982  -2.537  -0.122  1.00  0.00           O  
HETATM   25  H   UNL     1       0.653   4.323   0.342  1.00  0.00           H  
HETATM   26  HA  UNL     1      -0.040   1.997   1.285  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.028   1.107  -1.314  1.00  0.00           H  
HETATM   28  H   UNL     1       1.378   1.900  -1.412  1.00  0.00           H  
HETATM   29  H   UNL     1       2.566   3.311   0.142  1.00  0.00           H  
HETATM   30  H   UNL     1       2.316   2.155   1.475  1.00  0.00           H  
HETATM   31  H   UNL     1       3.866   1.521  -1.084  1.00  0.00           H  
HETATM   32  H   UNL     1       4.625   2.004   0.455  1.00  0.00           H  
HETATM   33  H   UNL     1       3.769   0.060   1.589  1.00  0.00           H  
HETATM   34  HA  UNL     1      -3.498   0.955  -1.516  1.00  0.00           H  
HETATM   35  H1  UNL     1      -5.531   0.730  -0.295  1.00  0.00           H  
HETATM   36  H2  UNL     1      -4.741   0.915   1.157  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.078  -0.801   1.706  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.822  -3.235   1.970  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.925  -4.587   0.118  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.283  -3.504  -1.998  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.547  -1.071  -2.266  1.00  0.00           H  
HETATM   42  HXT UNL     1       0.926  -3.501  -0.065  1.00  0.00           H  
CONECT    1    9                                                      
CONECT    2    3    3    4   25                                       
CONECT    3    2    2                                                 
CONECT    4    2    6    5   26                                       
CONECT    5    4   13   27                                            
CONECT    6    4   12    7   28                                       
CONECT    7    6    8   29   30                                       
CONECT    8    7    9   31   32                                       
CONECT    9    1    8   10   33                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   23   23   24                                       
CONECT   12    6   10   10                                            
CONECT   13    5   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   17   16   34                                       
CONECT   16   15   35   36                                            
CONECT   17   15   18   18   22                                       
CONECT   18   17   17   19   37                                       
CONECT   19   18   20   20   38                                       
CONECT   20   19   19   21   39                                       
CONECT   21   20   22   22   40                                       
CONECT   22   17   21   21   41                                       
CONECT   23   11   11                                                 
CONECT   24   11   42                                                 
CONECT   25    2                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   22                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
