COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.901  -0.959   0.603  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.778  -1.469   0.012  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.926  -2.801  -0.032  1.00  0.00           O  
HETATM    4  N   UNL     1      -2.977  -3.157   0.448  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.689  -2.099   0.886  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.618  -0.696  -0.485  1.00  0.00           C  
HETATM    7  N   UNL     1      -0.465   0.637  -0.443  1.00  0.00           N  
HETATM    8  N   UNL     1       0.678   0.908  -0.975  1.00  0.00           N  
HETATM    9  N   UNL     1       1.239  -0.191  -1.344  1.00  0.00           N  
HETATM   10  N   UNL     1       0.470  -1.183  -1.050  1.00  0.00           N  
HETATM   11  C   UNL     1       2.549  -0.297  -1.990  1.00  0.00           C  
HETATM   12  C   UNL     1       5.579  -0.720   0.993  1.00  0.00           C  
HETATM   13  C   UNL     1       5.208   0.540   0.557  1.00  0.00           C  
HETATM   14  C   UNL     1       4.227   0.676  -0.408  1.00  0.00           C  
HETATM   15  C   UNL     1       3.618  -0.446  -0.938  1.00  0.00           C  
HETATM   16  C   UNL     1       3.988  -1.704  -0.502  1.00  0.00           C  
HETATM   17  C   UNL     1       4.972  -1.841   0.460  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.787  -2.120   1.419  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.223   0.485   0.891  1.00  0.00           C  
HETATM   20  CA  UNL     1      -4.072   1.055  -0.247  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.497   2.459   0.098  1.00  0.00           C  
HETATM   22  O   UNL     1      -3.905   3.402  -0.372  1.00  0.00           O  
HETATM   23  OXT UNL     1      -5.532   2.663   0.928  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.283   1.073  -1.486  1.00  0.00           N1+
HETATM   25 CL   UNL     1       5.974   1.949   1.222  1.00  0.00          Cl  
HETATM   26  H   UNL     1      -3.269  -4.079   0.511  1.00  0.00           H  
HETATM   27  H   UNL     1       2.561  -1.168  -2.645  1.00  0.00           H  
HETATM   28  H   UNL     1       2.739   0.601  -2.576  1.00  0.00           H  
HETATM   29  H   UNL     1       6.345  -0.827   1.747  1.00  0.00           H  
HETATM   30  H   UNL     1       3.938   1.660  -0.749  1.00  0.00           H  
HETATM   31  H   UNL     1       3.511  -2.581  -0.915  1.00  0.00           H  
HETATM   32  H   UNL     1       5.261  -2.825   0.800  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.777   0.554   1.827  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.297   1.054   0.974  1.00  0.00           H  
HETATM   35  HA  UNL     1      -4.956   0.433  -0.388  1.00  0.00           H  
HETATM   36  HXT UNL     1      -5.767   3.581   1.120  1.00  0.00           H  
HETATM   37  H1  UNL     1      -2.465   1.649  -1.355  1.00  0.00           H  
HETATM   38  H2  UNL     1      -2.999   0.133  -1.717  1.00  0.00           H  
HETATM   39  H3  UNL     1      -3.843   1.449  -2.236  1.00  0.00           H  
CONECT    1   19    5    2    2                                       
CONECT    2    1    1    6    3                                       
CONECT    3    2    4                                                 
CONECT    4    5    3   26                                            
CONECT    5   18   18    1    4                                       
CONECT    6   10   10    2    7                                       
CONECT    7    6    8    8                                            
CONECT    8    9    7    7                                            
CONECT    9   10   11    8                                            
CONECT   10    6    6    9                                            
CONECT   11    9   15   27   28                                       
CONECT   12   17   17   13   29                                       
CONECT   13   14   14   12   25                                       
CONECT   14   15   13   13   30                                       
CONECT   15   11   16   16   14                                       
CONECT   16   15   15   17   31                                       
CONECT   17   16   12   12   32                                       
CONECT   18    5    5                                                 
CONECT   19   20    1   33   34                                       
CONECT   20   21   24   19   35                                       
CONECT   21   22   22   23   20                                       
CONECT   22   21   21                                                 
CONECT   23   21   36                                                 
CONECT   24   20   37   38   39                                       
CONECT   25   13                                                      
CONECT   26    4                                                      
CONECT   27   11                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   14                                                      
CONECT   31   16                                                      
CONECT   32   17                                                      
CONECT   33   19                                                      
CONECT   34   19                                                      
CONECT   35   20                                                      
CONECT   36   23                                                      
CONECT   37   24                                                      
CONECT   38   24                                                      
CONECT   39   24                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
