COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.357   1.960  -0.220  1.00  0.00           N  
HETATM    2  CA  UNL     1      -0.969   2.423  -0.086  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.949   3.908   0.171  1.00  0.00           C  
HETATM    4  OXT UNL     1       0.167   4.615  -0.067  1.00  0.00           O  
HETATM    5  C   UNL     1      -0.341   1.682   1.102  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.309   0.186   0.789  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.671  -0.290   0.356  1.00  0.00           C  
HETATM    8  N   UNL     1       0.656  -0.064  -0.283  1.00  0.00           N  
HETATM    9  O   UNL     1      -1.937   4.462   0.590  1.00  0.00           O  
HETATM   10  C   UNL     1       6.888  -0.932  -0.105  1.00  0.00           C  
HETATM   11  C   UNL     1       6.536  -0.207  -1.229  1.00  0.00           C  
HETATM   12  C   UNL     1       5.908  -1.451   0.721  1.00  0.00           C  
HETATM   13  C   UNL     1       5.204   0.005  -1.527  1.00  0.00           C  
HETATM   14  C   UNL     1       4.574  -1.242   0.429  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.205  -2.111   0.047  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.871   0.116  -0.525  1.00  0.00           C  
HETATM   17  C   UNL     1       1.969  -0.165   0.002  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.159  -1.232  -0.438  1.00  0.00           C  
HETATM   19  C   UNL     1       4.218  -0.510  -0.696  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.967  -1.642   0.441  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.626   0.590  -0.127  1.00  0.00           C  
HETATM   22  N   UNL     1       2.867  -0.297  -0.995  1.00  0.00           N  
HETATM   23  O   UNL     1       2.344  -0.138   1.158  1.00  0.00           O  
HETATM   24 CL   UNL     1      -5.713  -1.824  -0.936  1.00  0.00          Cl  
HETATM   25 CL   UNL     1      -0.775  -2.750   1.046  1.00  0.00          Cl  
HETATM   26  H   UNL     1      -3.076   2.595  -0.367  1.00  0.00           H  
HETATM   27  HA  UNL     1      -0.415   2.197  -0.997  1.00  0.00           H  
HETATM   28  HXT UNL     1       0.132   5.564   0.112  1.00  0.00           H  
HETATM   29  H   UNL     1       0.675   2.043   1.261  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.937   1.856   1.998  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.007  -0.362   1.682  1.00  0.00           H  
HETATM   32  H   UNL     1       0.350  -0.158  -1.199  1.00  0.00           H  
HETATM   33  H   UNL     1       7.930  -1.097   0.125  1.00  0.00           H  
HETATM   34  H   UNL     1       7.303   0.194  -1.875  1.00  0.00           H  
HETATM   35  H   UNL     1       6.186  -2.021   1.595  1.00  0.00           H  
HETATM   36  H   UNL     1       4.930   0.572  -2.404  1.00  0.00           H  
HETATM   37  H   UNL     1       3.810  -1.648   1.074  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.430  -3.165   0.117  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.614   0.803  -0.903  1.00  0.00           H  
HETATM   40  H   UNL     1       2.578  -0.243  -1.919  1.00  0.00           H  
CONECT    1   21    2   26                                            
CONECT    2    1    3    5   27                                       
CONECT    3    9    9    4    2                                       
CONECT    4    3   28                                                 
CONECT    5    2    6   29   30                                       
CONECT    6    5    7    8   31                                       
CONECT    7   21   21   20    6                                       
CONECT    8    6   17   32                                            
CONECT    9    3    3                                                 
CONECT   10   12   12   11   33                                       
CONECT   11   13   13   10   34                                       
CONECT   12   14   10   10   35                                       
CONECT   13   19   11   11   36                                       
CONECT   14   19   19   12   37                                       
CONECT   15   18   20   20   38                                       
CONECT   16   18   18   21   39                                       
CONECT   17    8   23   23   22                                       
CONECT   18   24   16   16   15                                       
CONECT   19   22   14   14   13                                       
CONECT   20   15   15    7   25                                       
CONECT   21   16    1    7    7                                       
CONECT   22   17   19   40                                            
CONECT   23   17   17                                                 
CONECT   24   18                                                      
CONECT   25   20                                                      
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    8                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   12                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
