COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.989   1.044   1.417  1.00  0.00           N  
HETATM    2  CA  UNL     1      -4.358   0.642   0.053  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.857   0.693  -0.097  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.563   0.669   0.883  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.867  -0.783  -0.209  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.361  -0.809  -0.180  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.643  -0.590  -1.341  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.696  -1.046   1.008  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.262  -0.614  -1.315  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.314  -1.070   1.035  1.00  0.00           C  
HETATM   11  C   UNL     1       0.403  -0.856  -0.127  1.00  0.00           C  
HETATM   12  B   UNL     1       1.959  -0.883  -0.097  1.00  0.00           B1-
HETATM   13  C   UNL     1       3.819  -0.517   1.284  1.00  0.00           C  
HETATM   14  C   UNL     1       4.451   0.370   0.204  1.00  0.00           C  
HETATM   15  C   UNL     1       4.122   1.837   0.483  1.00  0.00           C  
HETATM   16  C   UNL     1       3.874  -0.038  -1.156  1.00  0.00           C  
HETATM   17  N   UNL     1       5.908   0.182   0.200  1.00  0.00           N  
HETATM   18  O   UNL     1       2.396  -0.478   1.132  1.00  0.00           O  
HETATM   19  O   UNL     1       2.445  -0.047  -1.062  1.00  0.00           O  
HETATM   20  O   UNL     1       4.713   2.659  -0.525  1.00  0.00           O  
HETATM   21  O   UNL     1       2.395  -2.156  -0.337  1.00  0.00           O  
HETATM   22  H1  UNL     1      -4.245   2.004   1.593  1.00  0.00           H  
HETATM   23  H2  UNL     1      -4.403   0.428   2.100  1.00  0.00           H  
HETATM   24  HA  UNL     1      -3.898   1.322  -0.663  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.257  -1.449   0.561  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.218  -1.114  -1.187  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.162  -0.400  -2.269  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.257  -1.213   1.917  1.00  0.00           H  
HETATM   29  H   UNL     1       0.299  -0.443  -2.222  1.00  0.00           H  
HETATM   30  H   UNL     1       0.205  -1.255   1.964  1.00  0.00           H  
HETATM   31  H   UNL     1       4.171  -1.542   1.168  1.00  0.00           H  
HETATM   32  H   UNL     1       4.092  -0.146   2.272  1.00  0.00           H  
HETATM   33  H   UNL     1       3.041   1.975   0.476  1.00  0.00           H  
HETATM   34  H   UNL     1       4.517   2.119   1.459  1.00  0.00           H  
HETATM   35  H   UNL     1       4.186   0.678  -1.915  1.00  0.00           H  
HETATM   36  H   UNL     1       4.229  -1.034  -1.421  1.00  0.00           H  
HETATM   37  H   UNL     1       6.345   0.757  -0.505  1.00  0.00           H  
HETATM   38  H   UNL     1       6.299   0.367   1.111  1.00  0.00           H  
HETATM   39  H   UNL     1       4.545   3.604  -0.411  1.00  0.00           H  
HETATM   40  H   UNL     1       3.357  -2.249  -0.334  1.00  0.00           H  
HETATM   41  OXT UNL     1      -6.407   0.764  -1.319  1.00  0.00           O  
HETATM   42  HXT UNL     1      -7.372   0.794  -1.365  1.00  0.00           H  
CONECT    1    2   22   23                                            
CONECT    2    1    3    5   24                                       
CONECT    3    4    4    2   41                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   25   26                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   27                                       
CONECT    8    6   10   10   28                                       
CONECT    9    7   11   11   29                                       
CONECT   10    8    8   11   30                                       
CONECT   11    9    9   10   12                                       
CONECT   12   11   19   21   18                                       
CONECT   13   14   18   31   32                                       
CONECT   14   16   15   13   17                                       
CONECT   15   14   20   33   34                                       
CONECT   16   19   14   35   36                                       
CONECT   17   14   37   38                                            
CONECT   18   12   13                                                 
CONECT   19   16   12                                                 
CONECT   20   15   39                                                 
CONECT   21   12   40                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    2                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41    3   42                                                 
CONECT   42   41                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
