COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -3.292   1.271   0.032  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.832  -0.029   0.056  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.540  -0.590   0.097  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.388  -2.001   0.114  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.093  -2.540   0.153  1.00  0.00           C  
HETATM    6  N   UNL     1       0.953  -1.749   0.174  1.00  0.00           N  
HETATM    7  C   UNL     1       0.849  -0.420   0.160  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.385   0.205   0.121  1.00  0.00           C  
HETATM    9  C   UNL     1       2.081   0.405   0.186  1.00  0.00           C  
HETATM   10  C   UNL     1       2.001   1.796   0.178  1.00  0.00           C  
HETATM   11  N   UNL     1       3.093   2.533   0.201  1.00  0.00           N  
HETATM   12  C   UNL     1       4.296   1.996   0.233  1.00  0.00           C  
HETATM   13  C   UNL     1       4.463   0.617   0.243  1.00  0.00           C  
HETATM   14  C   UNL     1       3.340  -0.200   0.226  1.00  0.00           C  
HETATM   15  O   UNL     1       5.708   0.075   0.276  1.00  0.00           O  
HETATM   16  C   UNL     1       6.811   0.984   0.299  1.00  0.00           C  
HETATM   17  C   UNL     1       8.122   0.194   0.334  1.00  0.00           C  
HETATM   18  O   UNL     1       8.266  -0.544  -0.881  1.00  0.00           O  
HETATM   19  C   UNL     1       9.463  -1.320  -0.950  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.528  -2.826   0.091  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.767  -2.276   0.050  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.943  -0.882   0.031  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.105  -0.002  -0.014  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.634   1.292  -0.012  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.586   2.462  -0.053  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.852   2.043  -0.802  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.362   0.749  -0.367  1.00  0.00           N  
HETATM   28  C   UNL     1      -6.545  -0.287  -0.054  1.00  0.00           C  
HETATM   29  O   UNL     1      -6.983  -1.398   0.180  1.00  0.00           O  
HETATM   30  H   UNL     1       0.043  -3.612   0.166  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.457   1.283   0.110  1.00  0.00           H  
HETATM   32  H   UNL     1       1.034   2.276   0.152  1.00  0.00           H  
HETATM   33  H   UNL     1       5.165   2.637   0.252  1.00  0.00           H  
HETATM   34  H   UNL     1       3.438  -1.276   0.237  1.00  0.00           H  
HETATM   35  H   UNL     1       6.787   1.607  -0.595  1.00  0.00           H  
HETATM   36  H   UNL     1       6.743   1.615   1.185  1.00  0.00           H  
HETATM   37  H   UNL     1       8.958   0.884   0.441  1.00  0.00           H  
HETATM   38  H   UNL     1       8.108  -0.495   1.179  1.00  0.00           H  
HETATM   39  H   UNL     1      10.328  -0.662  -0.870  1.00  0.00           H  
HETATM   40  H   UNL     1       9.478  -2.041  -0.132  1.00  0.00           H  
HETATM   41  H   UNL     1       9.498  -1.851  -1.902  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.416  -3.900   0.105  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.634  -2.920   0.033  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.845   2.758   0.964  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.115   3.298  -0.570  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.622   2.797  -0.640  1.00  0.00           H  
HETATM   47  H   UNL     1      -6.629   1.991  -1.867  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.321   0.626  -0.294  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.727   2.059   0.048  1.00  0.00           H  
CONECT    1    2   24   49                                            
CONECT    2    1    3    3   22                                       
CONECT    3    2    2    4    8                                       
CONECT    4    3    5   20   20                                       
CONECT    5    4    6    6   30                                       
CONECT    6    5    5    7                                            
CONECT    7    6    9    8    8                                       
CONECT    8    3    7    7   31                                       
CONECT    9    7   10   10   14                                       
CONECT   10    9    9   11   32                                       
CONECT   11   10   12   12                                            
CONECT   12   11   11   13   33                                       
CONECT   13   12   14   14   15                                       
CONECT   14    9   13   13   34                                       
CONECT   15   13   16                                                 
CONECT   16   15   17   35   36                                       
CONECT   17   16   18   37   38                                       
CONECT   18   17   19                                                 
CONECT   19   18   39   40   41                                       
CONECT   20    4    4   21   42                                       
CONECT   21   20   22   22   43                                       
CONECT   22    2   21   21   23                                       
CONECT   23   22   24   24   28                                       
CONECT   24    1   23   23   25                                       
CONECT   25   24   26   44   45                                       
CONECT   26   25   27   46   47                                       
CONECT   27   26   28   48                                            
CONECT   28   23   27   29   29                                       
CONECT   29   28   28                                                 
CONECT   30    5                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   16                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49    1                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
