COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.967   3.204   1.345  1.00  0.00           C  
HETATM    2  C   UNL     1       5.786   2.385   0.247  1.00  0.00           C  
HETATM    3  C   UNL     1       4.508   2.207  -0.261  1.00  0.00           C  
HETATM    4  C   UNL     1       3.455   2.864   0.358  1.00  0.00           C  
HETATM    5  C   UNL     1       3.713   3.668   1.452  1.00  0.00           C  
HETATM    6  N   UNL     1       4.942   3.813   1.908  1.00  0.00           N  
HETATM    7  C   UNL     1       4.269   1.323  -1.457  1.00  0.00           C  
HETATM    8  N   UNL     1       4.009  -0.047  -1.008  1.00  0.00           N  
HETATM    9  C   UNL     1       2.779  -0.576  -0.709  1.00  0.00           C  
HETATM   10  C   UNL     1       3.006  -1.914  -0.324  1.00  0.00           C  
HETATM   11  C   UNL     1       4.396  -2.140  -0.409  1.00  0.00           C  
HETATM   12  N   UNL     1       4.972  -1.044  -0.814  1.00  0.00           N  
HETATM   13  N   UNL     1       1.551  -0.083  -0.723  1.00  0.00           N  
HETATM   14  C   UNL     1       0.501  -0.813  -0.383  1.00  0.00           C  
HETATM   15  C   UNL     1       0.637  -2.147   0.012  1.00  0.00           C  
HETATM   16  C   UNL     1       1.904  -2.720   0.045  1.00  0.00           C  
HETATM   17  C   UNL     1       2.093  -4.127   0.456  1.00  0.00           C  
HETATM   18  O   UNL     1       1.029  -4.876   0.806  1.00  0.00           O  
HETATM   19  O   UNL     1       3.208  -4.609   0.479  1.00  0.00           O  
HETATM   20  C   UNL     1      -0.849  -0.202  -0.420  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.001   1.129  -0.811  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.254   1.697  -0.846  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.375   0.941  -0.489  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.220  -0.392  -0.098  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.967  -0.960  -0.069  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.719   1.549  -0.526  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.871   2.661  -0.995  1.00  0.00           O  
HETATM   28  C   UNL     1      -5.881   0.808   0.008  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.728  -0.035   1.111  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.816  -0.725   1.604  1.00  0.00           C  
HETATM   31  C   UNL     1      -8.057  -0.582   1.009  1.00  0.00           C  
HETATM   32  C   UNL     1      -8.216   0.252  -0.084  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.137   0.952  -0.584  1.00  0.00           C  
HETATM   34  H   UNL     1       6.958   3.344   1.749  1.00  0.00           H  
HETATM   35  H   UNL     1       6.629   1.889  -0.211  1.00  0.00           H  
HETATM   36  H   UNL     1       2.447   2.749  -0.011  1.00  0.00           H  
HETATM   37  H   UNL     1       2.898   4.182   1.940  1.00  0.00           H  
HETATM   38  H   UNL     1       3.408   1.691  -2.016  1.00  0.00           H  
HETATM   39  H   UNL     1       5.150   1.334  -2.099  1.00  0.00           H  
HETATM   40  H   UNL     1       4.898  -3.069  -0.180  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.231  -2.727   0.287  1.00  0.00           H  
HETATM   42  H   UNL     1       1.203  -5.791   1.067  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.136   1.713  -1.086  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.372   2.727  -1.148  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.085  -0.978   0.178  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.848  -1.990   0.233  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.760  -0.148   1.576  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.699  -1.377   2.456  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.906  -1.124   1.399  1.00  0.00           H  
HETATM   50  H   UNL     1      -9.187   0.358  -0.544  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.264   1.606  -1.434  1.00  0.00           H  
CONECT    1    2    2    6   34                                       
CONECT    2    1    1    3   35                                       
CONECT    3    2    7    4    4                                       
CONECT    4    3    3    5   36                                       
CONECT    5    4    6    6   37                                       
CONECT    6    1    5    5                                            
CONECT    7    3    8   38   39                                       
CONECT    8    7    9   12                                            
CONECT    9    8   10   10   13                                       
CONECT   10    9    9   16   11                                       
CONECT   11   10   12   12   40                                       
CONECT   12    8   11   11                                            
CONECT   13    9   14   14                                            
CONECT   14   13   13   15   20                                       
CONECT   15   14   16   16   41                                       
CONECT   16   10   15   15   17                                       
CONECT   17   16   19   19   18                                       
CONECT   18   17   42                                                 
CONECT   19   17   17                                                 
CONECT   20   14   25   25   21                                       
CONECT   21   20   22   22   43                                       
CONECT   22   21   21   23   44                                       
CONECT   23   22   24   24   26                                       
CONECT   24   23   23   25   45                                       
CONECT   25   20   20   24   46                                       
CONECT   26   23   27   27   28                                       
CONECT   27   26   26                                                 
CONECT   28   26   29   29   33                                       
CONECT   29   28   28   30   47                                       
CONECT   30   29   31   31   48                                       
CONECT   31   30   30   32   49                                       
CONECT   32   31   33   33   50                                       
CONECT   33   28   32   32   51                                       
CONECT   34    1                                                      
CONECT   35    2                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    7                                                      
CONECT   39    7                                                      
CONECT   40   11                                                      
CONECT   41   15                                                      
CONECT   42   18                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   24                                                      
CONECT   46   25                                                      
CONECT   47   29                                                      
CONECT   48   30                                                      
CONECT   49   31                                                      
CONECT   50   32                                                      
CONECT   51   33                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
