COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.036   1.293  -0.368  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.135  -0.012   0.438  1.00  0.00           C  
HETATM    3  O   UNL     1      -1.463  -0.499   0.191  1.00  0.00           O  
HETATM    4  C   UNL     1      -2.136   0.361  -0.741  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.434   1.736  -0.603  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.596   0.481  -0.385  1.00  0.00           C  
HETATM    7  O   UNL     1      -4.412   1.231  -1.142  1.00  0.00           O  
HETATM    8  O   UNL     1      -4.031  -0.097   0.582  1.00  0.00           O  
HETATM    9  N   UNL     1       2.239  -0.486   0.090  1.00  0.00           N  
HETATM   10  C   UNL     1       3.211  -0.899  -0.748  1.00  0.00           C  
HETATM   11  C   UNL     1       4.622  -0.402  -0.568  1.00  0.00           C  
HETATM   12  O   UNL     1       2.950  -1.671  -1.646  1.00  0.00           O  
HETATM   13  C   UNL     1       0.892  -1.052  -0.015  1.00  0.00           C  
HETATM   14  C   UNL     1       0.790  -2.292   0.875  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.557  -2.979   0.640  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.641  -3.453  -0.813  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.687  -4.182   1.576  1.00  0.00           C  
HETATM   18  C   UNL     1       0.785   2.325   0.436  1.00  0.00           C  
HETATM   19  O   UNL     1       1.203   2.049   1.535  1.00  0.00           O  
HETATM   20  O   UNL     1       0.987   3.552  -0.070  1.00  0.00           O  
HETATM   21  C   UNL     1       1.708   4.547   0.704  1.00  0.00           C  
HETATM   22  H   UNL     1       0.540   1.101  -1.315  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.008   0.193   1.501  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.025  -0.020  -1.756  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.819   2.289   0.253  1.00  0.00           H  
HETATM   26  H   UNL     1      -1.527   2.318  -1.520  1.00  0.00           H  
HETATM   27  H   UNL     1      -5.348   1.308  -0.914  1.00  0.00           H  
HETATM   28  H   UNL     1       2.432   0.187   0.762  1.00  0.00           H  
HETATM   29  H   UNL     1       4.663   0.277   0.283  1.00  0.00           H  
HETATM   30  H   UNL     1       5.286  -1.248  -0.389  1.00  0.00           H  
HETATM   31  H   UNL     1       4.940   0.124  -1.468  1.00  0.00           H  
HETATM   32  H   UNL     1       0.695  -1.331  -1.050  1.00  0.00           H  
HETATM   33  H   UNL     1       1.597  -2.982   0.631  1.00  0.00           H  
HETATM   34  H   UNL     1       0.868  -1.996   1.921  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.364  -2.274   0.839  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.467  -2.609  -1.481  1.00  0.00           H  
HETATM   37  H   UNL     1       0.115  -4.217  -0.990  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.630  -3.869  -1.003  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.627  -3.844   2.611  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.646  -4.671   1.409  1.00  0.00           H  
HETATM   41  H   UNL     1       0.120  -4.886   1.377  1.00  0.00           H  
HETATM   42  H   UNL     1       1.181   4.732   1.639  1.00  0.00           H  
HETATM   43  H   UNL     1       2.713   4.181   0.919  1.00  0.00           H  
HETATM   44  H   UNL     1       1.773   5.474   0.134  1.00  0.00           H  
CONECT    1    2    5   18   22                                       
CONECT    2    1    3   13   23                                       
CONECT    3    2    4                                                 
CONECT    4    3    5    6   24                                       
CONECT    5    1    4   25   26                                       
CONECT    6    4    7    8    8                                       
CONECT    7    6   27                                                 
CONECT    8    6    6                                                 
CONECT    9   10   13   28                                            
CONECT   10    9   11   12   12                                       
CONECT   11   10   29   30   31                                       
CONECT   12   10   10                                                 
CONECT   13    2    9   14   32                                       
CONECT   14   13   15   33   34                                       
CONECT   15   14   16   17   35                                       
CONECT   16   15   36   37   38                                       
CONECT   17   15   39   40   41                                       
CONECT   18    1   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21                                                 
CONECT   21   20   42   43   44                                       
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   14                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   17                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   21                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
