COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.924   2.592  -0.408  1.00  0.00           O  
HETATM    2  C   UNL     1       3.732   1.959  -0.245  1.00  0.00           C  
HETATM    3  C   UNL     1       2.853   1.852  -1.314  1.00  0.00           C  
HETATM    4  C   UNL     1       1.643   1.211  -1.151  1.00  0.00           C  
HETATM    5  C   UNL     1       1.303   0.669   0.088  1.00  0.00           C  
HETATM    6  C   UNL     1       0.003  -0.021   0.267  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.263   0.739   0.141  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.567   1.746   1.057  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.746   2.452   0.938  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.629   2.161  -0.093  1.00  0.00           C  
HETATM   11  O   UNL     1      -4.790   2.858  -0.208  1.00  0.00           O  
HETATM   12  C   UNL     1      -3.330   1.159  -1.006  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.150   0.453  -0.896  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.027  -1.331   0.541  1.00  0.00           C  
HETATM   15  C   UNL     1       1.254  -2.124   0.679  1.00  0.00           C  
HETATM   16  C   UNL     1       1.160  -3.362  -0.220  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.108  -4.146   0.126  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.155  -5.429  -0.706  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.342  -3.296  -0.179  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.342  -2.055   0.726  1.00  0.00           C  
HETATM   21  C   UNL     1       2.189   0.778   1.160  1.00  0.00           C  
HETATM   22  C   UNL     1       3.400   1.416   0.989  1.00  0.00           C  
HETATM   23  H   UNL     1       4.894   3.540  -0.224  1.00  0.00           H  
HETATM   24  H   UNL     1       3.116   2.271  -2.273  1.00  0.00           H  
HETATM   25  H   UNL     1       0.959   1.128  -1.982  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.880   1.973   1.859  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.981   3.232   1.646  1.00  0.00           H  
HETATM   28  H   UNL     1      -4.720   3.651  -0.757  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.019   0.935  -1.806  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.916  -0.323  -1.609  1.00  0.00           H  
HETATM   31  H   UNL     1       2.100  -1.510   0.369  1.00  0.00           H  
HETATM   32  H   UNL     1       1.383  -2.434   1.716  1.00  0.00           H  
HETATM   33  H   UNL     1       1.122  -3.051  -1.264  1.00  0.00           H  
HETATM   34  H   UNL     1       2.033  -3.994  -0.060  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.097  -4.402   1.185  1.00  0.00           H  
HETATM   36  H   UNL     1       0.722  -6.038  -0.485  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.058  -5.988  -0.461  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.162  -5.174  -1.766  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.321  -2.987  -1.224  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.242  -3.882   0.008  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.449  -2.358   1.768  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.165  -1.396   0.447  1.00  0.00           H  
HETATM   43  H   UNL     1       1.929   0.361   2.121  1.00  0.00           H  
HETATM   44  H   UNL     1       4.088   1.497   1.817  1.00  0.00           H  
CONECT    1    2   23                                                 
CONECT    2    1   22   22    3                                       
CONECT    3    2    4    4   24                                       
CONECT    4    3    3    5   25                                       
CONECT    5   21   21    4    6                                       
CONECT    6    5    7   14   14                                       
CONECT    7    6   13   13    8                                       
CONECT    8    7    9    9   26                                       
CONECT    9    8    8   10   27                                       
CONECT   10   12   12    9   11                                       
CONECT   11   10   28                                                 
CONECT   12   13   10   10   29                                       
CONECT   13    7    7   12   30                                       
CONECT   14    6    6   15   20                                       
CONECT   15   14   16   31   32                                       
CONECT   16   15   17   33   34                                       
CONECT   17   16   19   18   35                                       
CONECT   18   17   36   37   38                                       
CONECT   19   20   17   39   40                                       
CONECT   20   14   19   41   42                                       
CONECT   21   22    5    5   43                                       
CONECT   22    2    2   21   44                                       
CONECT   23    1                                                      
CONECT   24    3                                                      
CONECT   25    4                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   12                                                      
CONECT   30   13                                                      
CONECT   31   15                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   16                                                      
CONECT   35   17                                                      
CONECT   36   18                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   19                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
