COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.225   0.001   5.010  1.00  0.00           C  
HETATM    2  O   UNL     1      -0.943  -0.297   4.962  1.00  0.00           O  
HETATM    3  O   UNL     1       0.821   0.190   6.198  1.00  0.00           O  
HETATM    4  C   UNL     1       1.015   0.162   3.737  1.00  0.00           C  
HETATM    5  C   UNL     1       0.107  -0.105   2.536  1.00  0.00           C  
HETATM    6  C   UNL     1       0.909   0.058   1.243  1.00  0.00           C  
HETATM    7  C   UNL     1       0.001  -0.210   0.042  1.00  0.00           C  
HETATM    8  N   UNL     1      -1.179   0.653   0.119  1.00  0.00           N  
HETATM    9  C   UNL     1      -2.411   0.108   0.162  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.628   0.997   0.169  1.00  0.00           C  
HETATM   11  O   UNL     1      -2.540  -1.096   0.194  1.00  0.00           O  
HETATM   12  O   UNL     1       1.916  -0.759  -1.326  1.00  0.00           O  
HETATM   13  C   UNL     1       0.765   0.083  -1.250  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.143  -0.185  -2.452  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.553  -1.553  -2.442  1.00  0.00           O  
HETATM   16  C   UNL     1       0.620   0.109  -3.744  1.00  0.00           C  
HETATM   17  O   UNL     1       1.030   1.478  -3.754  1.00  0.00           O  
HETATM   18  C   UNL     1      -0.288  -0.159  -4.946  1.00  0.00           C  
HETATM   19  O   UNL     1       0.425   0.115  -6.153  1.00  0.00           O  
HETATM   20  O   UNL     1       1.996  -0.870   1.236  1.00  0.00           O  
HETATM   21  O   UNL     1       1.420   1.390   1.165  1.00  0.00           O  
HETATM   22  H   UNL     1       0.314   0.086   7.015  1.00  0.00           H  
HETATM   23  H   UNL     1       1.844  -0.545   3.732  1.00  0.00           H  
HETATM   24  H   UNL     1       1.405   1.179   3.678  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.721   0.602   2.541  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.282  -1.122   2.595  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.311  -1.254   0.049  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.074   1.617   0.140  1.00  0.00           H  
HETATM   29  H   UNL     1      -4.527   0.382   0.205  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.597   1.648   1.043  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.640   1.604  -0.735  1.00  0.00           H  
HETATM   32  H   UNL     1       1.596  -1.671  -1.316  1.00  0.00           H  
HETATM   33  H   UNL     1       1.077   1.127  -1.257  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.021   0.457  -2.394  1.00  0.00           H  
HETATM   35  H   UNL     1       0.251  -2.087  -2.494  1.00  0.00           H  
HETATM   36  H   UNL     1       1.498  -0.533  -3.802  1.00  0.00           H  
HETATM   37  H   UNL     1       0.225   2.011  -3.702  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.600  -1.203  -4.938  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.166   0.483  -4.888  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.181  -0.066  -6.884  1.00  0.00           H  
HETATM   41  H   UNL     1       1.608  -1.754   1.290  1.00  0.00           H  
HETATM   42  H   UNL     1       0.656   1.981   1.125  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    2    1    1                                                 
CONECT    3    1   22                                                 
CONECT    4    1    5   23   24                                       
CONECT    5    4    6   25   26                                       
CONECT    6    5    7   20   21                                       
CONECT    7    6    8   13   27                                       
CONECT    8    7    9   28                                            
CONECT    9    8   10   11   11                                       
CONECT   10    9   29   30   31                                       
CONECT   11    9    9                                                 
CONECT   12   13   32                                                 
CONECT   13    7   12   14   33                                       
CONECT   14   13   15   16   34                                       
CONECT   15   14   35                                                 
CONECT   16   14   17   18   36                                       
CONECT   17   16   37                                                 
CONECT   18   16   19   38   39                                       
CONECT   19   18   40                                                 
CONECT   20    6   41                                                 
CONECT   21    6   42                                                 
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    7                                                      
CONECT   28    8                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
