COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.302   3.692  -0.503  1.00  0.00           C  
HETATM    2  O   UNL     1      -2.644   2.431  -0.366  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.430   1.346  -0.145  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.855   0.075   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.800   1.487  -0.055  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.608   0.381   0.171  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.059  -0.873   0.310  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.678  -1.043   0.229  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.851  -2.131   0.327  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.287  -3.510   0.564  1.00  0.00           C  
HETATM   11  N   UNL     1      -1.525  -1.717   0.165  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.480  -0.426  -0.031  1.00  0.00           C  
HETATM   13  N   UNL     1      -0.326   0.340  -0.232  1.00  0.00           N  
HETATM   14  C   UNL     1       0.884  -0.254  -0.236  1.00  0.00           C  
HETATM   15  O   UNL     1       0.973  -1.454  -0.065  1.00  0.00           O  
HETATM   16  N   UNL     1       1.995   0.483  -0.431  1.00  0.00           N  
HETATM   17  C   UNL     1       3.259  -0.117  -0.343  1.00  0.00           C  
HETATM   18  C   UNL     1       3.438  -1.426  -0.765  1.00  0.00           C  
HETATM   19  C   UNL     1       4.685  -2.016  -0.678  1.00  0.00           C  
HETATM   20  C   UNL     1       5.755  -1.304  -0.169  1.00  0.00           C  
HETATM   21  C   UNL     1       5.584   0.001   0.254  1.00  0.00           C  
HETATM   22  C   UNL     1       4.339   0.601   0.165  1.00  0.00           C  
HETATM   23  O   UNL     1       4.170   1.887   0.575  1.00  0.00           O  
HETATM   24  C   UNL     1       5.323   2.561   1.084  1.00  0.00           C  
HETATM   25  H   UNL     1      -3.990   3.652  -1.347  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.856   3.913   0.409  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.560   4.472  -0.675  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.247   2.465  -0.162  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.678   0.506   0.240  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.698  -1.726   0.486  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.472  -4.002  -0.391  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.510  -4.048   1.106  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.204  -3.504   1.154  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.398   1.297  -0.369  1.00  0.00           H  
HETATM   35  H   UNL     1       1.921   1.429  -0.632  1.00  0.00           H  
HETATM   36  H   UNL     1       2.603  -1.984  -1.162  1.00  0.00           H  
HETATM   37  H   UNL     1       4.823  -3.035  -1.007  1.00  0.00           H  
HETATM   38  H   UNL     1       6.728  -1.768  -0.103  1.00  0.00           H  
HETATM   39  H   UNL     1       6.423   0.554   0.651  1.00  0.00           H  
HETATM   40  H   UNL     1       5.705   2.024   1.952  1.00  0.00           H  
HETATM   41  H   UNL     1       6.092   2.599   0.313  1.00  0.00           H  
HETATM   42  H   UNL     1       5.050   3.576   1.375  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    5    5                                       
CONECT    4    3    8    8   12                                       
CONECT    5    3    3    6   28                                       
CONECT    6    5    7    7   29                                       
CONECT    7    6    6    8   30                                       
CONECT    8    4    4    7    9                                       
CONECT    9    8   10   11                                            
CONECT   10    9   31   32   33                                       
CONECT   11    9   12   12                                            
CONECT   12    4   11   11   13                                       
CONECT   13   12   14   34                                            
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   35                                            
CONECT   17   16   18   22   22                                       
CONECT   18   17   19   19   36                                       
CONECT   19   18   18   20   37                                       
CONECT   20   19   21   21   38                                       
CONECT   21   20   20   22   39                                       
CONECT   22   17   17   21   23                                       
CONECT   23   22   24                                                 
CONECT   24   23   40   41   42                                       
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    7                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   13                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   21                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
