COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.647  -1.230   0.427  1.00  0.00           C  
HETATM    2  C   UNL     1       3.528  -0.573   1.243  1.00  0.00           C  
HETATM    3  C   UNL     1       3.433   0.926   0.943  1.00  0.00           C  
HETATM    4  C   UNL     1       4.805   1.600   1.001  1.00  0.00           C  
HETATM    5  C   UNL     1       5.826   0.819   0.169  1.00  0.00           C  
HETATM    6  C   UNL     1       7.228   1.403   0.301  1.00  0.00           C  
HETATM    7  C   UNL     1       1.521  -1.860   1.947  1.00  0.00           C  
HETATM    8  C   UNL     1       0.247  -2.454   1.446  1.00  0.00           C  
HETATM    9  C   UNL     1       1.239   1.566   1.491  1.00  0.00           C  
HETATM   10  C   UNL     1       0.353   1.485   2.717  1.00  0.00           C  
HETATM   11  C   UNL     1       1.000   2.853   0.722  1.00  0.00           C  
HETATM   12  O   UNL     1       4.790  -2.579   0.869  1.00  0.00           O  
HETATM   13  O   UNL     1       2.593   1.552   1.914  1.00  0.00           O  
HETATM   14  O   UNL     1       4.701   2.928   0.494  1.00  0.00           O  
HETATM   15  O   UNL     1       5.879  -0.536   0.620  1.00  0.00           O  
HETATM   16  O   UNL     1       8.116   0.627  -0.483  1.00  0.00           O  
HETATM   17  O   UNL     1       1.815  -1.971   3.132  1.00  0.00           O  
HETATM   18  O   UNL     1       0.759   1.460   3.871  1.00  0.00           O  
HETATM   19  N   UNL     1       2.262  -1.219   0.974  1.00  0.00           N  
HETATM   20  C   UNL     1       5.814  -3.251   0.153  1.00  0.00           C  
HETATM   21  O   UNL     1      -0.967   1.465   2.397  1.00  0.00           O  
HETATM   22  H   UNL     1       4.397  -1.251  -0.641  1.00  0.00           H  
HETATM   23  H   UNL     1       3.711  -0.720   2.315  1.00  0.00           H  
HETATM   24  H   UNL     1       2.973   1.105  -0.038  1.00  0.00           H  
HETATM   25  H   UNL     1       1.901  -1.201   0.026  1.00  0.00           H  
HETATM   26  H   UNL     1       5.136   1.667   2.045  1.00  0.00           H  
HETATM   27  H   UNL     1       5.554   0.839  -0.895  1.00  0.00           H  
HETATM   28  H   UNL     1       5.563   3.144   0.106  1.00  0.00           H  
HETATM   29  H   UNL     1       7.548   1.373   1.343  1.00  0.00           H  
HETATM   30  H   UNL     1       7.238   2.433  -0.057  1.00  0.00           H  
HETATM   31  H   UNL     1       8.271  -0.203  -0.001  1.00  0.00           H  
HETATM   32  H   UNL     1       0.197  -3.543   1.610  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.639  -2.042   1.957  1.00  0.00           H  
HETATM   34  H   UNL     1       0.052  -2.314   0.371  1.00  0.00           H  
HETATM   35  H   UNL     1       1.073   0.688   0.859  1.00  0.00           H  
HETATM   36  H   UNL     1       0.233   3.464   1.211  1.00  0.00           H  
HETATM   37  H   UNL     1       0.637   2.636  -0.288  1.00  0.00           H  
HETATM   38  H   UNL     1       1.911   3.454   0.643  1.00  0.00           H  
HETATM   39  H   UNL     1       5.880  -4.287   0.495  1.00  0.00           H  
HETATM   40  H   UNL     1       6.768  -2.742   0.315  1.00  0.00           H  
HETATM   41  H   UNL     1       5.572  -3.236  -0.912  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.581   1.428   3.161  1.00  0.00           H  
CONECT    1    2   12   15   22                                       
CONECT    2    1    3   19   23                                       
CONECT    3    2    4   13   24                                       
CONECT    4    3    5   14   26                                       
CONECT    5    4    6   15   27                                       
CONECT    6    5   16   29   30                                       
CONECT    7    8   17   17   19                                       
CONECT    8    7   32   33   34                                       
CONECT    9   10   11   13   35                                       
CONECT   10    9   18   18   21                                       
CONECT   11    9   36   37   38                                       
CONECT   12    1   20                                                 
CONECT   13    3    9                                                 
CONECT   14    4   28                                                 
CONECT   15    1    5                                                 
CONECT   16    6   31                                                 
CONECT   17    7    7                                                 
CONECT   18   10   10                                                 
CONECT   19    2    7   25                                            
CONECT   20   12   39   40   41                                       
CONECT   21   10   42                                                 
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    3                                                      
CONECT   25   19                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28   14                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31   16                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35    9                                                      
CONECT   36   11                                                      
CONECT   37   11                                                      
CONECT   38   11                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   20                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
