COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.684  -0.173   0.216  1.00  0.00           C  
HETATM    2  C   UNL     1       6.701  -1.303   0.392  1.00  0.00           C  
HETATM    3  C   UNL     1       6.550  -0.613  -0.965  1.00  0.00           C  
HETATM    4  C   UNL     1       4.203  -0.554   0.187  1.00  0.00           C  
HETATM    5  O   UNL     1       3.407   0.631   0.134  1.00  0.00           O  
HETATM    6  C   UNL     1       2.059   0.468   0.102  1.00  0.00           C  
HETATM    7  C   UNL     1       1.239   1.575   0.051  1.00  0.00           C  
HETATM    8  C   UNL     1       0.171  -1.014   0.085  1.00  0.00           C  
HETATM    9  C   UNL     1       1.519  -0.821   0.117  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.687   0.092   0.038  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.149   1.402   0.018  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.290   2.251  -0.061  1.00  0.00           C  
HETATM   13  N   UNL     1      -2.837   1.046  -0.044  1.00  0.00           N  
HETATM   14  N   UNL     1      -0.993   2.445  -0.032  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.095  -0.053   0.004  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.679  -1.302   0.016  1.00  0.00           N  
HETATM   17  C   UNL     1      -3.559  -1.462   1.188  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.963  -1.825   0.659  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.666  -2.406  -0.749  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.478  -1.525  -1.207  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.197   3.453  -0.116  1.00  0.00           C  
HETATM   22  H   UNL     1       5.914   0.787   0.678  1.00  0.00           H  
HETATM   23  H   UNL     1       7.600  -1.086   0.970  1.00  0.00           H  
HETATM   24  H   UNL     1       6.315  -2.317   0.487  1.00  0.00           H  
HETATM   25  H   UNL     1       6.065  -1.174  -1.764  1.00  0.00           H  
HETATM   26  H   UNL     1       7.350   0.058  -1.281  1.00  0.00           H  
HETATM   27  H   UNL     1       4.003  -1.166  -0.693  1.00  0.00           H  
HETATM   28  H   UNL     1       3.955  -1.119   1.086  1.00  0.00           H  
HETATM   29  H   UNL     1       1.665   2.568   0.036  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.235  -2.015   0.096  1.00  0.00           H  
HETATM   31  H   UNL     1       2.178  -1.676   0.153  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.185  -2.263   1.826  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.604  -0.528   1.749  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.432  -2.575   1.295  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.588  -0.935   0.584  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.373  -3.454  -0.684  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.523  -2.282  -1.411  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.840  -0.575  -1.602  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.885  -2.047  -1.958  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.442   3.770   0.897  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.692   4.265  -0.639  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.112   3.193  -0.648  1.00  0.00           H  
CONECT    1    2    3    4   22                                       
CONECT    2    1    3   23   24                                       
CONECT    3    1    2   25   26                                       
CONECT    4    1    5   27   28                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7    9                                       
CONECT    7    6    6   11   29                                       
CONECT    8    9    9   10   30                                       
CONECT    9    6    8    8   31                                       
CONECT   10    8   11   11   15                                       
CONECT   11    7   10   10   14                                       
CONECT   12   13   14   14   21                                       
CONECT   13   12   15   15                                            
CONECT   14   11   12   12                                            
CONECT   15   10   13   13   16                                       
CONECT   16   15   17   20                                            
CONECT   17   16   18   32   33                                       
CONECT   18   17   19   34   35                                       
CONECT   19   18   20   36   37                                       
CONECT   20   16   19   38   39                                       
CONECT   21   12   40   41   42                                       
CONECT   22    1                                                      
CONECT   23    2                                                      
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   17                                                      
CONECT   33   17                                                      
CONECT   34   18                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   19                                                      
CONECT   38   20                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
