COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.688  -0.927  -0.477  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.793  -1.972  -0.345  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.099  -3.045   0.471  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.638   1.296  -0.574  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.192   2.363   0.023  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.996   2.507   0.484  1.00  0.00           C  
HETATM    7  C   UNL     1       0.271   2.085   0.592  1.00  0.00           C  
HETATM    8  C   UNL     1       0.147   0.927  -0.178  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.113   0.547  -0.635  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.201   1.353  -0.297  1.00  0.00           C  
HETATM   11  C   UNL     1       1.343   0.109  -0.506  1.00  0.00           C  
HETATM   12  C   UNL     1       1.359  -1.071  -1.273  1.00  0.00           C  
HETATM   13  C   UNL     1       2.626   0.369  -0.122  1.00  0.00           C  
HETATM   14  C   UNL     1       6.681  -1.489   1.071  1.00  0.00           C  
HETATM   15  C   UNL     1       6.988   0.555  -0.193  1.00  0.00           C  
HETATM   16  C   UNL     1       5.481   0.677  -0.432  1.00  0.00           C  
HETATM   17  N   UNL     1       7.229  -0.127   1.085  1.00  0.00           N  
HETATM   18  C   UNL     1       5.165  -1.429   0.869  1.00  0.00           C  
HETATM   19  C   UNL     1       4.858  -0.722  -0.454  1.00  0.00           C  
HETATM   20  N   UNL     1       3.408  -0.609  -0.624  1.00  0.00           N  
HETATM   21  N   UNL     1       2.593  -1.496  -1.339  1.00  0.00           N  
HETATM   22  N   UNL     1      -0.774   2.823   0.894  1.00  0.00           N  
HETATM   23  N   UNL     1      -3.226   3.096   0.659  1.00  0.00           N  
HETATM   24  C   UNL     1      -4.358   0.240  -1.372  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.889  -0.955   0.207  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.192  -2.024   1.029  1.00  0.00           C  
HETATM   27  C   UNL     1      -5.300  -3.073   1.155  1.00  0.00           C  
HETATM   28  H   UNL     1      -2.855  -1.951  -0.880  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.401  -3.862   0.573  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.244   2.607   0.005  1.00  0.00           H  
HETATM   31  H   UNL     1       1.247   2.381   0.947  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.243  -0.342  -1.233  1.00  0.00           H  
HETATM   33  H   UNL     1       0.501  -1.544  -1.728  1.00  0.00           H  
HETATM   34  H   UNL     1       2.956   1.206   0.475  1.00  0.00           H  
HETATM   35  H   UNL     1       7.133  -2.054   0.255  1.00  0.00           H  
HETATM   36  H   UNL     1       6.902  -1.980   2.019  1.00  0.00           H  
HETATM   37  H   UNL     1       7.439  -0.019  -1.002  1.00  0.00           H  
HETATM   38  H   UNL     1       7.432   1.550  -0.163  1.00  0.00           H  
HETATM   39  H   UNL     1       5.032   1.263   0.369  1.00  0.00           H  
HETATM   40  H   UNL     1       5.303   1.170  -1.388  1.00  0.00           H  
HETATM   41  H   UNL     1       6.854   0.406   1.855  1.00  0.00           H  
HETATM   42  H   UNL     1       4.761  -2.441   0.843  1.00  0.00           H  
HETATM   43  H   UNL     1       4.710  -0.876   1.691  1.00  0.00           H  
HETATM   44  H   UNL     1       5.280  -1.295  -1.280  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.386   3.911   1.160  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.719  -0.098  -2.188  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.278   0.657  -1.780  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.590  -0.140   0.101  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.130  -2.046   1.564  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.539  -3.911   1.793  1.00  0.00           H  
CONECT    1    2    2   25   24                                       
CONECT    2    3    1    1   28                                       
CONECT    3   27   27    2   29                                       
CONECT    4   24    5    5   10                                       
CONECT    5    4    4   23   30                                       
CONECT    6   23   10   10   22                                       
CONECT    7   22   22    8   31                                       
CONECT    8    9    9    7   11                                       
CONECT    9   10    8    8   32                                       
CONECT   10    4    6    6    9                                       
CONECT   11   12    8   13   13                                       
CONECT   12   11   21   21   33                                       
CONECT   13   11   11   20   34                                       
CONECT   14   18   17   35   36                                       
CONECT   15   17   16   37   38                                       
CONECT   16   19   15   39   40                                       
CONECT   17   14   15   41                                            
CONECT   18   14   19   42   43                                       
CONECT   19   18   20   16   44                                       
CONECT   20   21   13   19                                            
CONECT   21   12   12   20                                            
CONECT   22    6    7    7                                            
CONECT   23    5    6   45                                            
CONECT   24    1    4   46   47                                       
CONECT   25   26   26    1   48                                       
CONECT   26   27   25   25   49                                       
CONECT   27    3    3   26   50                                       
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   15                                                      
CONECT   39   16                                                      
CONECT   40   16                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   23                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
