COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.108  -2.452  -0.118  1.00  0.00           C  
HETATM    2  N   UNL     1      -3.288  -3.008  -0.180  1.00  0.00           N  
HETATM    3  C   UNL     1       0.334   2.435   1.077  1.00  0.00           C  
HETATM    4  C   UNL     1       1.048   3.614   1.166  1.00  0.00           C  
HETATM    5  C   UNL     1       0.662   4.715   0.423  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.153   3.462  -0.508  1.00  0.00           C  
HETATM    7  C   UNL     1       1.168   1.099  -1.883  1.00  0.00           C  
HETATM    8  C   UNL     1       3.998  -0.385  -0.880  1.00  0.00           C  
HETATM    9  C   UNL     1       6.411  -0.984  -0.806  1.00  0.00           C  
HETATM   10  C   UNL     1       5.000  -1.106  -0.292  1.00  0.00           C  
HETATM   11  C   UNL     1       4.726  -1.948   0.777  1.00  0.00           C  
HETATM   12  C   UNL     1       3.441  -2.074   1.263  1.00  0.00           C  
HETATM   13  C   UNL     1       2.408  -1.352   0.681  1.00  0.00           C  
HETATM   14  C   UNL     1       0.488  -0.414   0.075  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.945  -0.089   0.067  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.994  -0.995  -0.016  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.504  -0.937  -0.064  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.231  -0.205   0.012  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.769   2.355   0.237  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.439   4.640  -0.410  1.00  0.00           C  
HETATM   21  C   UNL     1       1.412   0.106  -0.775  1.00  0.00           C  
HETATM   22  C   UNL     1       2.691  -0.499  -0.402  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.963  -3.241  -0.142  1.00  0.00           N  
HETATM   24  N   UNL     1      -4.476  -2.282  -0.155  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.888   1.060   0.105  1.00  0.00           N  
HETATM   26  N   UNL     1      -1.492   1.160   0.140  1.00  0.00           N  
HETATM   27  O   UNL     1       1.085  -1.269   0.929  1.00  0.00           O  
HETATM   28  O   UNL     1      -5.565  -0.339  -0.046  1.00  0.00           O  
HETATM   29  H   UNL     1       0.635   1.576   1.658  1.00  0.00           H  
HETATM   30  H   UNL     1       1.908   3.676   1.816  1.00  0.00           H  
HETATM   31  H   UNL     1       1.222   5.636   0.494  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.010   3.403  -1.163  1.00  0.00           H  
HETATM   33  H   UNL     1       1.360   2.107  -1.516  1.00  0.00           H  
HETATM   34  H   UNL     1       1.836   0.883  -2.717  1.00  0.00           H  
HETATM   35  H   UNL     1       0.133   1.024  -2.216  1.00  0.00           H  
HETATM   36  H   UNL     1       4.217   0.272  -1.708  1.00  0.00           H  
HETATM   37  H   UNL     1       6.923  -0.181  -0.276  1.00  0.00           H  
HETATM   38  H   UNL     1       6.940  -1.923  -0.642  1.00  0.00           H  
HETATM   39  H   UNL     1       6.391  -0.760  -1.873  1.00  0.00           H  
HETATM   40  H   UNL     1       5.527  -2.510   1.232  1.00  0.00           H  
HETATM   41  H   UNL     1       3.240  -2.733   2.094  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.738   5.502  -0.988  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.039  -4.208  -0.107  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.088  -2.826  -0.194  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.317  -2.763  -0.205  1.00  0.00           H  
CONECT    1   23   16    2    2                                       
CONECT    2    1    1   24                                            
CONECT    3    4    4   19   29                                       
CONECT    4    5    3    3   30                                       
CONECT    5   20   20    4   31                                       
CONECT    6   20   19   19   32                                       
CONECT    7   21   33   34   35                                       
CONECT    8   10   10   22   36                                       
CONECT    9   10   37   38   39                                       
CONECT   10    9    8    8   11                                       
CONECT   11   10   12   12   40                                       
CONECT   12   11   11   13   41                                       
CONECT   13   22   22   12   27                                       
CONECT   14   21   21   27   15                                       
CONECT   15   14   26   16   16                                       
CONECT   16   15   15    1   18                                       
CONECT   17   18   24   28   28                                       
CONECT   18   16   25   25   17                                       
CONECT   19    6    6    3   26                                       
CONECT   20    5    5    6   42                                       
CONECT   21    7   22   14   14                                       
CONECT   22    8   21   13   13                                       
CONECT   23    1   43   44                                            
CONECT   24    2   17   45                                            
CONECT   25   26   18   18                                            
CONECT   26   19   15   25                                            
CONECT   27   13   14                                                 
CONECT   28   17   17                                                 
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    5                                                      
CONECT   32    6                                                      
CONECT   33    7                                                      
CONECT   34    7                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   20                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
