COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.520   3.440  -0.918  1.00  0.00           C  
HETATM    2  C   UNL     1      -5.640   2.387  -0.297  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.754   1.523  -0.974  1.00  0.00           C  
HETATM    4  N   UNL     1      -5.543   2.101   0.970  1.00  0.00           N  
HETATM    5  O   UNL     1      -4.754   1.207   1.173  1.00  0.00           O  
HETATM    6  C   UNL     1      -4.201   0.771   0.027  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.199  -0.305  -0.121  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.534  -1.494  -0.815  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.606  -2.478  -0.948  1.00  0.00           C  
HETATM   10  F   UNL     1      -2.911  -3.618  -1.607  1.00  0.00           F  
HETATM   11  C   UNL     1      -1.951  -0.150   0.405  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.019  -1.135   0.273  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.322  -2.299  -0.390  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.235  -3.053  -0.356  1.00  0.00           N  
HETATM   15  N   UNL     1       0.698  -2.433   0.276  1.00  0.00           N  
HETATM   16  C   UNL     1       0.273  -1.263   0.679  1.00  0.00           C  
HETATM   17  C   UNL     1       1.070  -0.243   1.452  1.00  0.00           C  
HETATM   18  C   UNL     1       1.202  -0.696   2.908  1.00  0.00           C  
HETATM   19  N   UNL     1       2.403  -0.113   0.859  1.00  0.00           N  
HETATM   20  C   UNL     1       3.211  -1.210   0.805  1.00  0.00           C  
HETATM   21  C   UNL     1       4.445  -1.172   0.276  1.00  0.00           C  
HETATM   22  C   UNL     1       4.959   0.086  -0.267  1.00  0.00           C  
HETATM   23  N   UNL     1       6.174   0.175  -0.799  1.00  0.00           N  
HETATM   24  C   UNL     1       6.625   1.312  -1.285  1.00  0.00           C  
HETATM   25  C   UNL     1       5.859   2.469  -1.264  1.00  0.00           C  
HETATM   26  C   UNL     1       4.587   2.439  -0.723  1.00  0.00           C  
HETATM   27  C   UNL     1       4.123   1.225  -0.212  1.00  0.00           C  
HETATM   28  C   UNL     1       2.788   1.087   0.379  1.00  0.00           C  
HETATM   29  O   UNL     1       2.039   2.044   0.439  1.00  0.00           O  
HETATM   30  H   UNL     1      -7.486   3.003  -1.172  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.666   4.256  -0.210  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.047   3.823  -1.822  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.558   1.469  -2.034  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.521  -1.618  -1.236  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.699   0.760   0.929  1.00  0.00           H  
HETATM   36  H   UNL     1       0.560   0.719   1.416  1.00  0.00           H  
HETATM   37  H   UNL     1       0.210  -0.793   3.349  1.00  0.00           H  
HETATM   38  H   UNL     1       1.712  -1.659   2.944  1.00  0.00           H  
HETATM   39  H   UNL     1       1.778   0.041   3.467  1.00  0.00           H  
HETATM   40  H   UNL     1       2.845  -2.145   1.202  1.00  0.00           H  
HETATM   41  H   UNL     1       5.055  -2.064   0.253  1.00  0.00           H  
HETATM   42  H   UNL     1       7.618   1.346  -1.710  1.00  0.00           H  
HETATM   43  H   UNL     1       6.254   3.389  -1.669  1.00  0.00           H  
HETATM   44  H   UNL     1       3.972   3.326  -0.696  1.00  0.00           H  
CONECT    1    2   30   31   32                                       
CONECT    2    4    4    3    1                                       
CONECT    3    6    6    2   33                                       
CONECT    4    5    2    2                                            
CONECT    5    6    4                                                 
CONECT    6    5    7    3    3                                       
CONECT    7   11   11    6    8                                       
CONECT    8    9    9    7   34                                       
CONECT    9   13   10    8    8                                       
CONECT   10    9                                                      
CONECT   11   12    7    7   35                                       
CONECT   12   16   11   13                                            
CONECT   13   14   14   12    9                                       
CONECT   14   15   13   13                                            
CONECT   15   16   16   14                                            
CONECT   16   17   15   15   12                                       
CONECT   17   18   16   19   36                                       
CONECT   18   17   37   38   39                                       
CONECT   19   17   20   28                                            
CONECT   20   19   21   21   40                                       
CONECT   21   20   20   22   41                                       
CONECT   22   21   27   27   23                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   42                                       
CONECT   25   26   26   24   43                                       
CONECT   26   27   25   25   44                                       
CONECT   27   28   22   22   26                                       
CONECT   28   19   29   29   27                                       
CONECT   29   28   28                                                 
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    3                                                      
CONECT   34    8                                                      
CONECT   35   11                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   24                                                      
CONECT   43   25                                                      
CONECT   44   26                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
