COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.441   1.344   0.213  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.697   0.138   0.242  1.00  0.00           C  
HETATM    3  N   UNL     1      -5.700   1.035   0.036  1.00  0.00           N  
HETATM    4  C   UNL     1      -4.595  -0.898   0.071  1.00  0.00           C  
HETATM    5  N   UNL     1      -5.815  -0.356  -0.060  1.00  0.00           N  
HETATM    6  C   UNL     1      -7.062  -1.099  -0.261  1.00  0.00           C  
HETATM    7  O   UNL     1      -3.937   2.598   0.351  1.00  0.00           O  
HETATM    8  C   UNL     1      -4.263  -2.367   0.032  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.241   0.013   0.420  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.772  -0.096   1.537  1.00  0.00           O  
HETATM   11  N   UNL     1      -1.427   0.019  -0.655  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.038   0.004  -0.482  1.00  0.00           C  
HETATM   13  C   UNL     1       0.660   1.201  -0.363  1.00  0.00           C  
HETATM   14  C   UNL     1       0.640  -1.209  -0.423  1.00  0.00           C  
HETATM   15  C   UNL     1       2.032   1.188  -0.192  1.00  0.00           C  
HETATM   16  C   UNL     1       2.012  -1.227  -0.251  1.00  0.00           C  
HETATM   17  C   UNL     1       2.716  -0.027  -0.137  1.00  0.00           C  
HETATM   18  C   UNL     1       4.187  -0.044   0.047  1.00  0.00           C  
HETATM   19  C   UNL     1       5.022   0.481  -0.939  1.00  0.00           C  
HETATM   20  C   UNL     1       4.741  -0.578   1.209  1.00  0.00           C  
HETATM   21  C   UNL     1       6.390   0.463  -0.762  1.00  0.00           C  
HETATM   22  C   UNL     1       6.111  -0.591   1.375  1.00  0.00           C  
HETATM   23  C   UNL     1       6.935  -0.075   0.390  1.00  0.00           C  
HETATM   24  F   UNL     1      -0.003   2.377  -0.417  1.00  0.00           F  
HETATM   25  F   UNL     1       2.709   2.351  -0.077  1.00  0.00           F  
HETATM   26  F   UNL     1       2.671  -2.405  -0.193  1.00  0.00           F  
HETATM   27  F   UNL     1      -0.042  -2.370  -0.533  1.00  0.00           F  
HETATM   28  H   UNL     1      -7.504  -1.335   0.707  1.00  0.00           H  
HETATM   29  H   UNL     1      -7.758  -0.491  -0.839  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.853  -2.023  -0.800  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.312  -2.777   1.041  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.979  -2.885  -0.606  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.257  -2.503  -0.366  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.804   0.035  -1.549  1.00  0.00           H  
HETATM   35  H   UNL     1       4.598   0.900  -1.840  1.00  0.00           H  
HETATM   36  H   UNL     1       4.099  -0.982   1.978  1.00  0.00           H  
HETATM   37  H   UNL     1       7.038   0.868  -1.526  1.00  0.00           H  
HETATM   38  H   UNL     1       6.541  -1.005   2.274  1.00  0.00           H  
HETATM   39  H   UNL     1       8.006  -0.087   0.524  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.902   2.909   1.265  1.00  0.00           H  
CONECT    1    2    3    3    7                                       
CONECT    2    9    4    4    1                                       
CONECT    3    5    1    1                                            
CONECT    4    8    2    2    5                                       
CONECT    5    4    6    3                                            
CONECT    6    5   28   29   30                                       
CONECT    7    1   40                                                 
CONECT    8    4   31   32   33                                       
CONECT    9   10   10    2   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   34                                            
CONECT   12   14   11   13   13                                       
CONECT   13   12   12   15   24                                       
CONECT   14   27   16   16   12                                       
CONECT   15   17   17   13   25                                       
CONECT   16   26   14   14   17                                       
CONECT   17   16   18   15   15                                       
CONECT   18   20   17   19   19                                       
CONECT   19   18   18   21   35                                       
CONECT   20   22   22   18   36                                       
CONECT   21   23   23   19   37                                       
CONECT   22   20   20   23   38                                       
CONECT   23   22   21   21   39                                       
CONECT   24   13                                                      
CONECT   25   15                                                      
CONECT   26   16                                                      
CONECT   27   14                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33    8                                                      
CONECT   34   11                                                      
CONECT   35   19                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40    7                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
