COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.466   4.312  -1.061  1.00  0.00           C  
HETATM    2  N   UNL     1      -0.111   1.464  -0.073  1.00  0.00           N  
HETATM    3  O   UNL     1       2.161   2.109  -0.352  1.00  0.00           O  
HETATM    4  N   UNL     1      -0.859   0.298  -0.278  1.00  0.00           N  
HETATM    5  C   UNL     1       3.089   4.011   0.815  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.017  -0.661  -0.754  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.393  -2.075  -1.115  1.00  0.00           C  
HETATM    8  C   UNL     1       1.219  -0.114  -0.845  1.00  0.00           C  
HETATM    9  C   UNL     1       3.040  -2.635  -0.009  1.00  0.00           C  
HETATM   10  F   UNL     1      -2.365   2.401   0.713  1.00  0.00           F  
HETATM   11  C   UNL     1      -2.963   1.215   0.465  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.318   1.049   0.701  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.890  -0.186   0.431  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.360  -0.414   0.671  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.883  -1.846   0.547  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.219  -0.813  -0.531  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.097  -1.206  -0.060  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.809  -1.019  -0.274  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.227   0.145  -0.035  1.00  0.00           C  
HETATM   20  C   UNL     1       1.132   1.222  -0.411  1.00  0.00           C  
HETATM   21  C   UNL     1       1.859   3.423   0.121  1.00  0.00           C  
HETATM   22  O   UNL     1       2.345  -0.744  -1.279  1.00  0.00           O  
HETATM   23  C   UNL     1       3.169  -1.294  -0.347  1.00  0.00           C  
HETATM   24  C   UNL     1       4.140  -0.516   0.270  1.00  0.00           C  
HETATM   25  F   UNL     1       4.267   0.789  -0.056  1.00  0.00           F  
HETATM   26  C   UNL     1       4.975  -1.078   1.218  1.00  0.00           C  
HETATM   27  C   UNL     1       4.845  -2.414   1.552  1.00  0.00           C  
HETATM   28  C   UNL     1       3.879  -3.191   0.940  1.00  0.00           C  
HETATM   29  F   UNL     1       2.093  -3.394  -0.603  1.00  0.00           F  
HETATM   30  H   UNL     1       2.293   4.362  -1.768  1.00  0.00           H  
HETATM   31  H   UNL     1       0.590   3.894  -1.555  1.00  0.00           H  
HETATM   32  H   UNL     1       1.235   5.315  -0.700  1.00  0.00           H  
HETATM   33  H   UNL     1       2.859   5.013   1.176  1.00  0.00           H  
HETATM   34  H   UNL     1       3.369   3.377   1.656  1.00  0.00           H  
HETATM   35  H   UNL     1       3.917   4.061   0.107  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.377  -2.696  -0.219  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.394  -2.086  -1.547  1.00  0.00           H  
HETATM   38  H   UNL     1       0.320  -2.467  -1.841  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.916   1.862   1.085  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.818   0.226   1.426  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.163  -2.624   0.292  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.684  -2.150   1.221  1.00  0.00           H  
HETATM   43  H   UNL     1      -8.241  -0.437  -0.566  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.720  -0.912  -1.495  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.537  -2.170  -0.266  1.00  0.00           H  
HETATM   46  H   UNL     1       1.032   3.373   0.829  1.00  0.00           H  
HETATM   47  H   UNL     1       5.731  -0.474   1.698  1.00  0.00           H  
HETATM   48  H   UNL     1       5.498  -2.850   2.293  1.00  0.00           H  
HETATM   49  H   UNL     1       3.780  -4.234   1.203  1.00  0.00           H  
CONECT    1   21   30   31   32                                       
CONECT    2    4   20   20                                            
CONECT    3   20   21                                                 
CONECT    4    6   19    2                                            
CONECT    5   21   33   34   35                                       
CONECT    6    7    8    8    4                                       
CONECT    7    6   36   37   38                                       
CONECT    8    6    6   22   20                                       
CONECT    9   29   28   28   23                                       
CONECT   10   11                                                      
CONECT   11   19   19   12   10                                       
CONECT   12   13   13   11   39                                       
CONECT   13   17   14   12   12                                       
CONECT   14   13   16   15   40                                       
CONECT   15   14   16   41   42                                       
CONECT   16   14   15   43   44                                       
CONECT   17   18   18   13   45                                       
CONECT   18   17   17   19                                            
CONECT   19   18    4   11   11                                       
CONECT   20    8    2    2    3                                       
CONECT   21    3    1    5   46                                       
CONECT   22   23    8                                                 
CONECT   23    9   22   24   24                                       
CONECT   24   23   23   26   25                                       
CONECT   25   24                                                      
CONECT   26   27   27   24   47                                       
CONECT   27   28   26   26   48                                       
CONECT   28    9    9   27   49                                       
CONECT   29    9                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   21                                                      
CONECT   47   26                                                      
CONECT   48   27                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
