COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.432   3.556  -0.057  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.790   3.494   0.226  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.370   2.316   0.639  1.00  0.00           C  
HETATM    4  C   UNL     1       0.352   2.444   0.065  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.215   1.235   0.477  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.589   1.170   0.775  1.00  0.00           C  
HETATM    7  N   UNL     1      -1.881  -0.120   1.151  1.00  0.00           N  
HETATM    8  C   UNL     1      -0.733  -0.896   1.105  1.00  0.00           C  
HETATM    9  C   UNL     1       0.325  -0.107   0.705  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.654  -2.317   1.438  1.00  0.00           C  
HETATM   11  O   UNL     1       0.410  -2.902   1.362  1.00  0.00           O  
HETATM   12  O   UNL     1      -1.762  -2.981   1.828  1.00  0.00           O  
HETATM   13  C   UNL     1      -3.207  -0.603   1.543  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.941  -1.100   0.324  1.00  0.00           C  
HETATM   15  C   UNL     1       0.180   4.857  -0.508  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.731  -0.242  -0.428  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.390  -0.728  -1.540  1.00  0.00           C  
HETATM   18  N   UNL     1      -5.277  -1.994  -1.893  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.533  -2.844  -1.202  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.837  -2.421  -0.074  1.00  0.00           C  
HETATM   21  N   UNL     1       1.648  -0.512   0.535  1.00  0.00           N  
HETATM   22  C   UNL     1       2.487  -0.438   1.576  1.00  0.00           C  
HETATM   23  N   UNL     1       3.774  -0.803   1.514  1.00  0.00           N  
HETATM   24  C   UNL     1       2.039  -0.969  -0.668  1.00  0.00           C  
HETATM   25  O   UNL     1       1.252  -1.028  -1.594  1.00  0.00           O  
HETATM   26  O   UNL     1       2.057  -0.018   2.633  1.00  0.00           O  
HETATM   27  C   UNL     1       4.082  -1.894  -1.950  1.00  0.00           C  
HETATM   28  C   UNL     1       3.445  -1.400  -0.848  1.00  0.00           C  
HETATM   29  C   UNL     1       4.327  -1.298   0.312  1.00  0.00           C  
HETATM   30  C   UNL     1       5.571  -1.711   0.045  1.00  0.00           C  
HETATM   31  S   UNL     1       5.718  -2.230  -1.623  1.00  0.00           S  
HETATM   32  F   UNL     1      -0.810   5.843  -0.563  1.00  0.00           F  
HETATM   33  F   UNL     1       1.173   5.244   0.398  1.00  0.00           F  
HETATM   34  F   UNL     1       0.745   4.692  -1.777  1.00  0.00           F  
HETATM   35  N   UNL     1      -4.444  -4.170  -1.609  1.00  0.00           N  
HETATM   36  H   UNL     1      -2.398   4.381   0.121  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.427   2.280   0.856  1.00  0.00           H  
HETATM   38  H   UNL     1       1.408   2.499  -0.157  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.612  -3.915   2.026  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.100  -1.418   2.260  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.770   0.211   1.999  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.830   0.796  -0.147  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.005  -0.063  -2.128  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.228  -3.115   0.486  1.00  0.00           H  
HETATM   45  H   UNL     1       4.333  -0.726   2.303  1.00  0.00           H  
HETATM   46  H   UNL     1       3.609  -2.048  -2.909  1.00  0.00           H  
HETATM   47  H   UNL     1       6.379  -1.722   0.762  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.924  -4.469  -2.397  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.900  -4.797  -1.106  1.00  0.00           H  
CONECT    1    2    2   15    4                                       
CONECT    2    1    1    3   36                                       
CONECT    3    2   37    6    6                                       
CONECT    4    1    5    5   38                                       
CONECT    5    4    4    6    9                                       
CONECT    6    5    3    3    7                                       
CONECT    7    6    8   13                                            
CONECT    8    7    9    9   10                                       
CONECT    9    8    8    5   21                                       
CONECT   10    8   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   39                                                 
CONECT   13    7   40   41   14                                       
CONECT   14   13   20   16   16                                       
CONECT   15    1   32   33   34                                       
CONECT   16   14   14   42   17                                       
CONECT   17   16   18   18   43                                       
CONECT   18   17   17   19                                            
CONECT   19   18   35   20   20                                       
CONECT   20   14   19   19   44                                       
CONECT   21    9   24   22                                            
CONECT   22   21   23   26   26                                       
CONECT   23   22   29   45                                            
CONECT   24   21   28   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   22   22                                                 
CONECT   27   46   28   28   31                                       
CONECT   28   24   27   27   29                                       
CONECT   29   23   28   30   30                                       
CONECT   30   29   29   31   47                                       
CONECT   31   30   27                                                 
CONECT   32   15                                                      
CONECT   33   15                                                      
CONECT   34   15                                                      
CONECT   35   19   48   49                                            
CONECT   36    2                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   20                                                      
CONECT   45   23                                                      
CONECT   46   27                                                      
CONECT   47   30                                                      
CONECT   48   35                                                      
CONECT   49   35                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
