COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.806   3.377   0.995  1.00  0.00           C  
HETATM    2  C   UNL     1       4.224   1.969   1.422  1.00  0.00           C  
HETATM    3  N   UNL     1       3.526   0.980   0.596  1.00  0.00           N  
HETATM    4  C   UNL     1       3.993   0.481  -0.578  1.00  0.00           C  
HETATM    5  O   UNL     1       5.046   0.775  -1.112  1.00  0.00           O  
HETATM    6  C   UNL     1       3.005  -0.476  -1.089  1.00  0.00           C  
HETATM    7  C   UNL     1       2.825  -1.312  -2.177  1.00  0.00           C  
HETATM    8  C   UNL     1       1.669  -2.087  -2.270  1.00  0.00           C  
HETATM    9  C   UNL     1       0.677  -2.068  -1.325  1.00  0.00           C  
HETATM   10  C   UNL     1       0.821  -1.231  -0.205  1.00  0.00           C  
HETATM   11  C   UNL     1       1.984  -0.464  -0.127  1.00  0.00           C  
HETATM   12  C   UNL     1       2.295   0.416   0.905  1.00  0.00           C  
HETATM   13  C   UNL     1       1.361   0.518   1.919  1.00  0.00           C  
HETATM   14  C   UNL     1       0.191  -0.238   1.868  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.102  -1.099   0.845  1.00  0.00           C  
HETATM   16  S   UNL     1      -1.604  -2.022   0.846  1.00  0.00           S  
HETATM   17  O   UNL     1      -1.247  -3.369   0.569  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.314  -1.630   2.013  1.00  0.00           O  
HETATM   19  N   UNL     1      -2.500  -1.500  -0.445  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.915  -0.167  -0.515  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.778   0.542  -1.701  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.189   1.860  -1.768  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.736   2.473  -0.654  1.00  0.00           C  
HETATM   24  F   UNL     1      -4.136   3.761  -0.721  1.00  0.00           F  
HETATM   25  C   UNL     1      -3.874   1.767   0.530  1.00  0.00           C  
HETATM   26  C   UNL     1      -3.470   0.448   0.600  1.00  0.00           C  
HETATM   27  H   UNL     1       4.066   3.531  -0.052  1.00  0.00           H  
HETATM   28  H   UNL     1       2.730   3.492   1.124  1.00  0.00           H  
HETATM   29  H   UNL     1       4.326   4.112   1.610  1.00  0.00           H  
HETATM   30  H   UNL     1       5.300   1.854   1.294  1.00  0.00           H  
HETATM   31  H   UNL     1       3.965   1.815   2.470  1.00  0.00           H  
HETATM   32  H   UNL     1       3.576  -1.365  -2.951  1.00  0.00           H  
HETATM   33  H   UNL     1       1.549  -2.732  -3.127  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.202  -2.685  -1.440  1.00  0.00           H  
HETATM   35  H   UNL     1       1.539   1.182   2.752  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.521  -0.138   2.674  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.738  -2.120  -1.152  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.351   0.065  -2.570  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.082   2.411  -2.690  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.301   2.248   1.398  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.578  -0.102   1.523  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    3    1   30   31                                       
CONECT    3    4   12    2                                            
CONECT    4    6    5    5    3                                       
CONECT    5    4    4                                                 
CONECT    6    7    7   11    4                                       
CONECT    7    8    6    6   32                                       
CONECT    8    9    9    7   33                                       
CONECT    9    8    8   10   34                                       
CONECT   10    9   15   15   11                                       
CONECT   11   10    6   12   12                                       
CONECT   12   11   11   13    3                                       
CONECT   13   14   14   12   35                                       
CONECT   14   15   13   13   36                                       
CONECT   15   16   10   10   14                                       
CONECT   16   19   18   18   17                                       
CONECT   16   17   15                                                 
CONECT   17   16   16                                                 
CONECT   18   16   16                                                 
CONECT   19   20   16   37                                            
CONECT   20   26   26   19   21                                       
CONECT   21   22   22   20   38                                       
CONECT   22   23   21   21   39                                       
CONECT   23   24   25   25   22                                       
CONECT   24   23                                                      
CONECT   25   23   23   26   40                                       
CONECT   26   25   20   20   41                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
