COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.221  -0.860  -0.840  1.00  0.00           C  
HETATM    2  C   UNL     1       4.361  -0.217  -1.586  1.00  0.00           C  
HETATM    3  C   UNL     1       5.127   0.685  -0.653  1.00  0.00           C  
HETATM    4  C   UNL     1       6.125   0.161   0.152  1.00  0.00           C  
HETATM    5  C   UNL     1       6.828   0.991   1.009  1.00  0.00           C  
HETATM    6  C   UNL     1       6.533   2.340   1.060  1.00  0.00           C  
HETATM    7  C   UNL     1       5.537   2.862   0.256  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.981   0.133   1.965  1.00  0.00           O  
HETATM    9  S   UNL     1      -4.520   0.774   0.783  1.00  0.00           S  
HETATM   10  C   UNL     1      -2.859   0.237   0.543  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.985   1.012  -0.199  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.683   0.597  -0.390  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.249  -0.605   0.165  1.00  0.00           C  
HETATM   14  C   UNL     1       1.150  -1.056  -0.038  1.00  0.00           C  
HETATM   15  C   UNL     1       1.628  -2.212   0.466  1.00  0.00           C  
HETATM   16  S   UNL     1       3.320  -2.349  -0.006  1.00  0.00           S  
HETATM   17  F   UNL     1       6.411  -1.158   0.101  1.00  0.00           F  
HETATM   18  C   UNL     1       4.838   2.036  -0.604  1.00  0.00           C  
HETATM   19  N   UNL     1       2.037  -0.363  -0.736  1.00  0.00           N  
HETATM   20  C   UNL     1      -1.133  -1.382   0.910  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.432  -0.954   1.100  1.00  0.00           C  
HETATM   22  N   UNL     1      -5.419   0.159  -0.464  1.00  0.00           N  
HETATM   23  C   UNL     1      -6.054  -1.155  -0.331  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.499  -0.978   0.140  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.580   0.928  -1.700  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.530   0.481  -2.719  1.00  0.00           C  
HETATM   27  O   UNL     1      -4.514   2.185   0.616  1.00  0.00           O  
HETATM   28  H   UNL     1       5.025  -0.990  -1.972  1.00  0.00           H  
HETATM   29  H   UNL     1       3.967   0.370  -2.416  1.00  0.00           H  
HETATM   30  H   UNL     1       7.606   0.584   1.637  1.00  0.00           H  
HETATM   31  H   UNL     1       7.081   2.987   1.729  1.00  0.00           H  
HETATM   32  H   UNL     1       5.310   3.917   0.294  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.322   1.944  -0.628  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.002   1.203  -0.970  1.00  0.00           H  
HETATM   35  H   UNL     1       1.073  -2.926   1.057  1.00  0.00           H  
HETATM   36  H   UNL     1       4.060   2.444  -1.232  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.802  -2.315   1.342  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.117  -1.553   1.682  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.046  -1.661  -1.296  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.505  -1.752   0.397  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.506  -0.471   1.105  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.048  -0.381  -0.588  1.00  0.00           H  
HETATM   43  H   UNL     1      -7.971  -1.955   0.239  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.576   0.758  -2.107  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.450   1.989  -1.487  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.533   0.651  -2.313  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.660  -0.580  -2.932  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.649   1.054  -3.639  1.00  0.00           H  
CONECT    1   19   19   16    2                                       
CONECT    2    1    3   28   29                                       
CONECT    3   18    2    4    4                                       
CONECT    4    3    3    5   17                                       
CONECT    5    6    6    4   30                                       
CONECT    6    7    5    5   31                                       
CONECT    7   18   18    6   32                                       
CONECT    8    9    9                                                 
CONECT    9    8    8   27   27                                       
CONECT    9   22   10                                                 
CONECT   10    9   11   11   21                                       
CONECT   11   10   10   12   33                                       
CONECT   12   11   13   13   34                                       
CONECT   13   12   12   20   14                                       
CONECT   14   13   19   15   15                                       
CONECT   15   14   14   16   35                                       
CONECT   16   15    1                                                 
CONECT   17    4                                                      
CONECT   18    7    7    3   36                                       
CONECT   19   14    1    1                                            
CONECT   20   21   21   13   37                                       
CONECT   21   10   20   20   38                                       
CONECT   22   25    9   23                                            
CONECT   23   24   22   39   40                                       
CONECT   24   23   41   42   43                                       
CONECT   25   26   22   44   45                                       
CONECT   26   25   46   47   48                                       
CONECT   27    9    9                                                 
CONECT   28    2                                                      
CONECT   29    2                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   15                                                      
CONECT   36   18                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   24                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
CONECT   48   26                                                      
MASTER        0    0    0    0    0    0    0    0   48    0   48    0
END
