COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.428  -0.205  -6.584  1.00  0.00           C  
HETATM    2  C   UNL     1       4.755   0.766  -7.530  1.00  0.00           C  
HETATM    3  C   UNL     1       4.871   0.417  -8.876  1.00  0.00           C  
HETATM    4  C   UNL     1       4.660  -0.903  -9.275  1.00  0.00           C  
HETATM    5  C   UNL     1       4.334  -1.874  -8.328  1.00  0.00           C  
HETATM    6  C   UNL     1       4.223  -1.508  -6.999  1.00  0.00           C  
HETATM    7  O   UNL     1       3.899  -2.472  -6.059  1.00  0.00           O  
HETATM    8  C   UNL     1       2.957  -2.157  -5.129  1.00  0.00           C  
HETATM    9  C   UNL     1       1.779  -1.520  -5.518  1.00  0.00           C  
HETATM   10  C   UNL     1       0.812  -1.197  -4.565  1.00  0.00           C  
HETATM   11  C   UNL     1       3.168  -2.473  -3.787  1.00  0.00           C  
HETATM   12  C   UNL     1       2.202  -2.150  -2.834  1.00  0.00           C  
HETATM   13  C   UNL     1       1.039  -1.517  -3.238  1.00  0.00           C  
HETATM   14  S   UNL     1      -0.186  -1.110  -2.030  1.00  0.00           S  
HETATM   15  O   UNL     1      -1.459  -1.038  -2.725  1.00  0.00           O  
HETATM   16  O   UNL     1      -0.018  -2.009  -0.901  1.00  0.00           O  
HETATM   17  C   UNL     1       0.263   0.513  -1.497  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.661   1.115  -0.424  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.300   2.571  -0.106  1.00  0.00           C  
HETATM   20  F   UNL     1       0.913   2.659   0.488  1.00  0.00           F  
HETATM   21  F   UNL     1      -1.197   3.147   0.725  1.00  0.00           F  
HETATM   22  F   UNL     1      -0.254   3.329  -1.226  1.00  0.00           F  
HETATM   23  N   UNL     1      -2.040   1.122  -0.941  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.702   0.271   0.865  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.524  -0.631   1.033  1.00  0.00           O  
HETATM   26  N   UNL     1       0.247   0.620   1.796  1.00  0.00           N  
HETATM   27  O   UNL     1       0.236  -0.123   2.985  1.00  0.00           O  
HETATM   28  H   UNL     1       4.340   0.073  -5.537  1.00  0.00           H  
HETATM   29  H   UNL     1       4.919   1.794  -7.220  1.00  0.00           H  
HETATM   30  H   UNL     1       5.125   1.174  -9.613  1.00  0.00           H  
HETATM   31  H   UNL     1       4.750  -1.174 -10.322  1.00  0.00           H  
HETATM   32  H   UNL     1       4.170  -2.900  -8.645  1.00  0.00           H  
HETATM   33  H   UNL     1       1.608  -1.271  -6.562  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.101  -0.700  -4.879  1.00  0.00           H  
HETATM   35  H   UNL     1       4.084  -2.970  -3.478  1.00  0.00           H  
HETATM   36  H   UNL     1       2.377  -2.401  -1.791  1.00  0.00           H  
HETATM   37  H   UNL     1       0.284   1.121  -2.408  1.00  0.00           H  
HETATM   38  H   UNL     1       1.295   0.437  -1.135  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.699   1.696  -0.476  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.288   0.412  -1.587  1.00  0.00           H  
HETATM   41  H   UNL     1       0.913   1.366   1.634  1.00  0.00           H  
HETATM   42  H   UNL     1       1.189  -0.180   3.165  1.00  0.00           H  
CONECT    1    6    2    2   28                                       
CONECT    2    1    1    3   29                                       
CONECT    3    2    4    4   30                                       
CONECT    4    3    3    5   31                                       
CONECT    5    4    6    6   32                                       
CONECT    6    1    5    5    7                                       
CONECT    7    6    8                                                 
CONECT    8    7   11    9    9                                       
CONECT    9    8    8   10   33                                       
CONECT   10    9   13   13   34                                       
CONECT   11    8   12   12   35                                       
CONECT   12   11   11   13   36                                       
CONECT   13   10   10   12   14                                       
CONECT   14   13   17   16   16                                       
CONECT   14   15   15                                                 
CONECT   15   14   14                                                 
CONECT   16   14   14                                                 
CONECT   17   14   18   37   38                                       
CONECT   18   17   19   24   23                                       
CONECT   19   18   20   21   22                                       
CONECT   20   19                                                      
CONECT   21   19                                                      
CONECT   22   19                                                      
CONECT   23   18   39   40                                            
CONECT   24   18   26   25   25                                       
CONECT   25   24   24                                                 
CONECT   26   24   27   41                                            
CONECT   27   26   42                                                 
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   23                                                      
CONECT   40   23                                                      
CONECT   41   26                                                      
CONECT   42   27                                                      
MASTER        0    0    0    0    0    0    0    0   42    0   42    0
END
