COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.515   1.095  -0.311  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.614   0.119  -0.298  1.00  0.00           N  
HETATM    3  C   UNL     1      -2.070   2.414  -0.491  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.692   2.648  -0.650  1.00  0.00           C  
HETATM    5  N   UNL     1      -0.527   3.997  -0.806  1.00  0.00           N  
HETATM    6  C   UNL     1      -1.744   4.628  -0.752  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.717   3.723  -0.563  1.00  0.00           C  
HETATM    8  N   UNL     1       0.140   1.607  -0.624  1.00  0.00           N  
HETATM    9  C   UNL     1      -0.322   0.380  -0.452  1.00  0.00           C  
HETATM   10  N   UNL     1       0.579  -0.673  -0.431  1.00  0.00           N  
HETATM   11  C   UNL     1       1.956  -0.418  -0.445  1.00  0.00           C  
HETATM   12  C   UNL     1       2.841  -1.390  -0.907  1.00  0.00           C  
HETATM   13  O   UNL     1       2.370  -2.588  -1.344  1.00  0.00           O  
HETATM   14  C   UNL     1       3.336  -3.536  -1.803  1.00  0.00           C  
HETATM   15  C   UNL     1       2.441   0.805  -0.006  1.00  0.00           C  
HETATM   16  C   UNL     1       3.800   1.054  -0.022  1.00  0.00           C  
HETATM   17  C   UNL     1       4.679   0.088  -0.475  1.00  0.00           C  
HETATM   18  C   UNL     1       4.202  -1.132  -0.920  1.00  0.00           C  
HETATM   19  C   UNL     1       6.160   0.366  -0.491  1.00  0.00           C  
HETATM   20  S   UNL     1       6.888  -0.145   1.089  1.00  0.00           S  
HETATM   21  O   UNL     1       6.362   0.682   2.119  1.00  0.00           O  
HETATM   22  O   UNL     1       6.773  -1.556   1.206  1.00  0.00           O  
HETATM   23  C   UNL     1       8.637   0.275   0.849  1.00  0.00           C  
HETATM   24  O   UNL     1      -6.257   0.553   2.213  1.00  0.00           O  
HETATM   25  C   UNL     1      -6.380   0.246   1.043  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.285   0.880   0.271  1.00  0.00           N  
HETATM   27  C   UNL     1      -5.538  -0.817   0.468  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.969  -2.148   0.495  1.00  0.00           C  
HETATM   29  F   UNL     1      -7.160  -2.463   1.050  1.00  0.00           F  
HETATM   30  C   UNL     1      -5.174  -3.140  -0.047  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.953  -2.823  -0.616  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.515  -1.514  -0.650  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.301  -0.502  -0.116  1.00  0.00           C  
HETATM   34  N   UNL     1      -3.863   0.817  -0.155  1.00  0.00           N  
HETATM   35  H   UNL     1       0.326   4.442  -0.936  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.896   5.693  -0.848  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.775   3.924  -0.480  1.00  0.00           H  
HETATM   38  H   UNL     1       0.255  -1.587  -0.406  1.00  0.00           H  
HETATM   39  H   UNL     1       3.889  -3.115  -2.643  1.00  0.00           H  
HETATM   40  H   UNL     1       4.028  -3.771  -0.994  1.00  0.00           H  
HETATM   41  H   UNL     1       2.829  -4.446  -2.122  1.00  0.00           H  
HETATM   42  H   UNL     1       1.757   1.562   0.348  1.00  0.00           H  
HETATM   43  H   UNL     1       4.177   2.007   0.320  1.00  0.00           H  
HETATM   44  H   UNL     1       4.891  -1.883  -1.277  1.00  0.00           H  
HETATM   45  H   UNL     1       6.626  -0.192  -1.304  1.00  0.00           H  
HETATM   46  H   UNL     1       6.327   1.433  -0.641  1.00  0.00           H  
HETATM   47  H   UNL     1       8.731   1.344   0.661  1.00  0.00           H  
HETATM   48  H   UNL     1       9.200   0.012   1.745  1.00  0.00           H  
HETATM   49  H   UNL     1       9.030  -0.281  -0.002  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.839   1.581   0.650  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.382   0.636  -0.663  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.506  -4.167  -0.025  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.338  -3.605  -1.036  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.560  -1.276  -1.096  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.501   1.543  -0.074  1.00  0.00           H  
CONECT    1    2    2    3   34                                       
CONECT    2    1    1    9                                            
CONECT    3    1    4    4    7                                       
CONECT    4    3    3    5    8                                       
CONECT    5    4    6   35                                            
CONECT    6    5    7    7   36                                       
CONECT    7    3    6    6   37                                       
CONECT    8    4    9    9                                            
CONECT    9    2    8    8   10                                       
CONECT   10    9   11   38                                            
CONECT   11   10   12   12   15                                       
CONECT   12   11   11   13   18                                       
CONECT   13   12   14                                                 
CONECT   14   13   39   40   41                                       
CONECT   15   11   16   16   42                                       
CONECT   16   15   15   17   43                                       
CONECT   17   16   18   18   19                                       
CONECT   18   12   17   17   44                                       
CONECT   19   17   20   45   46                                       
CONECT   20   19   21   21   22                                       
CONECT   20   22   23                                                 
CONECT   21   20   20                                                 
CONECT   22   20   20                                                 
CONECT   23   20   47   48   49                                       
CONECT   24   25   25                                                 
CONECT   25   24   24   26   27                                       
CONECT   26   25   50   51                                            
CONECT   27   25   28   28   33                                       
CONECT   28   27   27   29   30                                       
CONECT   29   28                                                      
CONECT   30   28   31   31   52                                       
CONECT   31   30   30   32   53                                       
CONECT   32   31   33   33   54                                       
CONECT   33   27   32   32   34                                       
CONECT   34    1   33   55                                            
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38   10                                                      
CONECT   39   14                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   18                                                      
CONECT   45   19                                                      
CONECT   46   19                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   32                                                      
CONECT   55   34                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
