COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.452   2.320   1.356  1.00  0.00           O  
HETATM    2  S   UNL     1      -4.381   0.923   1.607  1.00  0.00           S  
HETATM    3  O   UNL     1      -5.127   0.278   2.631  1.00  0.00           O  
HETATM    4  C   UNL     1      -4.814   0.124   0.097  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.307  -1.168   0.117  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.647  -1.796  -1.066  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.494  -1.131  -2.271  1.00  0.00           C  
HETATM    8  F   UNL     1      -5.826  -1.744  -3.428  1.00  0.00           F  
HETATM    9  C   UNL     1      -5.001   0.162  -2.289  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.666   0.790  -1.104  1.00  0.00           C  
HETATM   11  N   UNL     1      -2.788   0.581   1.903  1.00  0.00           N  
HETATM   12  C   UNL     1      -1.796   1.059   1.035  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.660   0.294   0.771  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.517  -0.921   1.359  1.00  0.00           O  
HETATM   15  C   UNL     1       0.531  -1.695   0.975  1.00  0.00           C  
HETATM   16  C   UNL     1       1.097  -2.590   1.874  1.00  0.00           C  
HETATM   17  C   UNL     1       2.160  -3.377   1.488  1.00  0.00           C  
HETATM   18  C   UNL     1       2.668  -3.274   0.192  1.00  0.00           C  
HETATM   19  C   UNL     1       3.809  -4.118  -0.226  1.00  0.00           C  
HETATM   20  N   UNL     1       4.262  -5.043   0.572  1.00  0.00           N  
HETATM   21  N   UNL     1       4.393  -3.925  -1.460  1.00  0.00           N  
HETATM   22  C   UNL     1       2.096  -2.374  -0.709  1.00  0.00           C  
HETATM   23  C   UNL     1       1.030  -1.594  -0.317  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.934   2.299   0.422  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.928   2.731  -0.429  1.00  0.00           C  
HETATM   26  C   UNL     1       0.177   1.920  -0.641  1.00  0.00           C  
HETATM   27  N   UNL     1       0.278   0.741  -0.047  1.00  0.00           N  
HETATM   28  O   UNL     1       1.166   2.338  -1.473  1.00  0.00           O  
HETATM   29  C   UNL     1       2.450   2.194  -1.058  1.00  0.00           C  
HETATM   30  C   UNL     1       2.721   1.602   0.170  1.00  0.00           C  
HETATM   31  C   UNL     1       4.024   1.455   0.593  1.00  0.00           C  
HETATM   32  C   UNL     1       5.072   1.901  -0.213  1.00  0.00           C  
HETATM   33  C   UNL     1       6.472   1.745   0.239  1.00  0.00           C  
HETATM   34  N   UNL     1       7.498   2.307  -0.490  1.00  0.00           N  
HETATM   35  N   UNL     1       6.736   1.075   1.325  1.00  0.00           N  
HETATM   36  C   UNL     1       4.797   2.495  -1.446  1.00  0.00           C  
HETATM   37  C   UNL     1       3.492   2.634  -1.865  1.00  0.00           C  
HETATM   38  H   UNL     1      -5.427  -1.686   1.057  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.032  -2.805  -1.051  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.885   0.683  -3.228  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.282   1.799  -1.118  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.541   0.051   2.676  1.00  0.00           H  
HETATM   43  H   UNL     1       0.704  -2.669   2.877  1.00  0.00           H  
HETATM   44  H   UNL     1       2.601  -4.072   2.188  1.00  0.00           H  
HETATM   45  H   UNL     1       5.010  -5.596   0.297  1.00  0.00           H  
HETATM   46  H   UNL     1       4.009  -3.289  -2.084  1.00  0.00           H  
HETATM   47  H   UNL     1       5.188  -4.425  -1.704  1.00  0.00           H  
HETATM   48  H   UNL     1       2.487  -2.292  -1.712  1.00  0.00           H  
HETATM   49  H   UNL     1       0.585  -0.900  -1.015  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.804   2.911   0.603  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.004   3.689  -0.922  1.00  0.00           H  
HETATM   52  H   UNL     1       1.909   1.258   0.793  1.00  0.00           H  
HETATM   53  H   UNL     1       4.233   0.996   1.548  1.00  0.00           H  
HETATM   54  H   UNL     1       7.302   2.805  -1.299  1.00  0.00           H  
HETATM   55  H   UNL     1       8.416   2.204  -0.194  1.00  0.00           H  
HETATM   56  H   UNL     1       7.645   1.034   1.661  1.00  0.00           H  
HETATM   57  H   UNL     1       5.606   2.842  -2.071  1.00  0.00           H  
HETATM   58  H   UNL     1       3.279   3.089  -2.821  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    2    3   11                                                 
CONECT    3    2    2                                                 
CONECT    4   10    2    5    5                                       
CONECT    5    4    4    6   38                                       
CONECT    6    7    7    5   39                                       
CONECT    7    9    8    6    6                                       
CONECT    8    7                                                      
CONECT    9   10   10    7   40                                       
CONECT   10    9    9    4   41                                       
CONECT   11    2   12   42                                            
CONECT   12   11   24   24   13                                       
CONECT   13   12   14   27   27                                       
CONECT   14   13   15                                                 
CONECT   15   14   23   23   16                                       
CONECT   16   15   17   17   43                                       
CONECT   17   16   16   18   44                                       
CONECT   18   22   22   17   19                                       
CONECT   19   18   20   20   21                                       
CONECT   20   19   19   45                                            
CONECT   21   19   46   47                                            
CONECT   22   23   18   18   48                                       
CONECT   23   15   15   22   49                                       
CONECT   24   12   12   25   50                                       
CONECT   25   24   26   26   51                                       
CONECT   26   25   25   27   28                                       
CONECT   27   13   13   26                                            
CONECT   28   26   29                                                 
CONECT   29   30   28   37   37                                       
CONECT   30   31   31   29   52                                       
CONECT   31   30   30   32   53                                       
CONECT   32   31   33   36   36                                       
CONECT   33   32   35   35   34                                       
CONECT   34   33   54   55                                            
CONECT   35   33   33   56                                            
CONECT   36   32   32   37   57                                       
CONECT   37   29   29   36   58                                       
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   21                                                      
CONECT   48   22                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   25                                                      
CONECT   52   30                                                      
CONECT   53   31                                                      
CONECT   54   34                                                      
CONECT   55   34                                                      
CONECT   56   35                                                      
CONECT   57   36                                                      
CONECT   58   37                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
