COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.781  -0.364   0.005  1.00  0.00           C  
HETATM    2  N   UNL     1       6.318  -1.064  -1.015  1.00  0.00           N  
HETATM    3  C   UNL     1       2.784   0.074  -1.197  1.00  0.00           C  
HETATM    4  C   UNL     1       1.895  -0.844  -0.356  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.353  -1.724  -0.170  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.006   1.363  -0.190  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.866   3.569   0.746  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.076   1.771  -0.985  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.364   0.851  -1.167  1.00  0.00           C  
HETATM   10  C   UNL     1       0.000   0.657  -0.496  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.379  -1.154   0.155  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.509  -0.031  -0.271  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.577  -2.318   1.880  1.00  0.00           C  
HETATM   14  C   UNL     1       4.556  -1.758  -2.587  1.00  0.00           C  
HETATM   15  C   UNL     1       5.060  -0.948  -1.420  1.00  0.00           C  
HETATM   16  C   UNL     1       4.219  -0.078  -0.759  1.00  0.00           C  
HETATM   17  C   UNL     1       4.709   0.660   0.319  1.00  0.00           C  
HETATM   18  O   UNL     1       3.977   1.435   0.914  1.00  0.00           O  
HETATM   19  N   UNL     1       6.010   0.513   0.705  1.00  0.00           N  
HETATM   20  C   UNL     1       6.643   1.156   1.740  1.00  0.00           C  
HETATM   21  C   UNL     1       7.915   0.888   1.979  1.00  0.00           C  
HETATM   22  S   UNL     1       8.382  -0.314   0.763  1.00  0.00           S  
HETATM   23  N   UNL     1       0.497  -0.695  -0.783  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.741  -1.691  -0.819  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.274  -0.277  -0.727  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.767  -1.271   1.489  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.004  -3.251   0.949  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.630  -3.132  -0.380  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.816  -2.092  -0.779  1.00  0.00           C  
HETATM   30  F   UNL     1      -6.797  -4.274   1.336  1.00  0.00           F  
HETATM   31  C   UNL     1      -3.400   2.273   0.675  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.934   3.968  -0.042  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.535   3.069  -0.908  1.00  0.00           C  
HETATM   34  F   UNL     1      -5.386   5.239   0.031  1.00  0.00           F  
HETATM   35  H   UNL     1       2.695  -0.196  -2.249  1.00  0.00           H  
HETATM   36  H   UNL     1       2.471   1.109  -1.060  1.00  0.00           H  
HETATM   37  H   UNL     1       2.208  -1.879  -0.493  1.00  0.00           H  
HETATM   38  H   UNL     1       1.984  -0.573   0.696  1.00  0.00           H  
HETATM   39  H   UNL     1       0.097  -2.705  -0.322  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.446  -1.529   0.899  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.398   4.275   1.417  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.545   1.071  -1.661  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.791   1.807  -0.864  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.248   0.828  -2.251  1.00  0.00           H  
HETATM   45  H   UNL     1       0.704   1.393  -0.884  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.103   0.785   0.582  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.878  -2.409   2.913  1.00  0.00           H  
HETATM   48  H   UNL     1       4.710  -1.200  -3.510  1.00  0.00           H  
HETATM   49  H   UNL     1       5.101  -2.701  -2.637  1.00  0.00           H  
HETATM   50  H   UNL     1       3.493  -1.960  -2.457  1.00  0.00           H  
HETATM   51  H   UNL     1       6.109   1.870   2.350  1.00  0.00           H  
HETATM   52  H   UNL     1       8.539   1.313   2.751  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.665  -1.987  -1.865  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.410  -2.371  -0.291  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.434  -0.545   2.215  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.965  -3.862  -1.102  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.518  -2.005  -1.813  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.568   1.963   1.290  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.367   3.385  -1.520  1.00  0.00           H  
CONECT    1    2    2   19   22                                       
CONECT    2   15    1    1                                            
CONECT    3    4   16   35   36                                       
CONECT    4   23    3   37   38                                       
CONECT    5   24   23   39   40                                       
CONECT    6   31   31    8   12                                       
CONECT    7   32   32   31   41                                       
CONECT    8   33   33    6   42                                       
CONECT    9   25   10   43   44                                       
CONECT   10    9   23   45   46                                       
CONECT   11   12   29   29   26                                       
CONECT   12    6   11   25   25                                       
CONECT   13   26   26   27   47                                       
CONECT   14   15   48   49   50                                       
CONECT   15   14   16   16    2                                       
CONECT   16    3   15   15   17                                       
CONECT   17   16   18   18   19                                       
CONECT   18   17   17                                                 
CONECT   19   17    1   20                                            
CONECT   20   19   21   21   51                                       
CONECT   21   20   20   22   52                                       
CONECT   22    1   21                                                 
CONECT   23    5   10    4                                            
CONECT   24   25    5   53   54                                       
CONECT   25   12   12   24    9                                       
CONECT   26   11   13   13   55                                       
CONECT   27   28   28   13   30                                       
CONECT   28   29   27   27   56                                       
CONECT   29   11   11   28   57                                       
CONECT   30   27                                                      
CONECT   31    7    6    6   58                                       
CONECT   32   34    7    7   33                                       
CONECT   33   32    8    8   59                                       
CONECT   34   32                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    4                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   10                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   26                                                      
CONECT   56   28                                                      
CONECT   57   29                                                      
CONECT   58   31                                                      
CONECT   59   33                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
