COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.528  -2.800  -0.788  1.00  0.00           C  
HETATM    2  C   UNL     1       2.625  -2.274  -1.491  1.00  0.00           C  
HETATM    3  C   UNL     1       3.254  -3.089  -2.445  1.00  0.00           C  
HETATM    4  C   UNL     1       1.933  -0.731  -0.120  1.00  0.00           C  
HETATM    5  C   UNL     1       4.217   3.259  -1.345  1.00  0.00           C  
HETATM    6  C   UNL     1       5.620   1.923   0.081  1.00  0.00           C  
HETATM    7  C   UNL     1       4.502   1.279   0.578  1.00  0.00           C  
HETATM    8  C   UNL     1       5.736   4.222  -2.669  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.004  -1.894   1.016  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.288  -1.423   0.330  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.166   0.063  -0.017  1.00  0.00           C  
HETATM   12  N   UNL     1       2.785  -4.317  -2.638  1.00  0.00           N  
HETATM   13  C   UNL     1       1.750  -4.769  -1.954  1.00  0.00           C  
HETATM   14  O   UNL     1       4.352   4.248  -2.277  1.00  0.00           O  
HETATM   15  C   UNL     1      -2.477   0.540  -0.649  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.631   0.280   0.323  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.475  -1.627   1.273  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.885  -1.462   1.442  1.00  0.00           C  
HETATM   19  C   UNL     1      -6.135  -1.192   0.645  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.695  -2.195  -0.123  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.841  -1.947  -0.855  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.427  -0.696  -0.819  1.00  0.00           C  
HETATM   23  C   UNL     1      -7.866   0.308  -0.050  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.724   0.058   0.686  1.00  0.00           C  
HETATM   25  C   UNL     1       3.239   1.620   0.112  1.00  0.00           C  
HETATM   26  C   UNL     1       3.098   2.611  -0.851  1.00  0.00           C  
HETATM   27  C   UNL     1       5.484   2.912  -0.879  1.00  0.00           C  
HETATM   28  F   UNL     1      -7.956   2.779  -1.173  1.00  0.00           F  
HETATM   29  I   UNL     1       4.713  -0.215   2.030  1.00  0.00           I  
HETATM   30  N   UNL     1       1.129  -4.040  -1.049  1.00  0.00           N  
HETATM   31  N   UNL     1       1.113  -1.810   0.072  1.00  0.00           N  
HETATM   32  N   UNL     1       2.823  -1.010  -1.041  1.00  0.00           N  
HETATM   33  N   UNL     1       4.340  -2.623  -3.169  1.00  0.00           N  
HETATM   34  N   UNL     1      -3.705  -1.156   0.623  1.00  0.00           N  
HETATM   35  O   UNL     1       6.411   3.684  -1.520  1.00  0.00           O  
HETATM   36  O   UNL     1      -9.980   1.714  -0.355  1.00  0.00           O  
HETATM   37  O   UNL     1      -8.210   2.497   1.226  1.00  0.00           O  
HETATM   38  S   UNL     1       1.814   0.799   0.746  1.00  0.00           S  
HETATM   39  S   UNL     1      -8.618   1.901   0.002  1.00  0.00           S  
HETATM   40  H   UNL     1       6.602   1.654   0.442  1.00  0.00           H  
HETATM   41  H   UNL     1       5.878   3.567  -3.529  1.00  0.00           H  
HETATM   42  H   UNL     1       6.090   5.228  -2.893  1.00  0.00           H  
HETATM   43  H   UNL     1       0.201  -1.259   1.878  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.125  -2.926   1.345  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.445  -1.998  -0.583  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.971   0.634   0.891  1.00  0.00           H  
HETATM   47  H   UNL     1      -0.348   0.207  -0.722  1.00  0.00           H  
HETATM   48  H   UNL     1       1.401  -5.773  -2.142  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.413   1.608  -0.859  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.653  -0.004  -1.577  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.461   0.835   1.245  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.567   0.605  -0.130  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.573  -2.687   1.510  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.311  -1.063   2.191  1.00  0.00           H  
HETATM   55  H   UNL     1      -4.880  -0.836   2.334  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.861  -2.512   1.736  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.237  -3.173  -0.152  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.278  -2.731  -1.456  1.00  0.00           H  
HETATM   59  H   UNL     1      -9.322  -0.501  -1.391  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.286   0.842   1.287  1.00  0.00           H  
HETATM   61  H   UNL     1       2.116   2.876  -1.214  1.00  0.00           H  
HETATM   62  H   UNL     1       4.674  -1.725  -3.020  1.00  0.00           H  
HETATM   63  H   UNL     1       4.767  -3.196  -3.826  1.00  0.00           H  
CONECT    1    2   31   30   30                                       
CONECT    2   32    3    3    1                                       
CONECT    3   33    2    2   12                                       
CONECT    4   38   32   32   31                                       
CONECT    5   26   26   27   14                                       
CONECT    6    7   27   27   40                                       
CONECT    7   29   25   25    6                                       
CONECT    8   35   14   41   42                                       
CONECT    9   31   10   43   44                                       
CONECT   10   17   11    9   45                                       
CONECT   11   10   15   46   47                                       
CONECT   12    3   13   13                                            
CONECT   13   12   12   30   48                                       
CONECT   14    5    8                                                 
CONECT   15   11   16   49   50                                       
CONECT   16   34   15   51   52                                       
CONECT   17   10   34   53   54                                       
CONECT   18   34   19   55   56                                       
CONECT   19   24   18   20   20                                       
CONECT   20   19   19   21   57                                       
CONECT   21   22   22   20   58                                       
CONECT   22   23   21   21   59                                       
CONECT   23   39   24   24   22                                       
CONECT   24   23   23   19   60                                       
CONECT   25   38    7    7   26                                       
CONECT   26   25    5    5   61                                       
CONECT   27    6    6    5   35                                       
CONECT   28   39                                                      
CONECT   29    7                                                      
CONECT   30    1    1   13                                            
CONECT   31    4    1    9                                            
CONECT   32    4    4    2                                            
CONECT   33    3   62   63                                            
CONECT   34   17   16   18                                            
CONECT   35   27    8                                                 
CONECT   36   39   39                                                 
CONECT   37   39   39                                                 
CONECT   38   25    4                                                 
CONECT   39   36   36   28   37                                       
CONECT   39   37   23                                                 
CONECT   40    6                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   10                                                      
CONECT   46   11                                                      
CONECT   47   11                                                      
CONECT   48   13                                                      
CONECT   49   15                                                      
CONECT   50   15                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   24                                                      
CONECT   61   26                                                      
CONECT   62   33                                                      
CONECT   63   33                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
