COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.328   0.298  -0.529  1.00  0.00           C  
HETATM    2  N   UNL     1      -1.274   0.059   0.721  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.730   1.245   0.256  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.053   3.330  -0.672  1.00  0.00           C  
HETATM    5  C   UNL     1       0.896   4.839  -1.155  1.00  0.00           C  
HETATM    6  C   UNL     1       3.316   1.749   0.517  1.00  0.00           C  
HETATM    7  C   UNL     1       2.849   1.049   1.623  1.00  0.00           C  
HETATM    8  C   UNL     1       3.645   0.096   2.227  1.00  0.00           C  
HETATM    9  C   UNL     1       5.384   0.531   0.629  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.711  -0.966  -1.263  1.00  0.00           C  
HETATM   11  N   UNL     1      -9.271  -0.713  -1.116  1.00  0.00           N  
HETATM   12  C   UNL     1      -8.510  -1.970  -1.144  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.014  -1.658  -1.068  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.735  -0.904   0.162  1.00  0.00           N  
HETATM   15  C   UNL     1      -7.496   0.352   0.190  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.993   0.041   0.114  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.362  -0.663   0.303  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.681   0.060  -0.668  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.647  -0.184   0.581  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.536   2.183  -0.218  1.00  0.00           N  
HETATM   21  C   UNL     1       0.311   3.546  -0.648  1.00  0.00           C  
HETATM   22  C   UNL     1       1.135   2.541  -0.138  1.00  0.00           C  
HETATM   23  N   UNL     1       2.510   2.713  -0.094  1.00  0.00           N  
HETATM   24  C   UNL     1       4.909  -0.165   1.735  1.00  0.00           C  
HETATM   25  N   UNL     1       6.662   0.266   0.132  1.00  0.00           N  
HETATM   26  S   UNL     1       7.171  -1.299  -0.052  1.00  0.00           S  
HETATM   27  O   UNL     1       8.499  -1.179  -0.544  1.00  0.00           O  
HETATM   28  O   UNL     1       6.908  -1.903   1.207  1.00  0.00           O  
HETATM   29  C   UNL     1       6.079  -1.984  -1.327  1.00  0.00           C  
HETATM   30  C   UNL     1       6.234  -1.177  -2.618  1.00  0.00           C  
HETATM   31  C   UNL     1       6.454  -3.443  -1.590  1.00  0.00           C  
HETATM   32  C   UNL     1       4.627  -1.908  -0.850  1.00  0.00           C  
HETATM   33  C   UNL     1       4.588   1.492   0.023  1.00  0.00           C  
HETATM   34  N   UNL     1       0.583   1.414   0.301  1.00  0.00           N  
HETATM   35  C   UNL     1      -3.326  -0.908   1.552  1.00  0.00           C  
HETATM   36  C   UNL     1      -4.681  -1.147   1.414  1.00  0.00           C  
HETATM   37  F   UNL     1      -5.343  -1.850   2.359  1.00  0.00           F  
HETATM   38  H   UNL     1      -2.798   0.857  -1.286  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.705  -0.603   1.143  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.719   4.089  -1.057  1.00  0.00           H  
HETATM   41  H   UNL     1       0.956   5.556  -0.336  1.00  0.00           H  
HETATM   42  H   UNL     1       1.894   4.655  -1.551  1.00  0.00           H  
HETATM   43  H   UNL     1       0.260   5.241  -1.944  1.00  0.00           H  
HETATM   44  H   UNL     1       1.861   1.252   2.011  1.00  0.00           H  
HETATM   45  H   UNL     1       3.279  -0.446   3.087  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.054  -1.601  -0.446  1.00  0.00           H  
HETATM   47  H   UNL     1     -11.251  -0.019  -1.239  1.00  0.00           H  
HETATM   48  H   UNL     1     -10.897  -1.466  -2.214  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.797  -2.588  -0.293  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.724  -2.504  -2.070  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.448  -2.590  -1.060  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.722  -1.063  -1.934  1.00  0.00           H  
HETATM   53  H   UNL     1      -7.282   0.886   1.116  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.209   0.970  -0.661  1.00  0.00           H  
HETATM   55  H   UNL     1      -9.558   0.973   0.106  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.285  -0.554   0.979  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.210   0.435  -1.531  1.00  0.00           H  
HETATM   58  H   UNL     1       2.912   3.504  -0.486  1.00  0.00           H  
HETATM   59  H   UNL     1       5.530  -0.911   2.210  1.00  0.00           H  
HETATM   60  H   UNL     1       7.251   0.999  -0.105  1.00  0.00           H  
HETATM   61  H   UNL     1       7.268  -1.231  -2.958  1.00  0.00           H  
HETATM   62  H   UNL     1       5.577  -1.588  -3.385  1.00  0.00           H  
HETATM   63  H   UNL     1       5.966  -0.137  -2.431  1.00  0.00           H  
HETATM   64  H   UNL     1       6.343  -4.018  -0.670  1.00  0.00           H  
HETATM   65  H   UNL     1       5.797  -3.855  -2.357  1.00  0.00           H  
HETATM   66  H   UNL     1       7.488  -3.497  -1.930  1.00  0.00           H  
HETATM   67  H   UNL     1       4.360  -0.868  -0.663  1.00  0.00           H  
HETATM   68  H   UNL     1       3.970  -2.319  -1.616  1.00  0.00           H  
HETATM   69  H   UNL     1       4.517  -2.482   0.070  1.00  0.00           H  
HETATM   70  H   UNL     1       4.954   2.034  -0.837  1.00  0.00           H  
HETATM   71  H   UNL     1      -2.796  -1.283   2.415  1.00  0.00           H  
CONECT    1   18   18   19   38                                       
CONECT    2    3   19   39                                            
CONECT    3    2   20   20   34                                       
CONECT    4   20   21   21   40                                       
CONECT    5   21   41   42   43                                       
CONECT    6    7    7   23   33                                       
CONECT    7    6    6    8   44                                       
CONECT    8    7   24   24   45                                       
CONECT    9   24   25   33   33                                       
CONECT   10   11   46   47   48                                       
CONECT   11   10   12   16                                            
CONECT   12   11   13   49   50                                       
CONECT   13   12   14   51   52                                       
CONECT   14   13   15   17                                            
CONECT   15   14   16   53   54                                       
CONECT   16   11   15   55   56                                       
CONECT   17   14   18   36   36                                       
CONECT   18    1    1   17   57                                       
CONECT   19    1    2   35   35                                       
CONECT   20    3    3    4                                            
CONECT   21    4    4    5   22                                       
CONECT   22   21   23   34   34                                       
CONECT   23    6   22   58                                            
CONECT   24    8    8    9   59                                       
CONECT   25    9   26   60                                            
CONECT   26   25   27   27   28                                       
CONECT   26   28   29                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   26   30   31   32                                       
CONECT   30   29   61   62   63                                       
CONECT   31   29   64   65   66                                       
CONECT   32   29   67   68   69                                       
CONECT   33    6    9    9   70                                       
CONECT   34    3   22   22                                            
CONECT   35   19   19   36   71                                       
CONECT   36   17   17   35   37                                       
CONECT   37   36                                                      
CONECT   38    1                                                      
CONECT   39    2                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    5                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   10                                                      
CONECT   49   12                                                      
CONECT   50   12                                                      
CONECT   51   13                                                      
CONECT   52   13                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   18                                                      
CONECT   58   23                                                      
CONECT   59   24                                                      
CONECT   60   25                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   35                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
