COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.327   2.494   0.076  1.00  0.00           C  
HETATM    2  C   UNL     1       0.461   1.345   0.230  1.00  0.00           C  
HETATM    3  C   UNL     1       0.309   3.839  -0.163  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.449  -1.264   0.639  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.179  -0.493  -0.258  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.479  -2.291   1.405  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.107  -2.164   1.466  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.215  -1.516   0.511  1.00  0.00           C  
HETATM    9  C   UNL     1      -7.903  -0.576  -0.692  1.00  0.00           C  
HETATM   10  C   UNL     1       4.007   0.426   0.267  1.00  0.00           C  
HETATM   11  C   UNL     1       6.776   0.598   0.362  1.00  0.00           C  
HETATM   12  C   UNL     1       3.860  -2.562   1.786  1.00  0.00           C  
HETATM   13  C   UNL     1       2.161  -2.172  -1.382  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.141   0.172   0.434  1.00  0.00           N  
HETATM   15  C   UNL     1      -1.461   0.094   0.490  1.00  0.00           C  
HETATM   16  N   UNL     1      -2.229   1.165   0.347  1.00  0.00           N  
HETATM   17  C   UNL     1      -1.701   2.362   0.142  1.00  0.00           C  
HETATM   18  F   UNL     1      -0.689   4.791  -0.399  1.00  0.00           F  
HETATM   19  F   UNL     1       1.051   4.210   0.964  1.00  0.00           F  
HETATM   20  F   UNL     1       1.155   3.764  -1.275  1.00  0.00           F  
HETATM   21  N   UNL     1      -2.056  -1.138   0.704  1.00  0.00           N  
HETATM   22  C   UNL     1      -5.548  -0.622  -0.317  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.607   0.052  -1.158  1.00  0.00           C  
HETATM   24  N   UNL     1      -7.590  -1.464   0.267  1.00  0.00           N  
HETATM   25  O   UNL     1      -9.015  -0.325  -1.106  1.00  0.00           O  
HETATM   26  N   UNL     1       1.822   1.424   0.172  1.00  0.00           N  
HETATM   27  C   UNL     1       2.543   0.336   0.217  1.00  0.00           C  
HETATM   28  C   UNL     1       4.639   1.672   0.191  1.00  0.00           C  
HETATM   29  C   UNL     1       6.013   1.749   0.239  1.00  0.00           C  
HETATM   30  C   UNL     1       6.168  -0.639   0.442  1.00  0.00           C  
HETATM   31  C   UNL     1       4.784  -0.739   0.396  1.00  0.00           C  
HETATM   32  N   UNL     1       4.171  -1.982   0.477  1.00  0.00           N  
HETATM   33  S   UNL     1       3.791  -2.810  -0.906  1.00  0.00           S  
HETATM   34  O   UNL     1       3.694  -4.165  -0.489  1.00  0.00           O  
HETATM   35  O   UNL     1       4.779  -2.400  -1.842  1.00  0.00           O  
HETATM   36  H   UNL     1      -3.673   0.207  -0.907  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.984  -2.993   2.051  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.542  -2.768   2.161  1.00  0.00           H  
HETATM   39  H   UNL     1       7.853   0.670   0.398  1.00  0.00           H  
HETATM   40  H   UNL     1       4.736  -3.088   2.168  1.00  0.00           H  
HETATM   41  H   UNL     1       3.583  -1.768   2.479  1.00  0.00           H  
HETATM   42  H   UNL     1       3.031  -3.263   1.686  1.00  0.00           H  
HETATM   43  H   UNL     1       2.246  -1.118  -1.648  1.00  0.00           H  
HETATM   44  H   UNL     1       1.786  -2.734  -2.237  1.00  0.00           H  
HETATM   45  H   UNL     1       1.470  -2.281  -0.545  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.338   3.227   0.023  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.507  -1.914   0.898  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.442  -0.153  -2.216  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.615   1.126  -0.974  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.244  -2.007   0.735  1.00  0.00           H  
HETATM   51  H   UNL     1       2.061  -0.631   0.217  1.00  0.00           H  
HETATM   52  H   UNL     1       4.050   2.572   0.096  1.00  0.00           H  
HETATM   53  H   UNL     1       6.499   2.712   0.181  1.00  0.00           H  
HETATM   54  H   UNL     1       6.771  -1.530   0.542  1.00  0.00           H  
CONECT    1    2    2   17    3                                       
CONECT    2   26   14    1    1                                       
CONECT    3   19    1   18   20                                       
CONECT    4    5   21    7    7                                       
CONECT    5   22   22    4   36                                       
CONECT    6    8    8    7   37                                       
CONECT    7    4    4    6   38                                       
CONECT    8   22   24    6    6                                       
CONECT    9   25   25   23   24                                       
CONECT   10   31   27   28   28                                       
CONECT   11   30   29   29   39                                       
CONECT   12   32   40   41   42                                       
CONECT   13   33   43   44   45                                       
CONECT   14   15   15    2                                            
CONECT   15   14   14   21   16                                       
CONECT   16   15   17   17                                            
CONECT   17   16   16    1   46                                       
CONECT   18    3                                                      
CONECT   19    3                                                      
CONECT   20    3                                                      
CONECT   21    4   15   47                                            
CONECT   22   23    5    5    8                                       
CONECT   23    9   22   48   49                                       
CONECT   24    9    8   50                                            
CONECT   25    9    9                                                 
CONECT   26   27   27    2                                            
CONECT   27   10   26   26   51                                       
CONECT   28   10   10   29   52                                       
CONECT   29   11   11   28   53                                       
CONECT   30   31   31   11   54                                       
CONECT   31   32   30   30   10                                       
CONECT   32   12   33   31                                            
CONECT   33   13   35   35   32                                       
CONECT   33   34   34                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   13                                                      
CONECT   46   17                                                      
CONECT   47   21                                                      
CONECT   48   23                                                      
CONECT   49   23                                                      
CONECT   50   24                                                      
CONECT   51   27                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
MASTER        0    0    0    0    0    0    0    0   54    0   54    0
END
