COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.326  -0.717   0.709  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.102  -0.930   1.161  1.00  0.00           C  
HETATM    3  C   UNL     1       0.015  -0.761  -1.096  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.313  -1.116  -0.236  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.999   0.251  -0.187  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.493   0.083  -0.470  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.144   1.439  -0.558  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.826   0.122   2.328  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.681  -0.661  -1.794  1.00  0.00           C  
HETATM   10  C   UNL     1       2.558  -0.427  -1.133  1.00  0.00           C  
HETATM   11  C   UNL     1       3.411  -0.398  -0.078  1.00  0.00           C  
HETATM   12  C   UNL     1       2.594  -0.584   1.124  1.00  0.00           C  
HETATM   13  C   UNL     1       4.882  -0.210  -0.130  1.00  0.00           C  
HETATM   14  C   UNL     1       5.654  -0.983  -0.995  1.00  0.00           C  
HETATM   15  O   UNL     1      -6.669  -0.835   0.703  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.865  -0.941  -0.098  1.00  0.00           N  
HETATM   17  C   UNL     1       7.022  -0.806  -1.042  1.00  0.00           C  
HETATM   18  O   UNL     1      -4.601  -2.125   0.968  1.00  0.00           O  
HETATM   19  C   UNL     1       7.630   0.141  -0.230  1.00  0.00           C  
HETATM   20  C   UNL     1       6.865   0.914   0.633  1.00  0.00           C  
HETATM   21  C   UNL     1       5.495   0.746   0.682  1.00  0.00           C  
HETATM   22  C   UNL     1       9.537   1.304   0.584  1.00  0.00           C  
HETATM   23  O   UNL     1      -4.460   2.433  -0.683  1.00  0.00           O  
HETATM   24  N   UNL     1      -6.486   1.548  -0.498  1.00  0.00           N  
HETATM   25  O   UNL     1      -7.097   2.822  -0.581  1.00  0.00           O  
HETATM   26  S   UNL     1      -5.258  -0.869   0.872  1.00  0.00           S  
HETATM   27  O   UNL     1      -0.298  -0.720  -2.269  1.00  0.00           O  
HETATM   28  N   UNL     1       1.281  -0.623  -0.658  1.00  0.00           N  
HETATM   29  F   UNL     1       4.750   1.498   1.521  1.00  0.00           F  
HETATM   30  O   UNL     1       8.977   0.312  -0.279  1.00  0.00           O  
HETATM   31  H   UNL     1      -0.202  -1.883   1.679  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.428  -0.109   1.800  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.683  -1.737   0.579  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.532  -1.598  -1.189  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.863   0.690   0.801  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.558   0.906  -0.939  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.234  -0.349   3.223  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.741   0.187   2.415  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.243   1.124   2.223  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.210  -1.642  -1.730  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.746  -0.781  -1.995  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.221  -0.089  -2.600  1.00  0.00           H  
HETATM   43  H   UNL     1       2.835  -0.317  -2.171  1.00  0.00           H  
HETATM   44  H   UNL     1       2.944  -0.608   2.145  1.00  0.00           H  
HETATM   45  H   UNL     1       5.182  -1.721  -1.627  1.00  0.00           H  
HETATM   46  H   UNL     1       7.620  -1.405  -1.712  1.00  0.00           H  
HETATM   47  H   UNL     1       7.341   1.650   1.264  1.00  0.00           H  
HETATM   48  H   UNL     1       9.110   2.277   0.344  1.00  0.00           H  
HETATM   49  H   UNL     1       9.312   1.053   1.620  1.00  0.00           H  
HETATM   50  H   UNL     1      10.618   1.337   0.445  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.033   0.753  -0.398  1.00  0.00           H  
HETATM   52  H   UNL     1      -8.062   2.800  -0.529  1.00  0.00           H  
CONECT    1   12   12   28    2                                       
CONECT    2    1   16   31   32                                       
CONECT    3   28   27   27   16                                       
CONECT    4   16    5   33   34                                       
CONECT    5    4    6   35   36                                       
CONECT    6    5    9   26    7                                       
CONECT    7    6   23   23   24                                       
CONECT    8   26   37   38   39                                       
CONECT    9    6   40   41   42                                       
CONECT   10   11   11   28   43                                       
CONECT   11   13   10   10   12                                       
CONECT   12   11    1    1   44                                       
CONECT   13   14   14   21   11                                       
CONECT   14   17   13   13   45                                       
CONECT   15   26   26                                                 
CONECT   16    3    2    4                                            
CONECT   17   19   19   14   46                                       
CONECT   18   26   26                                                 
CONECT   19   30   17   17   20                                       
CONECT   20   19   21   21   47                                       
CONECT   21   20   20   13   29                                       
CONECT   22   30   48   49   50                                       
CONECT   23    7    7                                                 
CONECT   24    7   25   51                                            
CONECT   25   24   52                                                 
CONECT   26   15   15    8    6                                       
CONECT   26   18   18                                                 
CONECT   27    3    3                                                 
CONECT   28   10    1    3                                            
CONECT   29   21                                                      
CONECT   30   22   19                                                 
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41    9                                                      
CONECT   42    9                                                      
CONECT   43   10                                                      
CONECT   44   12                                                      
CONECT   45   14                                                      
CONECT   46   17                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   22                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   25                                                      
MASTER        0    0    0    0    0    0    0    0   52    0   52    0
END
