COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.394  -3.455  -1.207  1.00  0.00           O  
HETATM    2  C   UNL     1       3.065  -2.558  -0.735  1.00  0.00           C  
HETATM    3  N   UNL     1       2.770  -1.282  -1.050  1.00  0.00           N  
HETATM    4  C   UNL     1       3.523  -0.245  -0.524  1.00  0.00           C  
HETATM    5  C   UNL     1       4.578  -0.547   0.328  1.00  0.00           C  
HETATM    6  N   UNL     1       5.138   0.661   0.692  1.00  0.00           N  
HETATM    7  C   UNL     1       4.431   1.626   0.072  1.00  0.00           C  
HETATM    8  C   UNL     1       4.697   3.105   0.187  1.00  0.00           C  
HETATM    9  C   UNL     1       5.772   3.510  -0.824  1.00  0.00           C  
HETATM   10  C   UNL     1       6.041   5.012  -0.708  1.00  0.00           C  
HETATM   11  C   UNL     1       6.524   5.335   0.708  1.00  0.00           C  
HETATM   12  C   UNL     1       5.449   4.931   1.718  1.00  0.00           C  
HETATM   13  C   UNL     1       5.179   3.429   1.602  1.00  0.00           C  
HETATM   14  N   UNL     1       3.479   1.085  -0.644  1.00  0.00           N  
HETATM   15  C   UNL     1       4.852  -1.898   0.632  1.00  0.00           C  
HETATM   16  O   UNL     1       5.768  -2.188   1.380  1.00  0.00           O  
HETATM   17  N   UNL     1       4.080  -2.864   0.092  1.00  0.00           N  
HETATM   18  C   UNL     1       4.358  -4.268   0.403  1.00  0.00           C  
HETATM   19  C   UNL     1       3.567  -4.681   1.646  1.00  0.00           C  
HETATM   20  C   UNL     1       3.857  -6.148   1.971  1.00  0.00           C  
HETATM   21  C   UNL     1       1.653  -0.991  -1.952  1.00  0.00           C  
HETATM   22  C   UNL     1       0.371  -0.817  -1.135  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.796  -0.512  -2.076  1.00  0.00           C  
HETATM   24  N   UNL     1      -2.024  -0.346  -1.293  1.00  0.00           N  
HETATM   25  C   UNL     1      -3.187  -0.070  -1.916  1.00  0.00           C  
HETATM   26  O   UNL     1      -3.218   0.041  -3.126  1.00  0.00           O  
HETATM   27  C   UNL     1      -4.426   0.099  -1.126  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.392  -0.022   0.264  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.552   0.137   0.995  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.746   0.414   0.353  1.00  0.00           C  
HETATM   31  S   UNL     1      -8.222   0.615   1.294  1.00  0.00           S  
HETATM   32  O   UNL     1      -8.216  -0.414   2.273  1.00  0.00           O  
HETATM   33  O   UNL     1      -8.306   1.996   1.617  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.785   0.535  -1.025  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.632   0.384  -1.767  1.00  0.00           C  
HETATM   36  H   UNL     1       5.897   0.791   1.283  1.00  0.00           H  
HETATM   37  H   UNL     1       3.779   3.656  -0.019  1.00  0.00           H  
HETATM   38  H   UNL     1       6.690   2.959  -0.618  1.00  0.00           H  
HETATM   39  H   UNL     1       5.428   3.279  -1.832  1.00  0.00           H  
HETATM   40  H   UNL     1       6.807   5.300  -1.428  1.00  0.00           H  
HETATM   41  H   UNL     1       5.123   5.562  -0.914  1.00  0.00           H  
HETATM   42  H   UNL     1       7.442   4.785   0.914  1.00  0.00           H  
HETATM   43  H   UNL     1       6.715   6.405   0.790  1.00  0.00           H  
HETATM   44  H   UNL     1       5.792   5.161   2.726  1.00  0.00           H  
HETATM   45  H   UNL     1       4.531   5.481   1.512  1.00  0.00           H  
HETATM   46  H   UNL     1       4.413   3.140   2.322  1.00  0.00           H  
HETATM   47  H   UNL     1       6.097   2.878   1.808  1.00  0.00           H  
HETATM   48  H   UNL     1       4.063  -4.893  -0.440  1.00  0.00           H  
HETATM   49  H   UNL     1       5.424  -4.394   0.593  1.00  0.00           H  
HETATM   50  H   UNL     1       3.862  -4.057   2.489  1.00  0.00           H  
HETATM   51  H   UNL     1       2.501  -4.556   1.456  1.00  0.00           H  
HETATM   52  H   UNL     1       3.294  -6.442   2.856  1.00  0.00           H  
HETATM   53  H   UNL     1       3.562  -6.772   1.128  1.00  0.00           H  
HETATM   54  H   UNL     1       4.923  -6.274   2.160  1.00  0.00           H  
HETATM   55  H   UNL     1       1.860  -0.074  -2.503  1.00  0.00           H  
HETATM   56  H   UNL     1       1.527  -1.816  -2.653  1.00  0.00           H  
HETATM   57  H   UNL     1       0.164  -1.734  -0.583  1.00  0.00           H  
HETATM   58  H   UNL     1       0.497   0.008  -0.433  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.589   0.405  -2.627  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.922  -1.337  -2.777  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.999  -0.434  -0.328  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.461  -0.239   0.767  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.528   0.044   2.071  1.00  0.00           H  
HETATM   64  H   UNL     1      -7.720   0.752  -1.520  1.00  0.00           H  
HETATM   65  H   UNL     1      -5.663   0.483  -2.842  1.00  0.00           H  
HETATM   66  F   UNL     1      -9.459   0.302   0.312  1.00  0.00           F  
CONECT    1    2    2                                                 
CONECT    2   17    1    1    3                                       
CONECT    3    2    4   21                                            
CONECT    4    5    5    3   14                                       
CONECT    5   15    6    4    4                                       
CONECT    6    5    7   36                                            
CONECT    7    6    8   14   14                                       
CONECT    8   13    7    9   37                                       
CONECT    9    8   10   38   39                                       
CONECT   10   11    9   40   41                                       
CONECT   11   12   10   42   43                                       
CONECT   12   13   11   44   45                                       
CONECT   13   12    8   46   47                                       
CONECT   14    7    7    4                                            
CONECT   15   16   16   17    5                                       
CONECT   16   15   15                                                 
CONECT   17   18   15    2                                            
CONECT   18   19   17   48   49                                       
CONECT   19   20   18   50   51                                       
CONECT   20   19   52   53   54                                       
CONECT   21    3   22   55   56                                       
CONECT   22   21   23   57   58                                       
CONECT   23   22   24   59   60                                       
CONECT   24   23   25   61                                            
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25   28   28   35                                       
CONECT   28   27   27   29   62                                       
CONECT   29   28   30   30   63                                       
CONECT   30   29   29   34   31                                       
CONECT   31   30   32   32   33                                       
CONECT   31   33   66                                                 
CONECT   32   31   31                                                 
CONECT   33   31   31                                                 
CONECT   34   35   35   30   64                                       
CONECT   35   27   34   34   65                                       
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39    9                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   11                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   20                                                      
CONECT   54   20                                                      
CONECT   55   21                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   23                                                      
CONECT   60   23                                                      
CONECT   61   24                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   34                                                      
CONECT   65   35                                                      
CONECT   66   31                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
