COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.094   1.272  -0.033  1.00  0.00           C  
HETATM    2  C   UNL     1       5.649  -0.150   1.283  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.147   0.326  -1.359  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.681  -1.639  -0.428  1.00  0.00           C  
HETATM    5  C   UNL     1     -10.042   2.177   0.400  1.00  0.00           C  
HETATM    6  C   UNL     1     -11.442   0.484   1.105  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.728  -2.070   0.424  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.644  -0.776  -0.638  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.343  -0.091   0.109  1.00  0.00           C  
HETATM   10  C   UNL     1     -10.548  -0.485   0.693  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.245  -0.964  -0.191  1.00  0.00           C  
HETATM   12  C   UNL     1       6.660   0.774   1.141  1.00  0.00           C  
HETATM   13  C   UNL     1       4.446   0.247   0.787  1.00  0.00           C  
HETATM   14  C   UNL     1       0.895  -0.649   0.231  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.130   1.199  -0.838  1.00  0.00           C  
HETATM   16  C   UNL     1       2.110   0.080   0.235  1.00  0.00           C  
HETATM   17  C   UNL     1       1.049   1.851  -0.813  1.00  0.00           C  
HETATM   18  C   UNL     1      -7.108  -0.708  -0.415  1.00  0.00           C  
HETATM   19  C   UNL     1       9.121  -1.837  -1.112  1.00  0.00           C  
HETATM   20  C   UNL     1      10.593  -1.998  -0.720  1.00  0.00           C  
HETATM   21  C   UNL     1       8.330  -1.326   0.094  1.00  0.00           C  
HETATM   22  C   UNL     1      10.258  -0.189   0.968  1.00  0.00           C  
HETATM   23  C   UNL     1      11.123  -0.657  -0.205  1.00  0.00           C  
HETATM   24  C   UNL     1       1.139   3.237  -1.399  1.00  0.00           C  
HETATM   25  C   UNL     1      11.065   0.381  -1.328  1.00  0.00           C  
HETATM   26  C   UNL     1       8.057   0.493   1.630  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.123  -1.688  -0.999  1.00  0.00           C  
HETATM   28  N   UNL     1      -4.423   0.131  -1.562  1.00  0.00           N  
HETATM   29  N   UNL     1       6.354   1.900   0.565  1.00  0.00           N  
HETATM   30  N   UNL     1       2.144   1.290  -0.288  1.00  0.00           N  
HETATM   31  N   UNL     1      -4.782  -1.096  -0.990  1.00  0.00           N  
HETATM   32  N   UNL     1      -0.222  -0.065  -0.314  1.00  0.00           N  
HETATM   33  N   UNL     1     -11.172   1.765   0.942  1.00  0.00           N1+
HETATM   34  N   UNL     1       0.562  -1.851   0.671  1.00  0.00           N1+
HETATM   35  N   UNL     1      -8.411  -1.038  -0.322  1.00  0.00           N  
HETATM   36  N   UNL     1       3.255  -0.474   0.786  1.00  0.00           N  
HETATM   37  N   UNL     1       8.868  -0.029   0.522  1.00  0.00           N1+
HETATM   38  O   UNL     1      -6.728   0.377  -0.030  1.00  0.00           O  
HETATM   39  F   UNL     1     -10.830  -1.796   0.863  1.00  0.00           F  
HETATM   40  S   UNL     1       4.708   1.828   0.162  1.00  0.00           S  
HETATM   41  H   UNL     1      -8.173   1.616  -0.481  1.00  0.00           H  
HETATM   42  H   UNL     1       5.800  -1.113   1.747  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.578   1.185  -1.683  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.631  -2.584   0.092  1.00  0.00           H  
HETATM   45  H   UNL     1      -9.856   3.235   0.293  1.00  0.00           H  
HETATM   46  H   UNL     1     -12.377   0.189   1.558  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.274  -2.969   0.671  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.000   1.670  -1.269  1.00  0.00           H  
HETATM   49  H   UNL     1       9.038  -1.123  -1.931  1.00  0.00           H  
HETATM   50  H   UNL     1       8.721  -2.801  -1.428  1.00  0.00           H  
HETATM   51  H   UNL     1      10.681  -2.750   0.064  1.00  0.00           H  
HETATM   52  H   UNL     1      11.170  -2.309  -1.591  1.00  0.00           H  
HETATM   53  H   UNL     1       7.282  -1.211  -0.182  1.00  0.00           H  
HETATM   54  H   UNL     1       8.414  -2.041   0.912  1.00  0.00           H  
HETATM   55  H   UNL     1      10.300  -0.929   1.767  1.00  0.00           H  
HETATM   56  H   UNL     1      10.632   0.766   1.337  1.00  0.00           H  
HETATM   57  H   UNL     1      12.153  -0.776   0.128  1.00  0.00           H  
HETATM   58  H   UNL     1       2.159   3.607  -1.302  1.00  0.00           H  
HETATM   59  H   UNL     1       0.862   3.204  -2.453  1.00  0.00           H  
HETATM   60  H   UNL     1       0.459   3.901  -0.866  1.00  0.00           H  
HETATM   61  H   UNL     1      10.033   0.501  -1.659  1.00  0.00           H  
HETATM   62  H   UNL     1      11.442   1.335  -0.960  1.00  0.00           H  
HETATM   63  H   UNL     1      11.678   0.046  -2.164  1.00  0.00           H  
HETATM   64  H   UNL     1       8.503   1.415   2.003  1.00  0.00           H  
HETATM   65  H   UNL     1       8.021  -0.243   2.432  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.121  -2.600  -0.403  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.409  -1.924  -2.024  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.703  -1.934  -0.553  1.00  0.00           H  
HETATM   69  H   UNL     1       3.227  -1.364   1.170  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.819   2.424   1.238  1.00  0.00           H  
HETATM   71  H   UNL     1       1.164  -2.477   1.102  1.00  0.00           H  
HETATM   72  H   UNL     1       8.836   0.619  -0.250  1.00  0.00           H  
CONECT    1    5    9    9   41                                       
CONECT    2   12   13   13   42                                       
CONECT    3    8   28   28   43                                       
CONECT    4   31    8    8   44                                       
CONECT    5   33   33    1   45                                       
CONECT    6   33   10   10   46                                       
CONECT    7   11   11   34   47                                       
CONECT    8    4    4   11    3                                       
CONECT    9    1    1   10   35                                       
CONECT   10    6    6    9   39                                       
CONECT   11   32    8    7    7                                       
CONECT   12   29   29   26    2                                       
CONECT   13   40    2    2   36                                       
CONECT   14   16   32   34   34                                       
CONECT   15   17   17   32   48                                       
CONECT   16   30   30   36   14                                       
CONECT   17   24   30   15   15                                       
CONECT   18   35   38   38   27                                       
CONECT   19   20   21   49   50                                       
CONECT   20   23   19   51   52                                       
CONECT   21   19   37   53   54                                       
CONECT   22   23   37   55   56                                       
CONECT   23   25   20   22   57                                       
CONECT   24   17   58   59   60                                       
CONECT   25   23   61   62   63                                       
CONECT   26   37   12   64   65                                       
CONECT   27   18   31   66   67                                       
CONECT   28   31    3    3                                            
CONECT   29   40   12   12                                            
CONECT   30   17   16   16                                            
CONECT   31    4   27   28                                            
CONECT   32   15   14   11                                            
CONECT   33    5    5    6   70                                       
CONECT   34   14   14    7   71                                       
CONECT   35    9   18   68                                            
CONECT   36   13   16   69                                            
CONECT   37   22   21   26   72                                       
CONECT   38   18   18                                                 
CONECT   39   10                                                      
CONECT   40   29   13                                                 
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    3                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   15                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   20                                                      
CONECT   53   21                                                      
CONECT   54   21                                                      
CONECT   55   22                                                      
CONECT   56   22                                                      
CONECT   57   23                                                      
CONECT   58   24                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   27                                                      
CONECT   67   27                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   33                                                      
CONECT   71   34                                                      
CONECT   72   37                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
