COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.086  -2.517  -2.281  1.00  0.00           C  
HETATM    2  O   UNL     1       6.272  -1.460  -1.769  1.00  0.00           O  
HETATM    3  C   UNL     1       6.767  -0.752  -0.719  1.00  0.00           C  
HETATM    4  C   UNL     1       8.013  -1.066  -0.198  1.00  0.00           C  
HETATM    5  C   UNL     1       8.519  -0.343   0.865  1.00  0.00           C  
HETATM    6  C   UNL     1       7.781   0.696   1.411  1.00  0.00           C  
HETATM    7  O   UNL     1       8.279   1.408   2.457  1.00  0.00           O  
HETATM    8  C   UNL     1       9.569   1.031   2.943  1.00  0.00           C  
HETATM    9  C   UNL     1       6.534   1.010   0.890  1.00  0.00           C  
HETATM   10  C   UNL     1       6.029   0.287  -0.173  1.00  0.00           C  
HETATM   11  C   UNL     1       4.677   0.632  -0.744  1.00  0.00           C  
HETATM   12  C   UNL     1       3.612  -0.263  -0.109  1.00  0.00           C  
HETATM   13  C   UNL     1       2.260   0.082  -0.679  1.00  0.00           C  
HETATM   14  O   UNL     1       2.159   0.958  -1.512  1.00  0.00           O  
HETATM   15  N   UNL     1       1.164  -0.583  -0.264  1.00  0.00           N  
HETATM   16  C   UNL     1      -0.099  -0.194  -0.712  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.228  -0.814  -0.200  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.205   0.767  -1.618  1.00  0.00           N  
HETATM   19  C   UNL     1      -1.376   1.172  -2.074  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.547   0.607  -1.623  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.488  -0.412  -0.660  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.717  -1.041  -0.145  1.00  0.00           C  
HETATM   23  N   UNL     1      -3.941  -2.393   0.044  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.205  -2.526   0.533  1.00  0.00           C  
HETATM   25  S   UNL     1      -5.983  -4.052   0.947  1.00  0.00           S  
HETATM   26  C   UNL     1      -7.592  -3.441   1.510  1.00  0.00           C  
HETATM   27  N   UNL     1      -5.751  -1.338   0.649  1.00  0.00           N  
HETATM   28  C   UNL     1      -4.875  -0.397   0.250  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.111   1.065   0.233  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.064   1.946   0.507  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.287   3.307   0.485  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.549   3.800   0.192  1.00  0.00           C  
HETATM   33  F   UNL     1      -5.762   5.134   0.172  1.00  0.00           F  
HETATM   34  C   UNL     1      -6.592   2.929  -0.081  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.378   1.566  -0.062  1.00  0.00           C  
HETATM   36  H   UNL     1       8.036  -2.109  -2.625  1.00  0.00           H  
HETATM   37  H   UNL     1       7.268  -3.249  -1.494  1.00  0.00           H  
HETATM   38  H   UNL     1       6.574  -2.999  -3.114  1.00  0.00           H  
HETATM   39  H   UNL     1       8.588  -1.876  -0.623  1.00  0.00           H  
HETATM   40  H   UNL     1       9.490  -0.587   1.271  1.00  0.00           H  
HETATM   41  H   UNL     1       9.542  -0.005   3.280  1.00  0.00           H  
HETATM   42  H   UNL     1      10.303   1.133   2.143  1.00  0.00           H  
HETATM   43  H   UNL     1       9.847   1.677   3.776  1.00  0.00           H  
HETATM   44  H   UNL     1       5.959   1.819   1.315  1.00  0.00           H  
HETATM   45  H   UNL     1       4.449   1.676  -0.530  1.00  0.00           H  
HETATM   46  H   UNL     1       4.688   0.476  -1.822  1.00  0.00           H  
HETATM   47  H   UNL     1       3.840  -1.308  -0.322  1.00  0.00           H  
HETATM   48  H   UNL     1       3.601  -0.107   0.970  1.00  0.00           H  
HETATM   49  H   UNL     1       1.253  -1.332   0.346  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.137  -1.594   0.541  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.415   1.959  -2.813  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.500   0.946  -2.003  1.00  0.00           H  
HETATM   53  H   UNL     1      -3.315  -3.112  -0.138  1.00  0.00           H  
HETATM   54  H   UNL     1      -7.450  -2.772   2.358  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.079  -2.901   0.698  1.00  0.00           H  
HETATM   56  H   UNL     1      -8.215  -4.283   1.811  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.081   1.563   0.737  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.478   3.990   0.697  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.573   3.318  -0.309  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.191   0.889  -0.279  1.00  0.00           H  
CONECT    1    2   36   37   38                                       
CONECT    2    3    1                                                 
CONECT    3    4    4   10    2                                       
CONECT    4    5    3    3   39                                       
CONECT    5    6    6    4   40                                       
CONECT    6    7    5    5    9                                       
CONECT    7    8    6                                                 
CONECT    8    7   41   42   43                                       
CONECT    9    6   10   10   44                                       
CONECT   10    9    9    3   11                                       
CONECT   11   10   12   45   46                                       
CONECT   12   11   13   47   48                                       
CONECT   13   12   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   16   13   49                                            
CONECT   16   18   15   17   17                                       
CONECT   17   16   16   21   50                                       
CONECT   18   19   19   16                                            
CONECT   19   18   18   20   51                                       
CONECT   20   19   21   21   52                                       
CONECT   21   20   20   17   22                                       
CONECT   22   21   28   28   23                                       
CONECT   23   22   24   53                                            
CONECT   24   23   27   27   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   54   55   56                                       
CONECT   27   28   24   24                                            
CONECT   28   22   22   29   27                                       
CONECT   29   30   30   35   28                                       
CONECT   30   31   29   29   57                                       
CONECT   31   32   32   30   58                                       
CONECT   32   33   31   31   34                                       
CONECT   33   32                                                      
CONECT   34   32   35   35   59                                       
CONECT   35   34   34   29   60                                       
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    1                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    8                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   11                                                      
CONECT   46   11                                                      
CONECT   47   12                                                      
CONECT   48   12                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   19                                                      
CONECT   52   20                                                      
CONECT   53   23                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   30                                                      
CONECT   58   31                                                      
CONECT   59   34                                                      
CONECT   60   35                                                      
MASTER        0    0    0    0    0    0    0    0   60    0   60    0
END
