COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.797   1.116  -0.422  1.00  0.00           O  
HETATM    2  S   UNL     1      -6.392   0.480   0.783  1.00  0.00           S  
HETATM    3  O   UNL     1      -7.157   0.424   1.980  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.054  -1.194   0.352  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.057  -2.245   1.194  1.00  0.00           C  
HETATM    6  N   UNL     1      -5.745  -3.350   0.450  1.00  0.00           N  
HETATM    7  C   UNL     1      -5.632  -4.725   0.942  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.562  -2.936  -0.822  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.753  -1.646  -0.874  1.00  0.00           N  
HETATM   10  N   UNL     1      -4.953   1.185   1.202  1.00  0.00           N  
HETATM   11  C   UNL     1      -3.948   1.341   0.246  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.260   2.544   0.148  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.267   2.696  -0.799  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.633   0.294  -0.611  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.642   0.454  -1.560  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.956   1.651  -1.650  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.871   1.820  -2.683  1.00  0.00           C  
HETATM   18  C   UNL     1       0.452   1.402  -2.094  1.00  0.00           C  
HETATM   19  N   UNL     1       1.279   0.480  -2.623  1.00  0.00           N  
HETATM   20  C   UNL     1       2.373   0.392  -1.786  1.00  0.00           C  
HETATM   21  C   UNL     1       3.561  -0.371  -1.784  1.00  0.00           C  
HETATM   22  O   UNL     1       3.781  -1.171  -2.675  1.00  0.00           O  
HETATM   23  C   UNL     1       2.145   1.293  -0.753  1.00  0.00           C  
HETATM   24  N   UNL     1       0.971   1.881  -0.992  1.00  0.00           N  
HETATM   25  N   UNL     1       3.099   1.422   0.244  1.00  0.00           N  
HETATM   26  C   UNL     1       2.885   2.368   1.342  1.00  0.00           C  
HETATM   27  C   UNL     1       3.475   3.729   0.965  1.00  0.00           C  
HETATM   28  C   UNL     1       3.252   4.717   2.111  1.00  0.00           C  
HETATM   29  C   UNL     1       3.842   6.077   1.734  1.00  0.00           C  
HETATM   30  C   UNL     1       4.218   0.675   0.209  1.00  0.00           C  
HETATM   31  O   UNL     1       5.041   0.798   1.096  1.00  0.00           O  
HETATM   32  N   UNL     1       4.449  -0.204  -0.782  1.00  0.00           N  
HETATM   33  C   UNL     1       5.684  -0.993  -0.773  1.00  0.00           C  
HETATM   34  C   UNL     1       5.453  -2.279  -0.022  1.00  0.00           C  
HETATM   35  C   UNL     1       5.382  -2.270   1.360  1.00  0.00           C  
HETATM   36  F   UNL     1       5.514  -1.108   2.037  1.00  0.00           F  
HETATM   37  C   UNL     1       5.165  -3.452   2.049  1.00  0.00           C  
HETATM   38  C   UNL     1       5.030  -4.639   1.356  1.00  0.00           C  
HETATM   39  C   UNL     1       5.107  -4.648  -0.024  1.00  0.00           C  
HETATM   40  C   UNL     1       5.318  -3.468  -0.713  1.00  0.00           C  
HETATM   41  H   UNL     1      -6.266  -2.220   2.254  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.601  -5.218   0.870  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.903  -5.268   0.339  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.305  -4.714   1.982  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.304  -3.569  -1.659  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.809   1.488   2.112  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.502   3.360   0.813  1.00  0.00           H  
HETATM   48  H   UNL     1      -1.732   3.631  -0.875  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.165  -0.643  -0.538  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.397  -0.360  -2.226  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.820   2.865  -2.988  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.096   1.199  -3.550  1.00  0.00           H  
HETATM   53  H   UNL     1       1.133  -0.027  -3.437  1.00  0.00           H  
HETATM   54  H   UNL     1       3.375   1.997   2.242  1.00  0.00           H  
HETATM   55  H   UNL     1       1.816   2.474   1.528  1.00  0.00           H  
HETATM   56  H   UNL     1       2.985   4.100   0.065  1.00  0.00           H  
HETATM   57  H   UNL     1       4.544   3.622   0.779  1.00  0.00           H  
HETATM   58  H   UNL     1       3.742   4.346   3.011  1.00  0.00           H  
HETATM   59  H   UNL     1       2.183   4.823   2.297  1.00  0.00           H  
HETATM   60  H   UNL     1       4.911   5.971   1.548  1.00  0.00           H  
HETATM   61  H   UNL     1       3.352   6.448   0.834  1.00  0.00           H  
HETATM   62  H   UNL     1       3.683   6.781   2.551  1.00  0.00           H  
HETATM   63  H   UNL     1       5.978  -1.218  -1.798  1.00  0.00           H  
HETATM   64  H   UNL     1       6.475  -0.424  -0.285  1.00  0.00           H  
HETATM   65  H   UNL     1       5.104  -3.445   3.127  1.00  0.00           H  
HETATM   66  H   UNL     1       4.865  -5.562   1.893  1.00  0.00           H  
HETATM   67  H   UNL     1       5.001  -5.577  -0.565  1.00  0.00           H  
HETATM   68  H   UNL     1       5.377  -3.476  -1.791  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    3                                       
CONECT    2    4   10                                                 
CONECT    3    2    2                                                 
CONECT    4    2    5    5    9                                       
CONECT    5    4    4    6   41                                       
CONECT    6    5    7    8                                            
CONECT    7    6   42   43   44                                       
CONECT    8    6    9    9   45                                       
CONECT    9    4    8    8                                            
CONECT   10    2   11   46                                            
CONECT   11   10   12   12   14                                       
CONECT   12   11   11   13   47                                       
CONECT   13   12   16   16   48                                       
CONECT   14   11   15   15   49                                       
CONECT   15   14   14   16   50                                       
CONECT   16   13   13   15   17                                       
CONECT   17   16   18   51   52                                       
CONECT   18   17   19   24   24                                       
CONECT   19   18   20   53                                            
CONECT   20   19   21   23   23                                       
CONECT   21   20   22   22   32                                       
CONECT   22   21   21                                                 
CONECT   23   20   20   24   25                                       
CONECT   24   18   18   23                                            
CONECT   25   23   26   30                                            
CONECT   26   25   27   54   55                                       
CONECT   27   26   28   56   57                                       
CONECT   28   27   29   58   59                                       
CONECT   29   28   60   61   62                                       
CONECT   30   25   31   31   32                                       
CONECT   31   30   30                                                 
CONECT   32   21   30   33                                            
CONECT   33   32   34   63   64                                       
CONECT   34   33   35   40   40                                       
CONECT   35   34   36   37   37                                       
CONECT   36   35                                                      
CONECT   37   35   35   38   65                                       
CONECT   38   37   39   39   66                                       
CONECT   39   38   38   40   67                                       
CONECT   40   34   34   39   68                                       
CONECT   41    5                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   15                                                      
CONECT   51   17                                                      
CONECT   52   17                                                      
CONECT   53   19                                                      
CONECT   54   26                                                      
CONECT   55   26                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   28                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   29                                                      
CONECT   63   33                                                      
CONECT   64   33                                                      
CONECT   65   37                                                      
CONECT   66   38                                                      
CONECT   67   39                                                      
CONECT   68   40                                                      
MASTER        0    0    0    0    0    0    0    0   68    0   68    0
END
