COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -10.274   1.646  -0.086  1.00  0.00           C  
HETATM    2  O   UNL     1      -8.921   2.085  -0.224  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.969   1.122  -0.345  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.635   1.479  -0.482  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.668   0.501  -0.605  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.030  -0.839  -0.592  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.365  -1.196  -0.455  1.00  0.00           C  
HETATM    8  C   UNL     1      -8.331  -0.217  -0.327  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.049  -1.832  -0.717  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.820  -1.633  -0.201  1.00  0.00           C  
HETATM   11  O   UNL     1      -3.589  -0.635   0.454  1.00  0.00           O  
HETATM   12  N   UNL     1      -2.846  -2.542  -0.410  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.599  -2.385   0.204  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.891  -3.500   0.636  1.00  0.00           C  
HETATM   15  C   UNL     1       0.342  -3.350   1.243  1.00  0.00           C  
HETATM   16  C   UNL     1       0.877  -2.091   1.425  1.00  0.00           C  
HETATM   17  C   UNL     1       0.174  -0.965   0.996  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.066  -1.117   0.378  1.00  0.00           C  
HETATM   19  C   UNL     1       0.746   0.387   1.191  1.00  0.00           C  
HETATM   20  C   UNL     1       2.059   0.765   0.956  1.00  0.00           C  
HETATM   21  N   UNL     1       2.133   2.105   1.272  1.00  0.00           N  
HETATM   22  C   UNL     1       0.905   2.491   1.676  1.00  0.00           C  
HETATM   23  N   UNL     1       0.087   1.477   1.623  1.00  0.00           N  
HETATM   24  C   UNL     1       3.325   2.953   1.184  1.00  0.00           C  
HETATM   25  C   UNL     1       3.467   3.488  -0.242  1.00  0.00           C  
HETATM   26  C   UNL     1       4.784   4.282  -0.390  1.00  0.00           C  
HETATM   27  C   UNL     1       4.413   5.452  -1.329  1.00  0.00           C  
HETATM   28  C   UNL     1       2.916   5.226  -1.637  1.00  0.00           C  
HETATM   29  O   UNL     1       2.424   4.446  -0.526  1.00  0.00           O  
HETATM   30  C   UNL     1       3.151  -0.089   0.470  1.00  0.00           C  
HETATM   31  N   UNL     1       3.013  -1.316   0.081  1.00  0.00           N  
HETATM   32  C   UNL     1       4.108  -1.966  -0.337  1.00  0.00           C  
HETATM   33  C   UNL     1       4.251  -3.297  -0.812  1.00  0.00           C  
HETATM   34  N   UNL     1       5.451  -3.724  -1.175  1.00  0.00           N  
HETATM   35  C   UNL     1       6.511  -2.940  -1.104  1.00  0.00           C  
HETATM   36  N   UNL     1       6.432  -1.700  -0.671  1.00  0.00           N  
HETATM   37  C   UNL     1       5.266  -1.182  -0.284  1.00  0.00           C  
HETATM   38  S   UNL     1       4.830   0.412   0.324  1.00  0.00           S  
HETATM   39  N   UNL     1       3.153  -4.135  -0.894  1.00  0.00           N  
HETATM   40  H   UNL     1     -10.366   1.028   0.807  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.930   2.512   0.001  1.00  0.00           H  
HETATM   42  H   UNL     1     -10.557   1.063  -0.963  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.354   2.521  -0.493  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.369  -0.494  -0.216  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.630   0.779  -0.712  1.00  0.00           H  
HETATM   46  H   UNL     1      -7.647  -2.238  -0.445  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.254  -2.662  -1.176  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.010  -3.304  -0.987  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.305  -4.488   0.496  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.613  -0.249   0.039  1.00  0.00           H  
HETATM   51  H   UNL     1       0.887  -4.220   1.577  1.00  0.00           H  
HETATM   52  H   UNL     1       1.840  -1.977   1.900  1.00  0.00           H  
HETATM   53  H   UNL     1       0.639   3.489   1.992  1.00  0.00           H  
HETATM   54  H   UNL     1       3.228   3.788   1.878  1.00  0.00           H  
HETATM   55  H   UNL     1       4.207   2.367   1.442  1.00  0.00           H  
HETATM   56  H   UNL     1       3.436   2.668  -0.959  1.00  0.00           H  
HETATM   57  H   UNL     1       5.113   4.659   0.578  1.00  0.00           H  
HETATM   58  H   UNL     1       5.556   3.660  -0.841  1.00  0.00           H  
HETATM   59  H   UNL     1       4.559   6.407  -0.825  1.00  0.00           H  
HETATM   60  H   UNL     1       5.003   5.408  -2.244  1.00  0.00           H  
HETATM   61  H   UNL     1       2.392   6.180  -1.693  1.00  0.00           H  
HETATM   62  H   UNL     1       2.800   4.673  -2.569  1.00  0.00           H  
HETATM   63  H   UNL     1       2.277  -3.816  -0.626  1.00  0.00           H  
HETATM   64  H   UNL     1       3.259  -5.043  -1.220  1.00  0.00           H  
HETATM   65  H   UNL     1       7.471  -3.328  -1.410  1.00  0.00           H  
CONECT    1    2   40   41   42                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    8    8                                       
CONECT    4    3    5    5   43                                       
CONECT    5    4    4    6   45                                       
CONECT    6    5    7    7    9                                       
CONECT    7    6    6    8   46                                       
CONECT    8    3    3    7   44                                       
CONECT    9    6   10   47                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   48                                            
CONECT   13   12   14   18   18                                       
CONECT   14   13   15   15   49                                       
CONECT   15   14   14   16   51                                       
CONECT   16   15   17   17   52                                       
CONECT   17   16   16   18   19                                       
CONECT   18   13   13   17   50                                       
CONECT   19   17   20   20   23                                       
CONECT   20   19   19   21   30                                       
CONECT   21   20   22   24                                            
CONECT   22   21   23   23   53                                       
CONECT   23   19   22   22                                            
CONECT   24   21   25   54   55                                       
CONECT   25   24   26   29   56                                       
CONECT   26   25   27   57   58                                       
CONECT   27   26   28   59   60                                       
CONECT   28   27   29   61   62                                       
CONECT   29   25   28                                                 
CONECT   30   20   31   31   38                                       
CONECT   31   30   30   32                                            
CONECT   32   31   33   33   37                                       
CONECT   33   32   32   34   39                                       
CONECT   34   33   35   35                                            
CONECT   35   34   34   36   65                                       
CONECT   36   35   37   37                                            
CONECT   37   32   36   36   38                                       
CONECT   38   30   37                                                 
CONECT   39   33   63   64                                            
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    4                                                      
CONECT   44    8                                                      
CONECT   45    5                                                      
CONECT   46    7                                                      
CONECT   47    9                                                      
CONECT   48   12                                                      
CONECT   49   14                                                      
CONECT   50   18                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   22                                                      
CONECT   54   24                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   26                                                      
CONECT   58   26                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   28                                                      
CONECT   62   28                                                      
CONECT   63   39                                                      
CONECT   64   39                                                      
CONECT   65   35                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
