COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1      -2.064  -0.249   3.388  1.00  0.00           S  
HETATM    2  N   UNL     1      -1.841  -1.514   2.624  1.00  0.00           N  
HETATM    3  N   UNL     1      -1.674  -0.455   4.815  1.00  0.00           N  
HETATM    4  C   UNL     1      -1.056   1.076   2.670  1.00  0.00           C  
HETATM    5  C   UNL     1       0.403   0.623   2.596  1.00  0.00           C  
HETATM    6  C   UNL     1       0.492  -0.658   1.808  1.00  0.00           C  
HETATM    7  O   UNL     1       0.939  -1.659   2.327  1.00  0.00           O  
HETATM    8  N   UNL     1       0.075  -0.692   0.527  1.00  0.00           N  
HETATM    9  C   UNL     1       0.161  -1.937  -0.238  1.00  0.00           C  
HETATM   10  C   UNL     1       1.492  -2.027  -0.936  1.00  0.00           C  
HETATM   11  O   UNL     1       1.595  -2.660  -1.969  1.00  0.00           O  
HETATM   12  N   UNL     1       2.579  -1.403  -0.399  1.00  0.00           N  
HETATM   13  C   UNL     1       3.797  -1.390  -1.241  1.00  0.00           C  
HETATM   14  C   UNL     1       4.318   0.046  -1.318  1.00  0.00           C  
HETATM   15  C   UNL     1       4.105   0.598  -2.728  1.00  0.00           C  
HETATM   16  C   UNL     1       2.923   1.570  -2.729  1.00  0.00           C  
HETATM   17  C   UNL     1       2.123   1.398  -4.021  1.00  0.00           C  
HETATM   18  C   UNL     1       0.725   1.993  -3.848  1.00  0.00           C  
HETATM   19  N   UNL     1      -0.189   0.971  -3.333  1.00  0.00           N  
HETATM   20  C   UNL     1       0.937   0.390   4.010  1.00  0.00           C  
HETATM   21  C   UNL     1       0.943   1.714   4.778  1.00  0.00           C  
HETATM   22  C   UNL     1       1.330   1.457   6.235  1.00  0.00           C  
HETATM   23  C   UNL     1       1.955   2.668   4.141  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.966  -1.985  -1.268  1.00  0.00           C  
HETATM   25  C   UNL     1      -0.910  -0.783  -2.175  1.00  0.00           C  
HETATM   26  C   UNL     1       0.160  -0.037  -2.476  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.043  -0.211  -2.911  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.529   0.880  -3.634  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.398  -0.533  -3.004  1.00  0.00           C  
HETATM   30  C   UNL     1      -2.378   1.613  -4.456  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.217   0.205  -3.812  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.711   1.274  -4.539  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.817   0.208   3.300  1.00  0.00           C  
HETATM   34  H   UNL     1      -1.985  -1.532   1.665  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.758   0.273   5.450  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.129   1.966   3.294  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.417   1.304   1.667  1.00  0.00           H  
HETATM   38  H   UNL     1       0.998   1.393   2.105  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.282   0.108   0.112  1.00  0.00           H  
HETATM   40  H   UNL     1       0.058  -2.783   0.445  1.00  0.00           H  
HETATM   41  H   UNL     1       2.569  -0.998   0.482  1.00  0.00           H  
HETATM   42  H   UNL     1       3.561  -1.748  -2.242  1.00  0.00           H  
HETATM   43  H   UNL     1       4.557  -2.031  -0.793  1.00  0.00           H  
HETATM   44  H   UNL     1       5.383   0.056  -1.082  1.00  0.00           H  
HETATM   45  H   UNL     1       3.783   0.664  -0.598  1.00  0.00           H  
HETATM   46  H   UNL     1       3.903  -0.221  -3.417  1.00  0.00           H  
HETATM   47  H   UNL     1       5.004   1.125  -3.050  1.00  0.00           H  
HETATM   48  H   UNL     1       3.295   2.593  -2.667  1.00  0.00           H  
HETATM   49  H   UNL     1       2.282   1.368  -1.871  1.00  0.00           H  
HETATM   50  H   UNL     1       2.041   0.338  -4.262  1.00  0.00           H  
HETATM   51  H   UNL     1       2.637   1.913  -4.834  1.00  0.00           H  
HETATM   52  H   UNL     1       0.362   2.351  -4.812  1.00  0.00           H  
HETATM   53  H   UNL     1       0.768   2.827  -3.147  1.00  0.00           H  
HETATM   54  H   UNL     1       1.953  -0.001   3.955  1.00  0.00           H  
HETATM   55  H   UNL     1       0.299  -0.326   4.526  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.050   2.160   4.739  1.00  0.00           H  
HETATM   57  H   UNL     1       1.334   2.400   6.782  1.00  0.00           H  
HETATM   58  H   UNL     1       0.609   0.777   6.688  1.00  0.00           H  
HETATM   59  H   UNL     1       2.324   1.010   6.274  1.00  0.00           H  
HETATM   60  H   UNL     1       2.959   2.254   4.243  1.00  0.00           H  
HETATM   61  H   UNL     1       1.720   2.796   3.085  1.00  0.00           H  
HETATM   62  H   UNL     1       1.909   3.635   4.643  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.875  -2.894  -1.865  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.927  -1.998  -0.748  1.00  0.00           H  
HETATM   65  H   UNL     1       1.161  -0.197  -2.105  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.798  -1.362  -2.440  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.994   2.445  -5.028  1.00  0.00           H  
HETATM   68  H   UNL     1      -5.265  -0.043  -3.883  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.369   1.844  -5.178  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.423  -0.588   3.731  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.980   1.131   3.857  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.102   0.358   2.259  1.00  0.00           H  
CONECT    1    2    2    3    3                                       
CONECT    1    4   33                                                 
CONECT    2    1    1   34                                            
CONECT    3    1    1   35                                            
CONECT    4    1    5   36   37                                       
CONECT    5    4    6   20   38                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6    9   39                                            
CONECT    9    8   10   24   40                                       
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   41                                            
CONECT   13   12   14   42   43                                       
CONECT   14   13   15   44   45                                       
CONECT   15   14   16   46   47                                       
CONECT   16   15   17   48   49                                       
CONECT   17   16   18   50   51                                       
CONECT   18   17   19   52   53                                       
CONECT   19   18   26   28                                            
CONECT   20    5   21   54   55                                       
CONECT   21   20   22   23   56                                       
CONECT   22   21   57   58   59                                       
CONECT   23   21   60   61   62                                       
CONECT   24    9   25   63   64                                       
CONECT   25   24   26   26   27                                       
CONECT   26   19   25   25   65                                       
CONECT   27   25   28   28   29                                       
CONECT   28   19   27   27   30                                       
CONECT   29   27   31   31   66                                       
CONECT   30   28   32   32   67                                       
CONECT   31   29   29   32   68                                       
CONECT   32   30   30   31   69                                       
CONECT   33    1   70   71   72                                       
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   18                                                      
CONECT   53   18                                                      
CONECT   54   20                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   23                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   26                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   32                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   33                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
