COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.378  -1.014  -1.629  1.00  0.00           O  
HETATM    2  S   UNL     1      -6.611  -0.785  -0.455  1.00  0.00           S  
HETATM    3  O   UNL     1      -7.069   0.012   0.628  1.00  0.00           O  
HETATM    4  N   UNL     1      -6.264  -2.276   0.175  1.00  0.00           N  
HETATM    5  C   UNL     1      -5.492  -2.386   1.415  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.186  -1.601   1.273  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.307  -1.813   2.576  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.175  -3.857   1.691  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.088  -0.076  -0.986  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.538  -0.448  -2.199  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.343   0.105  -2.619  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.694   1.033  -1.828  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.448   0.856  -0.193  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.243   1.410  -0.610  1.00  0.00           C  
HETATM   15  N   UNL     1      -2.592   2.353   0.191  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.211   2.328   0.307  1.00  0.00           C  
HETATM   17  N   UNL     1      -0.505   1.349  -0.249  1.00  0.00           N  
HETATM   18  C   UNL     1       0.815   1.322  -0.139  1.00  0.00           C  
HETATM   19  N   UNL     1       1.476   2.261   0.522  1.00  0.00           N  
HETATM   20  C   UNL     1       0.836   3.266   1.101  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.541   3.334   1.006  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.302   4.467   1.646  1.00  0.00           C  
HETATM   23  N   UNL     1       1.521   0.287  -0.730  1.00  0.00           N  
HETATM   24  C   UNL     1       2.904   0.184  -0.537  1.00  0.00           C  
HETATM   25  C   UNL     1       3.470   0.585   0.666  1.00  0.00           C  
HETATM   26  C   UNL     1       4.833   0.483   0.856  1.00  0.00           C  
HETATM   27  C   UNL     1       5.640  -0.020  -0.156  1.00  0.00           C  
HETATM   28  C   UNL     1       5.075  -0.421  -1.360  1.00  0.00           C  
HETATM   29  C   UNL     1       3.710  -0.324  -1.547  1.00  0.00           C  
HETATM   30  N   UNL     1       7.022  -0.123   0.036  1.00  0.00           N  
HETATM   31  C   UNL     1       7.330  -0.927   1.227  1.00  0.00           C  
HETATM   32  C   UNL     1       8.845  -0.949   1.447  1.00  0.00           C  
HETATM   33  N   UNL     1       9.502  -1.503   0.255  1.00  0.00           N  
HETATM   34  C   UNL     1       9.126  -2.909   0.052  1.00  0.00           C  
HETATM   35  C   UNL     1       9.194  -0.698  -0.935  1.00  0.00           C  
HETATM   36  C   UNL     1       7.680  -0.677  -1.155  1.00  0.00           C  
HETATM   37  H   UNL     1      -6.572  -3.077  -0.277  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.404  -0.533   1.252  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.536  -1.822   2.120  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.687  -1.889   0.348  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.291  -2.282   2.595  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.792  -2.013   3.516  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.420  -0.737   2.445  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.594  -4.265   0.863  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.600  -3.938   2.613  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.105  -4.416   1.791  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.044  -1.174  -2.820  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.916  -0.188  -3.567  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.760   1.465  -2.157  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.880   1.150   0.752  1.00  0.00           H  
HETATM   51  H   UNL     1      -3.107   3.025   0.664  1.00  0.00           H  
HETATM   52  H   UNL     1       1.384   4.025   1.638  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.569   4.194   2.667  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.679   5.361   1.660  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.208   4.664   1.074  1.00  0.00           H  
HETATM   56  H   UNL     1       1.057  -0.366  -1.277  1.00  0.00           H  
HETATM   57  H   UNL     1       2.842   0.976   1.454  1.00  0.00           H  
HETATM   58  H   UNL     1       5.273   0.795   1.792  1.00  0.00           H  
HETATM   59  H   UNL     1       5.702  -0.812  -2.147  1.00  0.00           H  
HETATM   60  H   UNL     1       3.270  -0.640  -2.482  1.00  0.00           H  
HETATM   61  H   UNL     1       6.842  -0.489   2.098  1.00  0.00           H  
HETATM   62  H   UNL     1       6.970  -1.945   1.081  1.00  0.00           H  
HETATM   63  H   UNL     1       9.201   0.067   1.620  1.00  0.00           H  
HETATM   64  H   UNL     1       9.078  -1.569   2.312  1.00  0.00           H  
HETATM   65  H   UNL     1       8.047  -2.981  -0.079  1.00  0.00           H  
HETATM   66  H   UNL     1       9.627  -3.294  -0.836  1.00  0.00           H  
HETATM   67  H   UNL     1       9.426  -3.494   0.922  1.00  0.00           H  
HETATM   68  H   UNL     1       9.555   0.320  -0.789  1.00  0.00           H  
HETATM   69  H   UNL     1       9.683  -1.136  -1.806  1.00  0.00           H  
HETATM   70  H   UNL     1       7.323  -1.692  -1.328  1.00  0.00           H  
HETATM   71  H   UNL     1       7.447  -0.057  -2.021  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    2    3    9                                                 
CONECT    3    2    2                                                 
CONECT    4    5    2   37                                            
CONECT    5    6    8    4    7                                       
CONECT    6    5   38   39   40                                       
CONECT    7    5   41   42   43                                       
CONECT    8    5   44   45   46                                       
CONECT    9    2   13   13   10                                       
CONECT   10    9   11   11   47                                       
CONECT   11   10   10   12   48                                       
CONECT   12   14   14   11   49                                       
CONECT   13    9    9   14   50                                       
CONECT   14   13   15   12   12                                       
CONECT   15   14   16   51                                            
CONECT   16   15   21   21   17                                       
CONECT   17   16   18   18                                            
CONECT   18   17   17   19   23                                       
CONECT   19   20   20   18                                            
CONECT   20   21   19   19   52                                       
CONECT   21   22   16   16   20                                       
CONECT   22   21   53   54   55                                       
CONECT   23   18   24   56                                            
CONECT   24   23   25   25   29                                       
CONECT   25   24   24   26   57                                       
CONECT   26   25   27   27   58                                       
CONECT   27   26   26   28   30                                       
CONECT   28   29   29   27   59                                       
CONECT   29   24   28   28   60                                       
CONECT   30   27   31   36                                            
CONECT   31   30   32   61   62                                       
CONECT   32   31   33   63   64                                       
CONECT   33   32   35   34                                            
CONECT   34   33   65   66   67                                       
CONECT   35   36   33   68   69                                       
CONECT   36   30   35   70   71                                       
CONECT   37    4                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   13                                                      
CONECT   51   15                                                      
CONECT   52   20                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   22                                                      
CONECT   56   23                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   31                                                      
CONECT   62   31                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   34                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
MASTER        0    0    0    0    0    0    0    0   71    0   71    0
END
