COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       2.444  -1.418  -1.070  1.00  0.00           S  
HETATM    2  O   UNL     1      -0.639   3.008   1.240  1.00  0.00           O  
HETATM    3  N   UNL     1       3.358  -0.279   0.934  1.00  0.00           N  
HETATM    4  C   UNL     1       2.256  -0.419   0.300  1.00  0.00           C  
HETATM    5  C   UNL     1       4.446  -0.908   0.451  1.00  0.00           C  
HETATM    6  C   UNL     1       4.154  -1.633  -0.710  1.00  0.00           C  
HETATM    7  C   UNL     1       5.155  -2.353  -1.359  1.00  0.00           C  
HETATM    8  C   UNL     1       6.437  -2.353  -0.857  1.00  0.00           C  
HETATM    9  C   UNL     1       8.634  -2.178  -1.993  1.00  0.00           C  
HETATM   10  O   UNL     1      -5.573  -0.810  -0.780  1.00  0.00           O  
HETATM   11  O   UNL     1       1.125   2.274   2.641  1.00  0.00           O  
HETATM   12  C   UNL     1       7.520  -3.132  -1.558  1.00  0.00           C  
HETATM   13  C   UNL     1       8.091  -4.183  -0.604  1.00  0.00           C  
HETATM   14  C   UNL     1       0.954   0.220   0.712  1.00  0.00           C  
HETATM   15  C   UNL     1       0.828   1.593   0.050  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.924   2.350  -0.031  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.525   2.178   0.362  1.00  0.00           C  
HETATM   18  C   UNL     1       2.858   3.820   3.924  1.00  0.00           C  
HETATM   19  C   UNL     1       3.012   3.672   2.408  1.00  0.00           C  
HETATM   20  C   UNL     1       1.936   2.759   1.881  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.609   1.781  -0.334  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.099   3.665  -0.793  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.991   3.401  -2.296  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.166   4.716  -3.059  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.075   5.700  -2.635  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.182   5.964  -1.132  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.007   4.649  -0.369  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.016   1.365  -0.455  1.00  0.00           C  
HETATM   29  N   UNL     1      -3.779   0.069   0.184  1.00  0.00           N  
HETATM   30  C   UNL     1      -4.620  -0.959  -0.045  1.00  0.00           C  
HETATM   31  C   UNL     1      -4.377  -2.293   0.612  1.00  0.00           C  
HETATM   32  C   UNL     1      -4.404  -2.125   2.133  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.468  -3.278   0.188  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.153  -4.664   0.754  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.201  -5.609   0.347  1.00  0.00           N  
HETATM   36  C   UNL     1      -6.189  -5.814  -1.107  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.065  -6.886   1.061  1.00  0.00           C  
HETATM   38  N   UNL     1       1.874   2.481   0.563  1.00  0.00           N  
HETATM   39  C   UNL     1       5.767  -0.927   0.941  1.00  0.00           C  
HETATM   40  C   UNL     1       6.733  -1.636   0.293  1.00  0.00           C  
HETATM   41  H   UNL     1       4.925  -2.911  -2.254  1.00  0.00           H  
HETATM   42  H   UNL     1       9.052  -1.684  -1.117  1.00  0.00           H  
HETATM   43  H   UNL     1       9.417  -2.742  -2.501  1.00  0.00           H  
HETATM   44  H   UNL     1       8.227  -1.430  -2.673  1.00  0.00           H  
HETATM   45  H   UNL     1       7.102  -3.626  -2.435  1.00  0.00           H  
HETATM   46  H   UNL     1       7.298  -4.862  -0.294  1.00  0.00           H  
HETATM   47  H   UNL     1       8.875  -4.746  -1.112  1.00  0.00           H  
HETATM   48  H   UNL     1       8.509  -3.688   0.273  1.00  0.00           H  
HETATM   49  H   UNL     1       0.124  -0.413   0.398  1.00  0.00           H  
HETATM   50  H   UNL     1       0.933   0.335   1.796  1.00  0.00           H  
HETATM   51  H   UNL     1       0.938   1.488  -1.029  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.000   2.538   1.040  1.00  0.00           H  
HETATM   53  H   UNL     1       1.879   4.243   4.149  1.00  0.00           H  
HETATM   54  H   UNL     1       2.947   2.841   4.395  1.00  0.00           H  
HETATM   55  H   UNL     1       3.636   4.480   4.305  1.00  0.00           H  
HETATM   56  H   UNL     1       2.922   4.650   1.937  1.00  0.00           H  
HETATM   57  H   UNL     1       3.991   3.248   2.183  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.517   1.117  -1.036  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.077   4.088  -0.568  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.013   2.977  -2.522  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.769   2.700  -2.599  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.090   4.528  -4.130  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.145   5.139  -2.833  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.096   5.277  -2.861  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.199   6.637  -3.178  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.404   6.666  -0.830  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.160   6.388  -0.906  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.083   4.837   0.702  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.028   4.226  -0.595  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.989   1.749  -0.149  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.996   1.246  -1.538  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.017  -0.050   0.772  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.403  -2.677   0.306  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.228  -3.090   2.608  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.626  -1.424   2.435  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.378  -1.742   2.438  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.431  -2.939   0.571  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.508  -3.330  -0.900  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.190  -5.002   0.372  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.114  -4.611   1.842  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.221  -6.214  -1.409  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.975  -6.518  -1.382  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.362  -4.863  -1.610  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.148  -6.713   2.134  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.853  -7.567   0.740  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.093  -7.325   0.837  1.00  0.00           H  
HETATM   87  H   UNL     1       2.523   2.868  -0.045  1.00  0.00           H  
HETATM   88  H   UNL     1       6.016  -0.374   1.834  1.00  0.00           H  
HETATM   89  H   UNL     1       7.741  -1.641   0.680  1.00  0.00           H  
CONECT    1    6    4                                                 
CONECT    2   17   17                                                 
CONECT    3    5    4    4                                            
CONECT    4    1    3    3   14                                       
CONECT    5   39   39    6    3                                       
CONECT    6    7    7    5    1                                       
CONECT    7    8    6    6   41                                       
CONECT    8   12   40   40    7                                       
CONECT    9   12   42   43   44                                       
CONECT   10   30   30                                                 
CONECT   11   20   20                                                 
CONECT   12    9   13    8   45                                       
CONECT   13   12   46   47   48                                       
CONECT   14    4   15   49   50                                       
CONECT   15   38   14   17   51                                       
CONECT   16   21   22   28   52                                       
CONECT   17   15    2    2   21                                       
CONECT   18   19   53   54   55                                       
CONECT   19   20   18   56   57                                       
CONECT   20   19   38   11   11                                       
CONECT   21   17   16   58                                            
CONECT   22   23   16   27   59                                       
CONECT   23   24   22   60   61                                       
CONECT   24   23   25   62   63                                       
CONECT   25   24   26   64   65                                       
CONECT   26   25   27   66   67                                       
CONECT   27   22   26   68   69                                       
CONECT   28   16   29   70   71                                       
CONECT   29   30   28   72                                            
CONECT   30   31   29   10   10                                       
CONECT   31   32   33   30   73                                       
CONECT   32   31   74   75   76                                       
CONECT   33   31   34   77   78                                       
CONECT   34   33   35   79   80                                       
CONECT   35   34   37   36                                            
CONECT   36   35   81   82   83                                       
CONECT   37   35   84   85   86                                       
CONECT   38   20   15   87                                            
CONECT   39   40    5    5   88                                       
CONECT   40    8    8   39   89                                       
CONECT   41    7                                                      
CONECT   42    9                                                      
CONECT   43    9                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   13                                                      
CONECT   49   14                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   16                                                      
CONECT   53   18                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   19                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   25                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
MASTER        0    0    0    0    0    0    0    0   89    0   89    0
END
