COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.799   2.975   1.320  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.628   2.216   0.389  1.00  0.00           C  
HETATM    3  C   UNL     1       0.753   1.694   0.086  1.00  0.00           C  
HETATM    4  N   UNL     1       1.752   2.572   0.701  1.00  0.00           N  
HETATM    5  C   UNL     1       1.759   2.755   2.036  1.00  0.00           C  
HETATM    6  O   UNL     1       0.938   2.193   2.729  1.00  0.00           O  
HETATM    7  C   UNL     1       2.787   3.658   2.668  1.00  0.00           C  
HETATM    8  C   UNL     1       2.575   3.690   4.183  1.00  0.00           C  
HETATM    9  C   UNL     1       0.900   0.281   0.652  1.00  0.00           C  
HETATM   10  C   UNL     1       2.235  -0.287   0.244  1.00  0.00           C  
HETATM   11  S   UNL     1       2.504  -1.173  -1.190  1.00  0.00           S  
HETATM   12  C   UNL     1       4.206  -1.367  -0.782  1.00  0.00           C  
HETATM   13  C   UNL     1       5.251  -2.007  -1.444  1.00  0.00           C  
HETATM   14  N   UNL     1       3.310  -0.162   0.926  1.00  0.00           N  
HETATM   15  C   UNL     1       4.432  -0.726   0.441  1.00  0.00           C  
HETATM   16  C   UNL     1       5.736  -0.742   0.978  1.00  0.00           C  
HETATM   17  C   UNL     1       6.745  -1.377   0.319  1.00  0.00           C  
HETATM   18  C   UNL     1       6.513  -2.010  -0.894  1.00  0.00           C  
HETATM   19  C   UNL     1       7.644  -2.703  -1.609  1.00  0.00           C  
HETATM   20  C   UNL     1       8.745  -1.688  -1.926  1.00  0.00           C  
HETATM   21  C   UNL     1       8.212  -3.808  -0.716  1.00  0.00           C  
HETATM   22  N   UNL     1      -1.674   1.834  -0.370  1.00  0.00           N  
HETATM   23  C   UNL     1      -3.017   2.336  -0.071  1.00  0.00           C  
HETATM   24  C   UNL     1      -3.214   3.696  -0.743  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.172   4.683  -0.213  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.369   6.043  -0.885  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.205   5.893  -2.399  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.248   4.906  -2.929  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.051   3.546  -2.257  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.060   1.349  -0.602  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.797   0.018  -0.049  1.00  0.00           N  
HETATM   32  C   UNL     1      -4.594  -1.017  -0.380  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.528  -0.847  -1.134  1.00  0.00           O  
HETATM   34  C   UNL     1      -4.325  -2.387   0.189  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.406  -2.331   1.715  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.367  -3.373  -0.342  1.00  0.00           C  
HETATM   37  N   UNL     1      -5.036  -4.726   0.114  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.455  -5.312   1.256  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.955  -6.515   1.317  1.00  0.00           N  
HETATM   40  C   UNL     1      -4.206  -6.739   0.227  1.00  0.00           C  
HETATM   41  C   UNL     1      -4.248  -5.634  -0.541  1.00  0.00           C  
HETATM   42  H   UNL     1       0.904   1.672  -0.993  1.00  0.00           H  
HETATM   43  H   UNL     1       2.409   3.022   0.146  1.00  0.00           H  
HETATM   44  H   UNL     1       3.786   3.281   2.449  1.00  0.00           H  
HETATM   45  H   UNL     1       2.682   4.666   2.265  1.00  0.00           H  
HETATM   46  H   UNL     1       1.576   4.067   4.402  1.00  0.00           H  
HETATM   47  H   UNL     1       2.680   2.683   4.586  1.00  0.00           H  
HETATM   48  H   UNL     1       3.318   4.344   4.640  1.00  0.00           H  
HETATM   49  H   UNL     1       0.838   0.316   1.740  1.00  0.00           H  
HETATM   50  H   UNL     1       0.102  -0.351   0.263  1.00  0.00           H  
HETATM   51  H   UNL     1       5.072  -2.500  -2.387  1.00  0.00           H  
HETATM   52  H   UNL     1       5.936  -0.248   1.917  1.00  0.00           H  
HETATM   53  H   UNL     1       7.739  -1.381   0.742  1.00  0.00           H  
HETATM   54  H   UNL     1       7.274  -3.139  -2.537  1.00  0.00           H  
HETATM   55  H   UNL     1       9.563  -2.189  -2.444  1.00  0.00           H  
HETATM   56  H   UNL     1       8.340  -0.901  -2.562  1.00  0.00           H  
HETATM   57  H   UNL     1       9.115  -1.252  -0.999  1.00  0.00           H  
HETATM   58  H   UNL     1       7.428  -4.531  -0.491  1.00  0.00           H  
HETATM   59  H   UNL     1       9.030  -4.309  -1.234  1.00  0.00           H  
HETATM   60  H   UNL     1       8.582  -3.372   0.211  1.00  0.00           H  
HETATM   61  H   UNL     1      -1.537   1.227  -1.114  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.134   2.443   1.007  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.214   4.070  -0.521  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.289   4.790   0.865  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.172   4.309  -0.435  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.369   6.417  -0.663  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.626   6.746  -0.507  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.346   6.862  -2.878  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.206   5.519  -2.621  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.247   5.280  -2.707  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.131   4.799  -4.008  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.051   3.172  -2.479  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.793   2.843  -2.635  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.055   1.677  -0.303  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.002   1.309  -1.689  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.050  -0.118   0.554  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.329  -2.715  -0.111  1.00  0.00           H  
HETATM   78  H   UNL     1      -4.211  -3.321   2.126  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.663  -1.628   2.093  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.401  -2.003   2.014  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.353  -3.096   0.031  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.370  -3.348  -1.431  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.097  -4.859   1.997  1.00  0.00           H  
HETATM   84  H   UNL     1      -3.669  -7.648   0.002  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.751  -5.489  -1.489  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   22    1    1    3                                       
CONECT    3    2    4    9   42                                       
CONECT    4    3    5   43                                            
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    8    5   44   45                                       
CONECT    8    7   46   47   48                                       
CONECT    9    3   10   49   50                                       
CONECT   10    9   14   14   11                                       
CONECT   11   10   12                                                 
CONECT   12   11   15   15   13                                       
CONECT   13   12   18   18   51                                       
CONECT   14   10   10   15                                            
CONECT   15   14   12   12   16                                       
CONECT   16   15   17   17   52                                       
CONECT   17   16   16   18   53                                       
CONECT   18   13   13   17   19                                       
CONECT   19   18   21   20   54                                       
CONECT   20   19   55   56   57                                       
CONECT   21   19   58   59   60                                       
CONECT   22   23    2   61                                            
CONECT   23   30   24   22   62                                       
CONECT   24   29   23   25   63                                       
CONECT   25   24   26   64   65                                       
CONECT   26   27   25   66   67                                       
CONECT   27   28   26   68   69                                       
CONECT   28   29   27   70   71                                       
CONECT   29   28   24   72   73                                       
CONECT   30   31   23   74   75                                       
CONECT   31   30   32   76                                            
CONECT   32   33   33   31   34                                       
CONECT   33   32   32                                                 
CONECT   34   36   32   35   77                                       
CONECT   35   34   78   79   80                                       
CONECT   36   37   34   81   82                                       
CONECT   37   41   38   36                                            
CONECT   38   39   39   37   83                                       
CONECT   39   40   38   38                                            
CONECT   40   41   41   39   84                                       
CONECT   41   40   40   37   85                                       
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   13                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   22                                                      
CONECT   62   23                                                      
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   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   38                                                      
CONECT   84   40                                                      
CONECT   85   41                                                      
MASTER        0    0    0    0    0    0    0    0   85    0   85    0
END
