COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       2.829   8.461  -1.134  1.00  0.00           O  
HETATM    2  C   UNL     1       3.745   7.728  -0.812  1.00  0.00           C  
HETATM    3  N   UNL     1       4.713   8.098   0.036  1.00  0.00           N  
HETATM    4  C   UNL     1       5.655   6.981   0.206  1.00  0.00           C  
HETATM    5  N   UNL     1       3.873   6.476  -1.270  1.00  0.00           N  
HETATM    6  C   UNL     1       5.084   5.874  -0.689  1.00  0.00           C  
HETATM    7  C   UNL     1       4.687   4.619   0.112  1.00  0.00           C  
HETATM    8  S   UNL     1       4.379   5.292   1.795  1.00  0.00           S  
HETATM    9  C   UNL     1       5.696   6.572   1.692  1.00  0.00           C  
HETATM   10  C   UNL     1       3.415   3.990  -0.461  1.00  0.00           C  
HETATM   11  C   UNL     1       3.117   2.681   0.273  1.00  0.00           C  
HETATM   12  C   UNL     1       1.845   2.053  -0.300  1.00  0.00           C  
HETATM   13  C   UNL     1       1.548   0.744   0.435  1.00  0.00           C  
HETATM   14  C   UNL     1       0.295   0.124  -0.129  1.00  0.00           C  
HETATM   15  O   UNL     1      -0.301   0.676  -1.030  1.00  0.00           O  
HETATM   16  N   UNL     1      -0.163  -1.042   0.367  1.00  0.00           N  
HETATM   17  N   UNL     1      -1.327  -1.617  -0.158  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.739  -2.875   0.276  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.101  -3.173   0.377  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.115  -2.151   0.023  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.157  -2.471  -0.846  1.00  0.00           C  
HETATM   22  C   UNL     1      -6.098  -1.515  -1.172  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.007  -0.241  -0.640  1.00  0.00           C  
HETATM   24  S   UNL     1      -7.212   0.974  -1.062  1.00  0.00           S  
HETATM   25  O   UNL     1      -7.766   0.574  -2.308  1.00  0.00           O  
HETATM   26  N   UNL     1      -8.432   0.861   0.051  1.00  0.00           N  
HETATM   27  C   UNL     1      -8.401   1.649   1.293  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.744   2.372   1.442  1.00  0.00           C  
HETATM   29  O   UNL     1     -10.806   1.422   1.320  1.00  0.00           O  
HETATM   30  C   UNL     1     -10.868   0.774   0.047  1.00  0.00           C  
HETATM   31  C   UNL     1      -9.585  -0.026  -0.176  1.00  0.00           C  
HETATM   32  O   UNL     1      -6.596   2.238  -0.855  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.975   0.082   0.222  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.032  -0.867   0.560  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.503  -4.434   0.812  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.561  -5.388   1.143  1.00  0.00           C  
HETATM   37  C   UNL     1      -1.213  -5.103   1.046  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.792  -3.849   0.608  1.00  0.00           C  
HETATM   39  C   UNL     1       0.656  -3.547   0.500  1.00  0.00           C  
HETATM   40  C   UNL     1       1.497  -3.749   1.593  1.00  0.00           C  
HETATM   41  C   UNL     1       2.843  -3.466   1.487  1.00  0.00           C  
HETATM   42  C   UNL     1       3.359  -2.983   0.298  1.00  0.00           C  
HETATM   43  C   UNL     1       2.529  -2.780  -0.790  1.00  0.00           C  
HETATM   44  C   UNL     1       1.182  -3.065  -0.697  1.00  0.00           C  
HETATM   45  S   UNL     1       5.079  -2.623   0.169  1.00  0.00           S  
HETATM   46  O   UNL     1       5.214  -1.674  -0.880  1.00  0.00           O  
HETATM   47  O   UNL     1       5.540  -2.389   1.492  1.00  0.00           O  
HETATM   48  N   UNL     1       5.831  -4.004  -0.351  1.00  0.00           N  
HETATM   49  C   UNL     1       6.010  -4.275  -1.786  1.00  0.00           C  
HETATM   50  C   UNL     1       7.481  -4.631  -2.031  1.00  0.00           C  
HETATM   51  O   UNL     1       7.868  -5.675  -1.135  1.00  0.00           O  
HETATM   52  C   UNL     1       7.795  -5.317   0.247  1.00  0.00           C  
HETATM   53  C   UNL     1       6.345  -4.994   0.609  1.00  0.00           C  
HETATM   54  H   UNL     1       4.783   8.964   0.469  1.00  0.00           H  
HETATM   55  H   UNL     1       3.267   6.036  -1.887  1.00  0.00           H  
HETATM   56  H   UNL     1       6.649   7.269  -0.138  1.00  0.00           H  
HETATM   57  H   UNL     1       5.796   5.617  -1.473  1.00  0.00           H  
HETATM   58  H   UNL     1       6.667   6.150   1.950  1.00  0.00           H  
HETATM   59  H   UNL     1       5.460   7.422   2.332  1.00  0.00           H  
HETATM   60  H   UNL     1       5.503   3.896   0.128  1.00  0.00           H  
HETATM   61  H   UNL     1       2.579   4.678  -0.331  1.00  0.00           H  
HETATM   62  H   UNL     1       3.556   3.787  -1.523  1.00  0.00           H  
HETATM   63  H   UNL     1       3.953   1.993   0.143  1.00  0.00           H  
HETATM   64  H   UNL     1       2.976   2.884   1.335  1.00  0.00           H  
HETATM   65  H   UNL     1       1.010   2.740  -0.170  1.00  0.00           H  
HETATM   66  H   UNL     1       1.987   1.849  -1.361  1.00  0.00           H  
HETATM   67  H   UNL     1       2.384   0.056   0.305  1.00  0.00           H  
HETATM   68  H   UNL     1       1.406   0.947   1.496  1.00  0.00           H  
HETATM   69  H   UNL     1       0.314  -1.483   1.088  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.847  -1.140  -0.823  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.555  -4.666   0.891  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.229  -3.465  -1.262  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.229  -0.615   1.237  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.906  -1.762  -1.845  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.909   1.078   0.635  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.244   0.986   2.145  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.594   2.380   1.244  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.562  -0.404  -1.198  1.00  0.00           H  
HETATM   79  H   UNL     1      -9.549  -0.860   0.525  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.794   2.850   2.421  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.839   3.127   0.662  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.726   0.103   0.022  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.967   1.524  -0.738  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.880  -6.364   1.479  1.00  0.00           H  
HETATM   85  H   UNL     1      -0.483  -5.855   1.307  1.00  0.00           H  
HETATM   86  H   UNL     1       1.095  -4.126   2.522  1.00  0.00           H  
HETATM   87  H   UNL     1       0.536  -2.911  -1.549  1.00  0.00           H  
HETATM   88  H   UNL     1       3.495  -3.622   2.333  1.00  0.00           H  
HETATM   89  H   UNL     1       2.937  -2.401  -1.716  1.00  0.00           H  
HETATM   90  H   UNL     1       5.376  -5.110  -2.084  1.00  0.00           H  
HETATM   91  H   UNL     1       5.745  -3.389  -2.363  1.00  0.00           H  
HETATM   92  H   UNL     1       6.303  -4.583   1.618  1.00  0.00           H  
HETATM   93  H   UNL     1       5.745  -5.903   0.557  1.00  0.00           H  
HETATM   94  H   UNL     1       7.607  -4.969  -3.060  1.00  0.00           H  
HETATM   95  H   UNL     1       8.101  -3.752  -1.857  1.00  0.00           H  
HETATM   96  H   UNL     1       8.147  -6.148   0.858  1.00  0.00           H  
HETATM   97  H   UNL     1       8.417  -4.441   0.430  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4   54                                            
CONECT    4    3    6    9   56                                       
CONECT    5    2    6   55                                            
CONECT    6    4    5    7   57                                       
CONECT    7    6    8   10   60                                       
CONECT    8    7    9                                                 
CONECT    9    4    8   58   59                                       
CONECT   10    7   11   61   62                                       
CONECT   11   10   12   63   64                                       
CONECT   12   11   13   65   66                                       
CONECT   13   12   14   67   68                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   69                                            
CONECT   17   16   18   70                                            
CONECT   18   17   19   38   38                                       
CONECT   19   18   20   35   35                                       
CONECT   20   19   21   34   34                                       
CONECT   21   20   22   22   72                                       
CONECT   22   21   21   23   74                                       
CONECT   23   22   24   33   33                                       
CONECT   24   23   25   25   26                                       
CONECT   24   32   32                                                 
CONECT   25   24   24                                                 
CONECT   26   24   27   31                                            
CONECT   27   26   28   76   77                                       
CONECT   28   27   29   80   81                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   82   83                                       
CONECT   31   26   30   78   79                                       
CONECT   32   24   24                                                 
CONECT   33   23   23   34   75                                       
CONECT   34   20   20   33   73                                       
CONECT   35   19   19   36   71                                       
CONECT   36   35   37   37   84                                       
CONECT   37   36   36   38   85                                       
CONECT   38   18   18   37   39                                       
CONECT   39   38   40   44   44                                       
CONECT   40   39   41   41   86                                       
CONECT   41   40   40   42   88                                       
CONECT   42   41   43   43   45                                       
CONECT   43   42   42   44   89                                       
CONECT   44   39   39   43   87                                       
CONECT   45   42   46   46   47                                       
CONECT   45   47   48                                                 
CONECT   46   45   45                                                 
CONECT   47   45   45                                                 
CONECT   48   45   49   53                                            
CONECT   49   48   50   90   91                                       
CONECT   50   49   51   94   95                                       
CONECT   51   50   52                                                 
CONECT   52   51   53   96   97                                       
CONECT   53   48   52   92   93                                       
CONECT   54    3                                                      
CONECT   55    5                                                      
CONECT   56    4                                                      
CONECT   57    6                                                      
CONECT   58    9                                                      
CONECT   59    9                                                      
CONECT   60    7                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   12                                                      
CONECT   67   13                                                      
CONECT   68   13                                                      
CONECT   69   16                                                      
CONECT   70   17                                                      
CONECT   71   35                                                      
CONECT   72   21                                                      
CONECT   73   34                                                      
CONECT   74   22                                                      
CONECT   75   33                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   31                                                      
CONECT   79   31                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   36                                                      
CONECT   85   37                                                      
CONECT   86   40                                                      
CONECT   87   44                                                      
CONECT   88   41                                                      
CONECT   89   43                                                      
CONECT   90   49                                                      
CONECT   91   49                                                      
CONECT   92   53                                                      
CONECT   93   53                                                      
CONECT   94   50                                                      
CONECT   95   50                                                      
CONECT   96   52                                                      
CONECT   97   52                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
