COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.828   3.757  -0.052  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.294   0.488  -1.178  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.786   1.462   0.299  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.898   0.357   0.706  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.672  -1.702   0.174  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.483  -3.162  -1.501  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.340  -3.881   0.806  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.714  -0.134   1.716  1.00  0.00           C  
HETATM    9  C   UNL     1       4.691   0.605  -0.189  1.00  0.00           C  
HETATM   10  C   UNL     1       2.424   1.320  -0.276  1.00  0.00           C  
HETATM   11  C   UNL     1       1.907   0.172   0.313  1.00  0.00           C  
HETATM   12  C   UNL     1       0.628   0.176   0.837  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.143   1.319   0.779  1.00  0.00           C  
HETATM   14  C   UNL     1       0.367   2.476   0.190  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.459   3.704   0.126  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.744   2.613  -0.213  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.415   1.540  -1.058  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.975  -0.181  -0.572  1.00  0.00           C  
HETATM   19  C   UNL     1      -7.859  -1.207  -0.837  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.531  -4.243  -1.773  1.00  0.00           C  
HETATM   21  C   UNL     1     -10.388  -4.962   0.534  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.599  -1.161   1.451  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.957   2.559   0.482  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.019   5.804   0.133  1.00  0.00           C  
HETATM   25  C   UNL     1       0.884   7.745   0.449  1.00  0.00           C  
HETATM   26  C   UNL     1       1.657   2.473  -0.339  1.00  0.00           C  
HETATM   27  C   UNL     1       6.082   0.676  -0.684  1.00  0.00           C  
HETATM   28  C   UNL     1       7.106   0.029   0.008  1.00  0.00           C  
HETATM   29  C   UNL     1       6.798  -0.742   1.266  1.00  0.00           C  
HETATM   30  C   UNL     1       7.303  -3.148   0.815  1.00  0.00           C  
HETATM   31  C   UNL     1       6.583  -4.383   0.451  1.00  0.00           C  
HETATM   32  C   UNL     1       7.015  -5.692   0.226  1.00  0.00           C  
HETATM   33  C   UNL     1       6.099  -6.668  -0.109  1.00  0.00           C  
HETATM   34  C   UNL     1       4.756  -6.356  -0.223  1.00  0.00           C  
HETATM   35  C   UNL     1       4.320  -5.060  -0.003  1.00  0.00           C  
HETATM   36  C   UNL     1       5.225  -4.080   0.333  1.00  0.00           C  
HETATM   37  C   UNL     1       5.089  -2.608   0.632  1.00  0.00           C  
HETATM   38  C   UNL     1       8.406   0.095  -0.465  1.00  0.00           C  
HETATM   39  C   UNL     1       8.688   0.805  -1.624  1.00  0.00           C  
HETATM   40  C   UNL     1       7.674   1.448  -2.311  1.00  0.00           C  
HETATM   41  C   UNL     1       6.376   1.388  -1.849  1.00  0.00           C  
HETATM   42  N   UNL     1       3.721   1.314  -0.800  1.00  0.00           N  
HETATM   43  N   UNL     1      -4.436   0.475  -0.513  1.00  0.00           N  
HETATM   44  N   UNL     1      -6.000   1.398   0.975  1.00  0.00           N  
HETATM   45  N   UNL     1      -9.569  -2.742  -0.095  1.00  0.00           N  
HETATM   46  N   UNL     1     -10.302  -5.381  -0.872  1.00  0.00           N  
HETATM   47  N   UNL     1      -2.170   5.098  -0.041  1.00  0.00           N  
HETATM   48  N   UNL     1      -0.010   4.969   0.231  1.00  0.00           N  
HETATM   49  N   UNL     1       6.443  -2.120   0.920  1.00  0.00           N  
HETATM   50  O   UNL     1       4.422  -0.094   0.769  1.00  0.00           O  
HETATM   51  O   UNL     1       8.503  -3.071   0.998  1.00  0.00           O  
HETATM   52  O   UNL     1       9.406  -0.534   0.207  1.00  0.00           O  
HETATM   53  S   UNL     1      -0.901   7.560   0.213  1.00  0.00           S  
HETATM   54  H   UNL     1      -3.049  -0.338  -1.829  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.488  -3.561  -1.701  1.00  0.00           H  
HETATM   56  H   UNL     1      -9.667  -2.304  -2.148  1.00  0.00           H  
HETATM   57  H   UNL     1      -9.421  -3.548   1.841  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.344  -4.288   0.632  1.00  0.00           H  
HETATM   59  H   UNL     1      -7.658   0.286   2.709  1.00  0.00           H  
HETATM   60  H   UNL     1       2.506  -0.725   0.362  1.00  0.00           H  
HETATM   61  H   UNL     1       0.231  -0.719   1.293  1.00  0.00           H  
HETATM   62  H   UNL     1      -1.142   1.318   1.189  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.484   1.540  -1.605  1.00  0.00           H  
HETATM   64  H   UNL     1      -6.342   0.205  -1.359  1.00  0.00           H  
HETATM   65  H   UNL     1      -7.919  -1.625  -1.832  1.00  0.00           H  
HETATM   66  H   UNL     1     -11.527  -3.836  -1.599  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.449  -4.576  -2.808  1.00  0.00           H  
HETATM   68  H   UNL     1     -10.203  -5.819   1.181  1.00  0.00           H  
HETATM   69  H   UNL     1     -11.383  -4.563   0.734  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.231  -1.546   2.238  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.242   3.358   1.150  1.00  0.00           H  
HETATM   72  H   UNL     1       1.183   7.238   1.367  1.00  0.00           H  
HETATM   73  H   UNL     1       1.410   7.304  -0.397  1.00  0.00           H  
HETATM   74  H   UNL     1       1.133   8.803   0.521  1.00  0.00           H  
HETATM   75  H   UNL     1       2.057   3.366  -0.796  1.00  0.00           H  
HETATM   76  H   UNL     1       7.675  -0.744   1.914  1.00  0.00           H  
HETATM   77  H   UNL     1       5.964  -0.271   1.786  1.00  0.00           H  
HETATM   78  H   UNL     1       8.062  -5.939   0.314  1.00  0.00           H  
HETATM   79  H   UNL     1       6.433  -7.680  -0.283  1.00  0.00           H  
HETATM   80  H   UNL     1       4.045  -7.126  -0.486  1.00  0.00           H  
HETATM   81  H   UNL     1       3.272  -4.820  -0.093  1.00  0.00           H  
HETATM   82  H   UNL     1       4.680  -2.086  -0.233  1.00  0.00           H  
HETATM   83  H   UNL     1       4.445  -2.459   1.498  1.00  0.00           H  
HETATM   84  H   UNL     1       9.702   0.856  -1.990  1.00  0.00           H  
HETATM   85  H   UNL     1       7.900   1.998  -3.212  1.00  0.00           H  
HETATM   86  H   UNL     1       5.586   1.887  -2.390  1.00  0.00           H  
HETATM   87  H   UNL     1       3.923   1.820  -1.602  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.226   2.074   1.633  1.00  0.00           H  
HETATM   89  H   UNL     1     -10.948  -6.131  -1.066  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.061   5.466  -0.143  1.00  0.00           H  
HETATM   91  H   UNL     1       9.559  -1.445  -0.078  1.00  0.00           H  
CONECT    1   47   15   15   16                                       
CONECT    2   17   17   43   54                                       
CONECT    3   23   43   43   44                                       
CONECT    4   18   44    8    8                                       
CONECT    5   19   45   22   22                                       
CONECT    6   20   45   55   56                                       
CONECT    7   21   45   57   58                                       
CONECT    8    4    4   22   59                                       
CONECT    9   27   42   50   50                                       
CONECT   10   42   26   26   11                                       
CONECT   11   10   12   12   60                                       
CONECT   12   11   11   13   61                                       
CONECT   13   14   14   12   62                                       
CONECT   14   26   15   13   13                                       
CONECT   15   48   14    1    1                                       
CONECT   16    1   23   23   17                                       
CONECT   17   16    2    2   63                                       
CONECT   18   19   19    4   64                                       
CONECT   19   18   18    5   65                                       
CONECT   20   46    6   66   67                                       
CONECT   21   46    7   68   69                                       
CONECT   22    5    5    8   70                                       
CONECT   23   16   16    3   71                                       
CONECT   24   53   48   48   47                                       
CONECT   25   53   72   73   74                                       
CONECT   26   10   10   14   75                                       
CONECT   27   28   41   41    9                                       
CONECT   28   29   38   38   27                                       
CONECT   29   49   28   76   77                                       
CONECT   30   51   51   31   49                                       
CONECT   31   32   30   36   36                                       
CONECT   32   33   33   31   78                                       
CONECT   33   32   32   34   79                                       
CONECT   34   33   35   35   80                                       
CONECT   35   34   34   36   81                                       
CONECT   36   31   31   35   37                                       
CONECT   37   36   49   82   83                                       
CONECT   38   52   28   28   39                                       
CONECT   39   38   40   40   84                                       
CONECT   40   39   39   41   85                                       
CONECT   41   27   27   40   86                                       
CONECT   42    9   10   87                                            
CONECT   43    3    3    2                                            
CONECT   44    3    4   88                                            
CONECT   45    7    6    5                                            
CONECT   46   20   21   89                                            
CONECT   47   24    1   90                                            
CONECT   48   24   24   15                                            
CONECT   49   30   37   29                                            
CONECT   50    9    9                                                 
CONECT   51   30   30                                                 
CONECT   52   38   91                                                 
CONECT   53   25   24                                                 
CONECT   54    2                                                      
CONECT   55    6                                                      
CONECT   56    6                                                      
CONECT   57    7                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   21                                                      
CONECT   70   22                                                      
CONECT   71   23                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   29                                                      
CONECT   77   29                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   37                                                      
CONECT   83   37                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
CONECT   87   42                                                      
CONECT   88   44                                                      
CONECT   89   46                                                      
CONECT   90   47                                                      
CONECT   91   52                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
