COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       8.086   2.613  -0.289  1.00  0.00           S  
HETATM    2  N   UNL     1      -0.880  -2.841  -0.523  1.00  0.00           N  
HETATM    3  C   UNL     1      -1.059  -1.559  -0.810  1.00  0.00           C  
HETATM    4  N   UNL     1      -0.071  -0.683  -0.773  1.00  0.00           N  
HETATM    5  C   UNL     1       1.158  -1.062  -0.440  1.00  0.00           C  
HETATM    6  C   UNL     1       1.397  -2.411  -0.127  1.00  0.00           C  
HETATM    7  C   UNL     1       0.315  -3.308  -0.180  1.00  0.00           C  
HETATM    8  N   UNL     1       0.492  -4.647   0.118  1.00  0.00           N  
HETATM    9  N   UNL     1       2.713  -2.525   0.172  1.00  0.00           N  
HETATM   10  C   UNL     1       3.284  -1.360   0.065  1.00  0.00           C  
HETATM   11  N   UNL     1       2.366  -0.424  -0.310  1.00  0.00           N  
HETATM   12  O   UNL     1       8.191  -0.096  -1.029  1.00  0.00           O  
HETATM   13  C   UNL     1       2.623   1.001  -0.534  1.00  0.00           C  
HETATM   14  O   UNL     1       8.934   2.470  -1.421  1.00  0.00           O  
HETATM   15  C   UNL     1       8.658  -1.100   1.026  1.00  0.00           C  
HETATM   16  C   UNL     1       2.304   1.820   0.742  1.00  0.00           C  
HETATM   17  O   UNL     1       0.921   2.177   0.786  1.00  0.00           O  
HETATM   18  C   UNL     1       8.395   0.064   0.159  1.00  0.00           C  
HETATM   19  O   UNL     1       8.104   3.755   0.557  1.00  0.00           O  
HETATM   20  C   UNL     1       8.674  -2.393   0.484  1.00  0.00           C  
HETATM   21  O   UNL     1       8.448  -2.579  -0.841  1.00  0.00           O  
HETATM   22  C   UNL     1       3.192   3.074   0.553  1.00  0.00           C  
HETATM   23  O   UNL     1       2.427   4.152   0.012  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.336  -1.120  -1.165  1.00  0.00           N  
HETATM   25  N   UNL     1      -2.714   0.189  -1.500  1.00  0.00           N  
HETATM   26  N   UNL     1      -3.974   0.184  -1.765  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.463  -1.049  -1.628  1.00  0.00           C  
HETATM   28  C   UNL     1      -3.465  -1.880  -1.261  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.898  -1.451  -1.852  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.812  -0.583  -0.984  1.00  0.00           C  
HETATM   31  C   UNL     1       8.922  -3.480   1.308  1.00  0.00           C  
HETATM   32  C   UNL     1       4.273   2.623  -0.449  1.00  0.00           C  
HETATM   33  O   UNL     1       4.032   1.237  -0.743  1.00  0.00           O  
HETATM   34  C   UNL     1      -8.269  -0.991  -1.212  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.183  -0.123  -0.345  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.640  -0.531  -0.572  1.00  0.00           C  
HETATM   37  C   UNL     1     -11.554   0.337   0.295  1.00  0.00           C  
HETATM   38  C   UNL     1     -13.011  -0.071   0.068  1.00  0.00           C  
HETATM   39  C   UNL     1     -13.925   0.797   0.935  1.00  0.00           C  
HETATM   40  C   UNL     1     -15.382   0.389   0.708  1.00  0.00           C  
HETATM   41  C   UNL     1       9.152  -3.289   2.656  1.00  0.00           C  
HETATM   42  C   UNL     1       5.661   2.789   0.173  1.00  0.00           C  
HETATM   43  O   UNL     1       6.659   2.480  -0.802  1.00  0.00           O  
HETATM   44  C   UNL     1       9.137  -2.013   3.195  1.00  0.00           C  
HETATM   45  C   UNL     1       8.898  -0.920   2.390  1.00  0.00           C  
HETATM   46  N   UNL     1       8.381   1.306   0.684  1.00  0.00           N  
HETATM   47  C   UNL     1     -16.296   1.257   1.575  1.00  0.00           C  
HETATM   48  C   UNL     1     -17.753   0.849   1.348  1.00  0.00           C  
HETATM   49  C   UNL     1     -18.667   1.717   2.215  1.00  0.00           C  
HETATM   50  H   UNL     1      -0.261  -5.257   0.078  1.00  0.00           H  
HETATM   51  H   UNL     1       1.370  -4.977   0.367  1.00  0.00           H  
HETATM   52  H   UNL     1       4.330  -1.164   0.247  1.00  0.00           H  
HETATM   53  H   UNL     1       2.040   1.366  -1.380  1.00  0.00           H  
HETATM   54  H   UNL     1       2.591   1.271   1.639  1.00  0.00           H  
HETATM   55  H   UNL     1       0.672   2.691   1.567  1.00  0.00           H  
HETATM   56  H   UNL     1       9.248  -2.556  -1.383  1.00  0.00           H  
HETATM   57  H   UNL     1       3.646   3.366   1.500  1.00  0.00           H  
HETATM   58  H   UNL     1       1.696   4.438   0.577  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.546  -2.940  -1.073  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.154  -1.312  -2.902  1.00  0.00           H  
HETATM   61  H   UNL     1      -6.028  -2.499  -1.581  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.555  -0.722   0.066  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.682   0.465  -1.255  1.00  0.00           H  
HETATM   64  H   UNL     1       8.935  -4.478   0.895  1.00  0.00           H  
HETATM   65  H   UNL     1       4.202   3.215  -1.361  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.525  -0.852  -2.262  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.399  -2.039  -0.942  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.926  -0.262   0.706  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.052   0.925  -0.615  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.896  -0.392  -1.622  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.770  -1.579  -0.302  1.00  0.00           H  
HETATM   72  H   UNL     1     -11.297   0.198   1.345  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.424   1.385   0.025  1.00  0.00           H  
HETATM   74  H   UNL     1     -13.267   0.068  -0.982  1.00  0.00           H  
HETATM   75  H   UNL     1     -13.141  -1.119   0.338  1.00  0.00           H  
HETATM   76  H   UNL     1     -13.668   0.658   1.985  1.00  0.00           H  
HETATM   77  H   UNL     1     -13.794   1.845   0.665  1.00  0.00           H  
HETATM   78  H   UNL     1     -15.638   0.528  -0.343  1.00  0.00           H  
HETATM   79  H   UNL     1     -15.512  -0.659   0.978  1.00  0.00           H  
HETATM   80  H   UNL     1       9.344  -4.139   3.294  1.00  0.00           H  
HETATM   81  H   UNL     1       5.787   3.818   0.509  1.00  0.00           H  
HETATM   82  H   UNL     1       5.761   2.114   1.023  1.00  0.00           H  
HETATM   83  H   UNL     1       9.318  -1.874   4.251  1.00  0.00           H  
HETATM   84  H   UNL     1       8.888   0.072   2.814  1.00  0.00           H  
HETATM   85  H   UNL     1       8.544   1.433   1.632  1.00  0.00           H  
HETATM   86  H   UNL     1     -16.039   1.118   2.625  1.00  0.00           H  
HETATM   87  H   UNL     1     -16.165   2.305   1.305  1.00  0.00           H  
HETATM   88  H   UNL     1     -18.009   0.988   0.297  1.00  0.00           H  
HETATM   89  H   UNL     1     -17.883  -0.199   1.618  1.00  0.00           H  
HETATM   90  H   UNL     1     -19.705   1.426   2.053  1.00  0.00           H  
HETATM   91  H   UNL     1     -18.410   1.578   3.265  1.00  0.00           H  
HETATM   92  H   UNL     1     -18.536   2.765   1.944  1.00  0.00           H  
CONECT    1   46   14   14   19                                       
CONECT    1   19   43                                                 
CONECT    2    7    3    3                                            
CONECT    3    2    2    4   24                                       
CONECT    4    3    5    5                                            
CONECT    5    4    4    6   11                                       
CONECT    6    5    9    7    7                                       
CONECT    7    2    6    6    8                                       
CONECT    8    7   50   51                                            
CONECT    9    6   10   10                                            
CONECT   10    9    9   11   52                                       
CONECT   11    5   10   13                                            
CONECT   12   18   18                                                 
CONECT   13   11   16   33   53                                       
CONECT   14    1    1                                                 
CONECT   15   20   18   45   45                                       
CONECT   16   13   22   17   54                                       
CONECT   17   16   55                                                 
CONECT   18   12   12   15   46                                       
CONECT   19    1    1                                                 
CONECT   20   15   31   31   21                                       
CONECT   21   20   56                                                 
CONECT   22   16   23   32   57                                       
CONECT   23   22   58                                                 
CONECT   24    3   25   28                                            
CONECT   25   24   26   26                                            
CONECT   26   25   25   27                                            
CONECT   27   26   28   28   29                                       
CONECT   28   27   27   24   59                                       
CONECT   29   27   30   60   61                                       
CONECT   30   29   34   62   63                                       
CONECT   31   20   20   41   64                                       
CONECT   32   22   42   33   65                                       
CONECT   33   13   32                                                 
CONECT   34   30   35   66   67                                       
CONECT   35   34   36   68   69                                       
CONECT   36   35   37   70   71                                       
CONECT   37   36   38   72   73                                       
CONECT   38   37   39   74   75                                       
CONECT   39   38   40   76   77                                       
CONECT   40   39   47   78   79                                       
CONECT   41   31   44   44   80                                       
CONECT   42   32   43   81   82                                       
CONECT   43    1   42                                                 
CONECT   44   41   41   45   83                                       
CONECT   45   15   15   44   84                                       
CONECT   46    1   18   85                                            
CONECT   47   40   48   86   87                                       
CONECT   48   47   49   88   89                                       
CONECT   49   48   90   91   92                                       
CONECT   50    8                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   13                                                      
CONECT   54   16                                                      
CONECT   55   17                                                      
CONECT   56   21                                                      
CONECT   57   22                                                      
CONECT   58   23                                                      
CONECT   59   28                                                      
CONECT   60   29                                                      
CONECT   61   29                                                      
CONECT   62   30                                                      
CONECT   63   30                                                      
CONECT   64   31                                                      
CONECT   65   32                                                      
CONECT   66   34                                                      
CONECT   67   34                                                      
CONECT   68   35                                                      
CONECT   69   35                                                      
CONECT   70   36                                                      
CONECT   71   36                                                      
CONECT   72   37                                                      
CONECT   73   37                                                      
CONECT   74   38                                                      
CONECT   75   38                                                      
CONECT   76   39                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   40                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   42                                                      
CONECT   83   44                                                      
CONECT   84   45                                                      
CONECT   85   46                                                      
CONECT   86   47                                                      
CONECT   87   47                                                      
CONECT   88   48                                                      
CONECT   89   48                                                      
CONECT   90   49                                                      
CONECT   91   49                                                      
CONECT   92   49                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
