COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.024  -2.067   0.812  1.00  0.00           N  
HETATM    2  C   UNL     1       1.827  -2.684   0.755  1.00  0.00           C  
HETATM    3  C   UNL     1       0.838  -2.020   1.487  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.460  -2.523   1.536  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.780  -3.681   0.862  1.00  0.00           C  
HETATM    6  C   UNL     1       0.191  -4.349   0.132  1.00  0.00           C  
HETATM    7  C   UNL     1       1.475  -3.868   0.073  1.00  0.00           C  
HETATM    8  S   UNL     1      -2.424  -4.313   0.928  1.00  0.00           S  
HETATM    9  O   UNL     1      -2.330  -5.703   0.651  1.00  0.00           O  
HETATM   10  O   UNL     1      -3.006  -3.795   2.116  1.00  0.00           O  
HETATM   11  N   UNL     1      -3.259  -3.640  -0.333  1.00  0.00           N  
HETATM   12  C   UNL     1      -3.286  -4.311  -1.635  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.545  -5.173  -1.739  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.637  -5.774  -3.143  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.479  -6.298  -0.705  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.971  -2.373  -0.147  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.078  -1.215  -0.598  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.844  -1.314  -2.004  1.00  0.00           O  
HETATM   19  C   UNL     1      -3.772   0.113  -0.289  1.00  0.00           C  
HETATM   20  N   UNL     1      -2.869   1.222  -0.610  1.00  0.00           N  
HETATM   21  C   UNL     1      -3.013   2.409   0.010  1.00  0.00           C  
HETATM   22  C   UNL     1       3.111  -0.984   1.505  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.891   2.561   0.836  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.183   3.428  -0.284  1.00  0.00           O  
HETATM   25  S   UNL     1       1.556  -0.590   2.224  1.00  0.00           S  
HETATM   26  C   UNL     1      -2.396   4.678   0.422  1.00  0.00           C  
HETATM   27  N   UNL     1       4.263  -0.239   1.661  1.00  0.00           N  
HETATM   28  C   UNL     1      -1.546   4.721   1.704  1.00  0.00           C  
HETATM   29  O   UNL     1      -0.593   5.782   1.551  1.00  0.00           O  
HETATM   30  C   UNL     1      -1.141   6.741   0.627  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.064   7.353  -0.096  1.00  0.00           O  
HETATM   32  C   UNL     1       0.252   6.586  -1.263  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.718   5.387  -1.310  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.893   5.866  -0.423  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.044   0.233  -1.130  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.529   2.675  -1.383  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.213   3.821  -1.023  1.00  0.00           C  
HETATM   38  C   UNL     1      -7.159   3.773  -0.016  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.421   2.579   0.630  1.00  0.00           C  
HETATM   40  C   UNL     1      -6.737   1.434   0.270  1.00  0.00           C  
HETATM   41  C   UNL     1      -5.791   1.482  -0.737  1.00  0.00           C  
HETATM   42  C   UNL     1       5.505  -0.666   1.012  1.00  0.00           C  
HETATM   43  C   UNL     1       6.703  -0.108   1.784  1.00  0.00           C  
HETATM   44  C   UNL     1       7.996  -0.505   1.067  1.00  0.00           C  
HETATM   45  N   UNL     1       7.981   0.026  -0.302  1.00  0.00           N  
HETATM   46  C   UNL     1       6.866  -0.532  -1.077  1.00  0.00           C  
HETATM   47  C   UNL     1       5.540  -0.135  -0.424  1.00  0.00           C  
HETATM   48  C   UNL     1       9.264  -0.217  -0.975  1.00  0.00           C  
HETATM   49  C   UNL     1      10.410   0.492  -0.225  1.00  0.00           C  
HETATM   50  C   UNL     1      11.376   1.024  -1.299  1.00  0.00           C  
HETATM   51  C   UNL     1      10.782   0.619  -2.664  1.00  0.00           C  
HETATM   52  C   UNL     1       9.271   0.432  -2.381  1.00  0.00           C  
HETATM   53  H   UNL     1      -1.218  -2.003   2.104  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.064  -5.257  -0.394  1.00  0.00           H  
HETATM   55  H   UNL     1       2.221  -4.399  -0.500  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.290  -3.563  -2.429  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.403  -4.943  -1.737  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.424  -4.556  -1.550  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.758  -6.391  -3.332  1.00  0.00           H  
HETATM   60  H   UNL     1      -5.535  -6.389  -3.217  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.684  -4.972  -3.880  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.601  -6.915  -0.895  1.00  0.00           H  
HETATM   63  H   UNL     1      -4.414  -5.870   0.295  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.377  -6.912  -0.779  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.885  -2.379  -0.741  1.00  0.00           H  
HETATM   66  H   UNL     1      -4.223  -2.249   0.906  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.128  -1.261  -0.067  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.648  -1.280  -2.540  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.030   0.151   0.769  1.00  0.00           H  
HETATM   70  H   UNL     1      -2.167   1.100  -1.269  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.452   4.802   0.663  1.00  0.00           H  
HETATM   72  H   UNL     1       4.249   0.567   2.200  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.184   4.918   2.566  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.026   3.773   1.836  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.784   7.473   1.117  1.00  0.00           H  
HETATM   76  H   UNL     1       0.124   7.200  -2.154  1.00  0.00           H  
HETATM   77  H   UNL     1       1.280   6.229  -1.203  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.054   5.201  -2.330  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.252   4.496  -0.888  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.683   6.391  -0.959  1.00  0.00           H  
HETATM   81  H   UNL     1      -4.779   0.285  -2.185  1.00  0.00           H  
HETATM   82  H   UNL     1      -5.677  -0.638  -0.957  1.00  0.00           H  
HETATM   83  H   UNL     1      -4.793   2.712  -2.173  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.008   4.753  -1.527  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.693   4.668   0.266  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.160   2.542   1.417  1.00  0.00           H  
HETATM   87  H   UNL     1      -6.941   0.501   0.775  1.00  0.00           H  
HETATM   88  H   UNL     1       5.554  -1.755   1.000  1.00  0.00           H  
HETATM   89  H   UNL     1       6.633   0.979   1.830  1.00  0.00           H  
HETATM   90  H   UNL     1       6.708  -0.516   2.794  1.00  0.00           H  
HETATM   91  H   UNL     1       8.851  -0.097   1.606  1.00  0.00           H  
HETATM   92  H   UNL     1       8.073  -1.592   1.033  1.00  0.00           H  
HETATM   93  H   UNL     1       6.900  -0.144  -2.095  1.00  0.00           H  
HETATM   94  H   UNL     1       6.948  -1.619  -1.100  1.00  0.00           H  
HETATM   95  H   UNL     1       4.713  -0.563  -0.991  1.00  0.00           H  
HETATM   96  H   UNL     1       5.451   0.951  -0.413  1.00  0.00           H  
HETATM   97  H   UNL     1       9.459  -1.287  -1.046  1.00  0.00           H  
HETATM   98  H   UNL     1      10.015   1.319   0.364  1.00  0.00           H  
HETATM   99  H   UNL     1      10.927  -0.216   0.423  1.00  0.00           H  
HETATM  100  H   UNL     1      11.449   2.109  -1.231  1.00  0.00           H  
HETATM  101  H   UNL     1      12.360   0.574  -1.172  1.00  0.00           H  
HETATM  102  H   UNL     1      10.938   1.410  -3.398  1.00  0.00           H  
HETATM  103  H   UNL     1      11.224  -0.316  -3.010  1.00  0.00           H  
HETATM  104  H   UNL     1       8.819  -0.234  -3.116  1.00  0.00           H  
HETATM  105  H   UNL     1       8.759   1.395  -2.364  1.00  0.00           H  
CONECT    1    2   22   22                                            
CONECT    2    1    3    3    7                                       
CONECT    3    2    2    4   25                                       
CONECT    4    3    5    5   53                                       
CONECT    5    4    4    6    8                                       
CONECT    6    5    7    7   54                                       
CONECT    7    2    6    6   55                                       
CONECT    8    5    9    9   10                                       
CONECT    8   10   11                                                 
CONECT    9    8    8                                                 
CONECT   10    8    8                                                 
CONECT   11    8   12   16                                            
CONECT   12   11   13   56   57                                       
CONECT   13   12   14   15   58                                       
CONECT   14   13   59   60   61                                       
CONECT   15   13   62   63   64                                       
CONECT   16   11   17   65   66                                       
CONECT   17   16   18   19   67                                       
CONECT   18   17   68                                                 
CONECT   19   17   20   35   69                                       
CONECT   20   19   21   70                                            
CONECT   21   20   23   23   24                                       
CONECT   22    1    1   25   27                                       
CONECT   23   21   21                                                 
CONECT   24   21   26                                                 
CONECT   25    3   22                                                 
CONECT   26   24   28   34   71                                       
CONECT   27   22   42   72                                            
CONECT   28   26   29   73   74                                       
CONECT   29   28   30                                                 
CONECT   30   29   31   34   75                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   76   77                                       
CONECT   33   32   34   78   79                                       
CONECT   34   26   30   33   80                                       
CONECT   35   19   41   81   82                                       
CONECT   36   37   37   41   83                                       
CONECT   37   36   36   38   84                                       
CONECT   38   37   39   39   85                                       
CONECT   39   38   38   40   86                                       
CONECT   40   39   41   41   87                                       
CONECT   41   35   36   40   40                                       
CONECT   42   27   43   47   88                                       
CONECT   43   42   44   89   90                                       
CONECT   44   43   45   91   92                                       
CONECT   45   44   46   48                                            
CONECT   46   45   47   93   94                                       
CONECT   47   42   46   95   96                                       
CONECT   48   45   49   52   97                                       
CONECT   49   48   50   98   99                                       
CONECT   50   49   51  100  101                                       
CONECT   51   50   52  102  103                                       
CONECT   52   48   51  104  105                                       
CONECT   53    4                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56   12                                                      
CONECT   57   12                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   14                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   15                                                      
CONECT   65   16                                                      
CONECT   66   16                                                      
CONECT   67   17                                                      
CONECT   68   18                                                      
CONECT   69   19                                                      
CONECT   70   20                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   28                                                      
CONECT   75   30                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   34                                                      
CONECT   81   35                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   39                                                      
CONECT   87   40                                                      
CONECT   88   42                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   47                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
CONECT   98   49                                                      
CONECT   99   49                                                      
CONECT  100   50                                                      
CONECT  101   50                                                      
CONECT  102   51                                                      
CONECT  103   51                                                      
CONECT  104   52                                                      
CONECT  105   52                                                      
MASTER        0    0    0    0    0    0    0    0  105    0  105    0
END
