COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.755   2.662  -0.209  1.00  0.00           N  
HETATM    2  C   UNL     1       3.616   2.298   0.414  1.00  0.00           C  
HETATM    3  O   UNL     1       3.494   2.476   1.610  1.00  0.00           O  
HETATM    4  C   UNL     1       5.816   3.376   0.515  1.00  0.00           C  
HETATM    5  C   UNL     1       7.143   2.646   0.280  1.00  0.00           C  
HETATM    6  N   UNL     1       7.368   2.498  -1.164  1.00  0.00           N  
HETATM    7  C   UNL     1       6.328   1.664  -1.782  1.00  0.00           C  
HETATM    8  C   UNL     1       4.971   2.349  -1.630  1.00  0.00           C  
HETATM    9  N   UNL     1       2.613   1.737  -0.290  1.00  0.00           N  
HETATM   10  C   UNL     1       1.336   1.441   0.364  1.00  0.00           C  
HETATM   11  C   UNL     1       0.690   0.256  -0.307  1.00  0.00           C  
HETATM   12  O   UNL     1       1.053  -0.087  -1.412  1.00  0.00           O  
HETATM   13  C   UNL     1       0.412   2.656   0.253  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.870   2.396   1.046  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.534   2.279   2.534  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.845   3.556   0.833  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.168  -0.717  -0.254  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.269  -1.857   0.229  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.845  -1.636  -0.284  1.00  0.00           C  
HETATM   20  N   UNL     1      -0.291  -0.422   0.321  1.00  0.00           N  
HETATM   21  C   UNL     1       0.025  -2.836   0.093  1.00  0.00           C  
HETATM   22  C   UNL     1       1.415  -2.674  -0.527  1.00  0.00           C  
HETATM   23  C   UNL     1       2.272  -3.856  -0.156  1.00  0.00           C  
HETATM   24  C   UNL     1       2.295  -4.975  -0.967  1.00  0.00           C  
HETATM   25  C   UNL     1       3.081  -6.060  -0.627  1.00  0.00           C  
HETATM   26  C   UNL     1       3.845  -6.026   0.525  1.00  0.00           C  
HETATM   27  C   UNL     1       3.822  -4.907   1.336  1.00  0.00           C  
HETATM   28  C   UNL     1       3.039  -3.820   0.993  1.00  0.00           C  
HETATM   29  C   UNL     1      -7.198   2.545  -1.254  1.00  0.00           C  
HETATM   30  C   UNL     1      -7.100   1.383  -1.997  1.00  0.00           C  
HETATM   31  C   UNL     1      -6.385   0.307  -1.505  1.00  0.00           C  
HETATM   32  C   UNL     1      -5.768   0.392  -0.271  1.00  0.00           C  
HETATM   33  S   UNL     1      -4.857  -0.979   0.355  1.00  0.00           S  
HETATM   34  O   UNL     1      -5.445  -2.109  -0.276  1.00  0.00           O  
HETATM   35  O   UNL     1      -4.909  -0.820   1.766  1.00  0.00           O  
HETATM   36  C   UNL     1      -5.866   1.554   0.472  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.581   2.631  -0.020  1.00  0.00           C  
HETATM   38  H   UNL     1       5.890   4.398   0.142  1.00  0.00           H  
HETATM   39  H   UNL     1       5.588   3.388   1.581  1.00  0.00           H  
HETATM   40  H   UNL     1       7.958   3.222   0.718  1.00  0.00           H  
HETATM   41  H   UNL     1       7.103   1.661   0.745  1.00  0.00           H  
HETATM   42  H   UNL     1       7.425   3.398  -1.615  1.00  0.00           H  
HETATM   43  H   UNL     1       6.552   1.529  -2.840  1.00  0.00           H  
HETATM   44  H   UNL     1       6.299   0.693  -1.289  1.00  0.00           H  
HETATM   45  H   UNL     1       4.184   1.682  -1.982  1.00  0.00           H  
HETATM   46  H   UNL     1       4.962   3.270  -2.213  1.00  0.00           H  
HETATM   47  H   UNL     1       2.736   1.528  -1.229  1.00  0.00           H  
HETATM   48  H   UNL     1       1.510   1.212   1.416  1.00  0.00           H  
HETATM   49  H   UNL     1       0.917   3.534   0.656  1.00  0.00           H  
HETATM   50  H   UNL     1       0.163   2.828  -0.794  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.328   1.468   0.703  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.434   2.014   3.090  1.00  0.00           H  
HETATM   53  H   UNL     1       0.222   1.507   2.677  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.152   3.233   2.897  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.084   3.639  -0.227  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.759   3.371   1.398  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.387   4.483   1.176  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.788   0.231   0.126  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.174  -0.696  -1.343  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.263  -1.878   1.319  1.00  0.00           H  
HETATM   61  H   UNL     1      -2.649  -2.806  -0.150  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.863  -1.526  -1.368  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.630  -0.106   1.173  1.00  0.00           H  
HETATM   64  H   UNL     1       0.115  -2.894   1.177  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.435  -3.751  -0.282  1.00  0.00           H  
HETATM   66  H   UNL     1       1.324  -2.617  -1.612  1.00  0.00           H  
HETATM   67  H   UNL     1       1.875  -1.760  -0.152  1.00  0.00           H  
HETATM   68  H   UNL     1       1.698  -5.002  -1.867  1.00  0.00           H  
HETATM   69  H   UNL     1       3.098  -6.934  -1.260  1.00  0.00           H  
HETATM   70  H   UNL     1       4.458  -6.874   0.791  1.00  0.00           H  
HETATM   71  H   UNL     1       4.419  -4.880   2.236  1.00  0.00           H  
HETATM   72  H   UNL     1       3.025  -2.944   1.625  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.752   3.388  -1.640  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.582   1.316  -2.960  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.309  -0.601  -2.085  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.384   1.621   1.436  1.00  0.00           H  
HETATM   77  H   UNL     1      -6.657   3.538   0.560  1.00  0.00           H  
CONECT    1    2    4    8                                            
CONECT    2    1    3    3    9                                       
CONECT    3    2    2                                                 
CONECT    4    1    5   38   39                                       
CONECT    5    4    6   40   41                                       
CONECT    6    5    7   42                                            
CONECT    7    6    8   43   44                                       
CONECT    8    1    7   45   46                                       
CONECT    9   10   47    2                                            
CONECT   10    9   11   13   48                                       
CONECT   11   10   12   12   20                                       
CONECT   12   11   11                                                 
CONECT   13   10   14   49   50                                       
CONECT   14   13   15   16   51                                       
CONECT   15   14   52   53   54                                       
CONECT   16   14   55   56   57                                       
CONECT   17   18   58   59   33                                       
CONECT   18   17   19   60   61                                       
CONECT   19   18   20   21   62                                       
CONECT   20   19   63   11                                            
CONECT   21   19   22   64   65                                       
CONECT   22   21   23   66   67                                       
CONECT   23   22   24   24   28                                       
CONECT   24   23   23   25   68                                       
CONECT   25   24   26   26   69                                       
CONECT   26   25   25   27   70                                       
CONECT   27   26   28   28   71                                       
CONECT   28   23   27   27   72                                       
CONECT   29   30   30   37   73                                       
CONECT   30   29   29   31   74                                       
CONECT   31   30   32   32   75                                       
CONECT   32   31   31   33   36                                       
CONECT   33   32   34   34   35                                       
CONECT   33   35   17                                                 
CONECT   34   33   33                                                 
CONECT   35   33   33                                                 
CONECT   36   32   37   37   76                                       
CONECT   37   29   36   36   77                                       
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   13                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   17                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   20                                                      
CONECT   64   21                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   26                                                      
CONECT   71   27                                                      
CONECT   72   28                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   31                                                      
CONECT   76   36                                                      
CONECT   77   37                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
