COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1     -14.190   1.237   2.487  1.00  0.00           O  
HETATM    2  C   UNL     1     -14.521   1.688   1.253  1.00  0.00           C  
HETATM    3  C   UNL     1     -15.722   2.399   1.053  1.00  0.00           C  
HETATM    4  C   UNL     1     -16.598   2.658   2.120  1.00  0.00           C  
HETATM    5  C   UNL     1     -17.751   3.348   1.894  1.00  0.00           C  
HETATM    6  C   UNL     1     -18.074   3.803   0.618  1.00  0.00           C  
HETATM    7  C   UNL     1     -17.247   3.570  -0.439  1.00  0.00           C  
HETATM    8  C   UNL     1     -16.051   2.862  -0.245  1.00  0.00           C  
HETATM    9  C   UNL     1     -15.176   2.607  -1.319  1.00  0.00           C  
HETATM   10  C   UNL     1     -14.024   1.921  -1.113  1.00  0.00           C  
HETATM   11  C   UNL     1     -13.677   1.458   0.170  1.00  0.00           C  
HETATM   12  C   UNL     1     -12.417   0.722   0.366  1.00  0.00           C  
HETATM   13  O   UNL     1     -12.116   0.316   1.473  1.00  0.00           O  
HETATM   14  S   UNL     1     -11.345   0.428  -1.001  1.00  0.00           S  
HETATM   15  C   UNL     1     -10.019  -0.482  -0.171  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.940  -0.854  -1.191  1.00  0.00           C  
HETATM   17  N   UNL     1      -7.867  -1.591  -0.519  1.00  0.00           N  
HETATM   18  C   UNL     1      -6.803  -2.024  -1.224  1.00  0.00           C  
HETATM   19  O   UNL     1      -6.734  -1.803  -2.415  1.00  0.00           O  
HETATM   20  C   UNL     1      -5.699  -2.782  -0.534  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.621  -3.154  -1.553  1.00  0.00           C  
HETATM   22  N   UNL     1      -3.547  -3.891  -0.881  1.00  0.00           N  
HETATM   23  C   UNL     1      -2.483  -4.324  -1.587  1.00  0.00           C  
HETATM   24  O   UNL     1      -2.457  -4.186  -2.791  1.00  0.00           O  
HETATM   25  C   UNL     1      -1.326  -4.979  -0.878  1.00  0.00           C  
HETATM   26  O   UNL     1      -1.697  -5.274   0.470  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.124  -4.032  -0.881  1.00  0.00           C  
HETATM   28  C   UNL     1       0.367  -3.835  -2.316  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.538  -2.682  -0.293  1.00  0.00           C  
HETATM   30  C   UNL     1       1.001  -4.634  -0.036  1.00  0.00           C  
HETATM   31  O   UNL     1       2.123  -3.749  -0.038  1.00  0.00           O  
HETATM   32  P   UNL     1       3.490  -4.065   0.752  1.00  0.00           P  
HETATM   33  O   UNL     1       4.196  -5.360   0.107  1.00  0.00           O  
HETATM   34  O   UNL     1       3.187  -4.327   2.177  1.00  0.00           O  
HETATM   35  O   UNL     1       4.480  -2.801   0.638  1.00  0.00           O  
HETATM   36  P   UNL     1       5.814  -2.351   1.419  1.00  0.00           P  
HETATM   37  O   UNL     1       6.718  -3.513   1.562  1.00  0.00           O  
HETATM   38  O   UNL     1       5.420  -1.795   2.878  1.00  0.00           O  
HETATM   39  O   UNL     1       6.558  -1.191   0.587  1.00  0.00           O  
HETATM   40  C   UNL     1       7.827  -0.653   0.965  1.00  0.00           C  
HETATM   41  C   UNL     1       8.243   0.425  -0.038  1.00  0.00           C  
HETATM   42  O   UNL     1       7.398   1.589   0.095  1.00  0.00           O  
HETATM   43  C   UNL     1       9.667   0.933   0.280  1.00  0.00           C  
HETATM   44  O   UNL     1      10.627   0.292  -0.562  1.00  0.00           O  
HETATM   45  P   UNL     1      11.838  -0.602   0.011  1.00  0.00           P  
HETATM   46  O   UNL     1      12.622   0.194   0.982  1.00  0.00           O  
HETATM   47  O   UNL     1      11.242  -1.906   0.744  1.00  0.00           O  
HETATM   48  O   UNL     1      12.791  -1.057  -1.204  1.00  0.00           O  
HETATM   49  C   UNL     1       9.603   2.446  -0.028  1.00  0.00           C  
HETATM   50  O   UNL     1      10.521   2.785  -1.069  1.00  0.00           O  
HETATM   51  C   UNL     1       8.148   2.673  -0.495  1.00  0.00           C  
HETATM   52  N   UNL     1       7.651   3.962  -0.007  1.00  0.00           N  
HETATM   53  C   UNL     1       6.982   4.178   1.162  1.00  0.00           C  
HETATM   54  N   UNL     1       6.690   5.441   1.279  1.00  0.00           N  
HETATM   55  C   UNL     1       7.150   6.113   0.196  1.00  0.00           C  
HETATM   56  C   UNL     1       7.777   5.173  -0.639  1.00  0.00           C  
HETATM   57  N   UNL     1       8.323   5.584  -1.778  1.00  0.00           N  
HETATM   58  C   UNL     1       8.282   6.854  -2.122  1.00  0.00           C  
HETATM   59  N   UNL     1       7.707   7.774  -1.370  1.00  0.00           N  
HETATM   60  C   UNL     1       7.128   7.456  -0.217  1.00  0.00           C  
HETATM   61  N   UNL     1       6.529   8.427   0.567  1.00  0.00           N  
HETATM   62  H   UNL     1     -14.516   0.348   2.682  1.00  0.00           H  
HETATM   63  H   UNL     1     -16.360   2.310   3.114  1.00  0.00           H  
HETATM   64  H   UNL     1     -18.423   3.545   2.716  1.00  0.00           H  
HETATM   65  H   UNL     1     -18.994   4.348   0.465  1.00  0.00           H  
HETATM   66  H   UNL     1     -17.512   3.929  -1.423  1.00  0.00           H  
HETATM   67  H   UNL     1     -15.424   2.958  -2.310  1.00  0.00           H  
HETATM   68  H   UNL     1     -13.362   1.731  -1.945  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.582   0.142   0.608  1.00  0.00           H  
HETATM   70  H   UNL     1     -10.425  -1.389   0.276  1.00  0.00           H  
HETATM   71  H   UNL     1      -9.377  -1.479  -1.970  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.534   0.053  -1.637  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.922  -1.768   0.433  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.262  -2.158   0.246  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.105  -3.689  -0.087  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.057  -3.779  -2.332  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.214  -2.247  -2.000  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.602  -4.068   0.071  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.061  -5.903  -1.393  1.00  0.00           H  
HETATM   80  H   UNL     1      -1.946  -4.496   0.988  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.407  -3.335  -2.899  1.00  0.00           H  
HETATM   82  H   UNL     1       1.269  -3.223  -2.311  1.00  0.00           H  
HETATM   83  H   UNL     1       0.588  -4.805  -2.762  1.00  0.00           H  
HETATM   84  H   UNL     1      -0.887  -2.823   0.730  1.00  0.00           H  
HETATM   85  H   UNL     1       0.319  -2.007  -0.294  1.00  0.00           H  
HETATM   86  H   UNL     1      -1.339  -2.253  -0.895  1.00  0.00           H  
HETATM   87  H   UNL     1       0.651  -4.775   0.987  1.00  0.00           H  
HETATM   88  H   UNL     1       1.296  -5.596  -0.455  1.00  0.00           H  
HETATM   89  H   UNL     1       4.424  -5.259  -0.827  1.00  0.00           H  
HETATM   90  H   UNL     1       4.827  -1.031   2.861  1.00  0.00           H  
HETATM   91  H   UNL     1       7.753  -0.214   1.960  1.00  0.00           H  
HETATM   92  H   UNL     1       8.572  -1.449   0.973  1.00  0.00           H  
HETATM   93  H   UNL     1       8.198   0.035  -1.054  1.00  0.00           H  
HETATM   94  H   UNL     1       9.908   0.765   1.329  1.00  0.00           H  
HETATM   95  H   UNL     1      10.716  -2.476   0.166  1.00  0.00           H  
HETATM   96  H   UNL     1      13.543  -1.600  -0.932  1.00  0.00           H  
HETATM   97  H   UNL     1       9.811   3.028   0.870  1.00  0.00           H  
HETATM   98  H   UNL     1      10.522   3.723  -1.303  1.00  0.00           H  
HETATM   99  H   UNL     1       8.087   2.629  -1.582  1.00  0.00           H  
HETATM  100  H   UNL     1       6.733   3.415   1.883  1.00  0.00           H  
HETATM  101  H   UNL     1       8.736   7.155  -3.055  1.00  0.00           H  
HETATM  102  H   UNL     1       6.119   8.185   1.411  1.00  0.00           H  
HETATM  103  H   UNL     1       6.520   9.351   0.271  1.00  0.00           H  
CONECT    1    2   62                                                 
CONECT    2   11   11    1    3                                       
CONECT    3    2    8    8    4                                       
CONECT    4    3    5    5   63                                       
CONECT    5    4    4    6   64                                       
CONECT    6    7    7    5   65                                       
CONECT    7    8    6    6   66                                       
CONECT    8    9    3    3    7                                       
CONECT    9   10   10    8   67                                       
CONECT   10   11    9    9   68                                       
CONECT   11   12    2    2   10                                       
CONECT   12   13   13   14   11                                       
CONECT   13   12   12                                                 
CONECT   14   15   12                                                 
CONECT   15   16   14   69   70                                       
CONECT   16   17   15   71   72                                       
CONECT   17   18   16   73                                            
CONECT   18   20   19   19   17                                       
CONECT   19   18   18                                                 
CONECT   20   21   18   74   75                                       
CONECT   21   22   20   76   77                                       
CONECT   22   23   21   78                                            
CONECT   23   25   24   24   22                                       
CONECT   24   23   23                                                 
CONECT   25   27   26   23   79                                       
CONECT   26   25   80                                                 
CONECT   27   30   29   25   28                                       
CONECT   28   27   81   82   83                                       
CONECT   29   27   84   85   86                                       
CONECT   30   31   27   87   88                                       
CONECT   31   32   30                                                 
CONECT   32   34   34   33   35                                       
CONECT   32   31                                                      
CONECT   33   32   89                                                 
CONECT   34   32   32                                                 
CONECT   35   32   36                                                 
CONECT   36   37   37   35   38                                       
CONECT   36   39                                                      
CONECT   37   36   36                                                 
CONECT   38   36   90                                                 
CONECT   39   36   40                                                 
CONECT   40   39   41   91   92                                       
CONECT   41   40   43   42   93                                       
CONECT   42   41   51                                                 
CONECT   43   41   44   49   94                                       
CONECT   44   43   45                                                 
CONECT   45   46   46   47   44                                       
CONECT   45   48                                                      
CONECT   46   45   45                                                 
CONECT   47   45   95                                                 
CONECT   48   45   96                                                 
CONECT   49   43   51   50   97                                       
CONECT   50   49   98                                                 
CONECT   51   42   49   52   99                                       
CONECT   52   51   53   56                                            
CONECT   53   52   54   54  100                                       
CONECT   54   53   53   55                                            
CONECT   55   54   56   56   60                                       
CONECT   56   52   55   55   57                                       
CONECT   57   56   58   58                                            
CONECT   58   57   57   59  101                                       
CONECT   59   60   60   58                                            
CONECT   60   55   61   59   59                                       
CONECT   61   60  102  103                                            
CONECT   62    1                                                      
CONECT   63    4                                                      
CONECT   64    5                                                      
CONECT   65    6                                                      
CONECT   66    7                                                      
CONECT   67    9                                                      
CONECT   68   10                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   17                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   21                                                      
CONECT   77   21                                                      
CONECT   78   22                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   28                                                      
CONECT   82   28                                                      
CONECT   83   28                                                      
CONECT   84   29                                                      
CONECT   85   29                                                      
CONECT   86   29                                                      
CONECT   87   30                                                      
CONECT   88   30                                                      
CONECT   89   33                                                      
CONECT   90   38                                                      
CONECT   91   40                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   43                                                      
CONECT   95   47                                                      
CONECT   96   48                                                      
CONECT   97   49                                                      
CONECT   98   50                                                      
CONECT   99   51                                                      
CONECT  100   53                                                      
CONECT  101   58                                                      
CONECT  102   61                                                      
CONECT  103   61                                                      
MASTER        0    0    0    0    0    0    0    0  103    0  103    0
END
