COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -8.103  -7.446   1.026  1.00  0.00           N  
HETATM    2  C   UNL     1      -8.360  -6.883  -0.141  1.00  0.00           C  
HETATM    3  N   UNL     1      -8.210  -5.592  -0.350  1.00  0.00           N  
HETATM    4  C   UNL     1      -7.787  -4.792   0.623  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.501  -5.343   1.884  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.676  -6.727   2.058  1.00  0.00           C  
HETATM    7  N   UNL     1      -7.410  -7.326   3.277  1.00  0.00           N  
HETATM    8  N   UNL     1      -7.094  -4.326   2.681  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.112  -3.213   2.007  1.00  0.00           C  
HETATM   10  N   UNL     1      -7.532  -3.448   0.731  1.00  0.00           N  
HETATM   11  C   UNL     1      -7.684  -2.449  -0.329  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.134  -1.901  -0.360  1.00  0.00           C  
HETATM   13  O   UNL     1      -9.977  -2.734  -1.159  1.00  0.00           O  
HETATM   14  C   UNL     1      -8.942  -0.514  -1.019  1.00  0.00           C  
HETATM   15  O   UNL     1      -9.240  -0.578  -2.415  1.00  0.00           O  
HETATM   16  C   UNL     1      -7.451  -0.194  -0.799  1.00  0.00           C  
HETATM   17  O   UNL     1      -6.885  -1.281  -0.046  1.00  0.00           O  
HETATM   18  C   UNL     1      -7.310   1.115  -0.019  1.00  0.00           C  
HETATM   19  O   UNL     1      -5.927   1.464   0.079  1.00  0.00           O  
HETATM   20  P   UNL     1     -10.375   0.326  -3.113  1.00  0.00           P  
HETATM   21  O   UNL     1     -10.346   0.089  -4.705  1.00  0.00           O  
HETATM   22  O   UNL     1     -11.819  -0.087  -2.535  1.00  0.00           O  
HETATM   23  O   UNL     1     -10.116   1.754  -2.822  1.00  0.00           O  
HETATM   24  P   UNL     1      -5.408   2.786   0.836  1.00  0.00           P  
HETATM   25  O   UNL     1      -3.799   2.793   0.864  1.00  0.00           O  
HETATM   26  P   UNL     1      -2.698   3.548   1.764  1.00  0.00           P  
HETATM   27  O   UNL     1      -1.286   3.556   0.991  1.00  0.00           O  
HETATM   28  C   UNL     1      -0.133   4.243   1.482  1.00  0.00           C  
HETATM   29  C   UNL     1       1.031   4.046   0.509  1.00  0.00           C  
HETATM   30  C   UNL     1       2.265   4.781   1.036  1.00  0.00           C  
HETATM   31  C   UNL     1       3.449   4.468   0.157  1.00  0.00           C  
HETATM   32  N   UNL     1       4.435   3.671   0.614  1.00  0.00           N  
HETATM   33  C   UNL     1       5.529   3.276  -0.277  1.00  0.00           C  
HETATM   34  C   UNL     1       6.506   2.377   0.483  1.00  0.00           C  
HETATM   35  C   UNL     1       7.632   1.970  -0.433  1.00  0.00           C  
HETATM   36  N   UNL     1       8.618   1.173   0.023  1.00  0.00           N  
HETATM   37  C   UNL     1       9.712   0.778  -0.867  1.00  0.00           C  
HETATM   38  C   UNL     1      10.689  -0.121  -0.107  1.00  0.00           C  
HETATM   39  O   UNL     1      -2.536   2.781   3.170  1.00  0.00           O  
HETATM   40  O   UNL     1      -5.937   4.093   0.058  1.00  0.00           O  
HETATM   41  O   UNL     1      -3.134   4.941   2.009  1.00  0.00           O  
HETATM   42  O   UNL     1      -5.925   2.796   2.223  1.00  0.00           O  
HETATM   43  C   UNL     1       1.342   2.553   0.382  1.00  0.00           C  
HETATM   44  C   UNL     1       0.650   4.606  -0.862  1.00  0.00           C  
HETATM   45  O   UNL     1       3.515   4.934  -0.961  1.00  0.00           O  
HETATM   46  O   UNL     1       7.650   2.361  -1.581  1.00  0.00           O  
HETATM   47  C   UNL     1      11.831  -0.534  -1.037  1.00  0.00           C  
HETATM   48  C   UNL     1      12.809  -1.432  -0.277  1.00  0.00           C  
HETATM   49  S   UNL     1      14.163  -1.922  -1.380  1.00  0.00           S  
HETATM   50  C   UNL     1      15.197  -2.941  -0.381  1.00  0.00           C  
HETATM   51  O   UNL     1       2.539   4.356   2.372  1.00  0.00           O  
HETATM   52  O   UNL     1      13.689  -2.794  -2.396  1.00  0.00           O  
HETATM   53  O   UNL     1      14.977  -0.801  -1.698  1.00  0.00           O  
HETATM   54  C   UNL     1      14.979  -4.305  -0.327  1.00  0.00           C  
HETATM   55  C   UNL     1      15.790  -5.104   0.456  1.00  0.00           C  
HETATM   56  C   UNL     1      16.820  -4.539   1.186  1.00  0.00           C  
HETATM   57  C   UNL     1      17.038  -3.175   1.133  1.00  0.00           C  
HETATM   58  C   UNL     1      16.230  -2.376   0.344  1.00  0.00           C  
HETATM   59  H   UNL     1      -8.705  -7.504  -0.953  1.00  0.00           H  
HETATM   60  H   UNL     1      -7.098  -6.790   4.023  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.534  -8.281   3.385  1.00  0.00           H  
HETATM   62  H   UNL     1      -6.835  -2.246   2.399  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.414  -2.874  -1.296  1.00  0.00           H  
HETATM   64  H   UNL     1      -9.533  -1.801   0.650  1.00  0.00           H  
HETATM   65  H   UNL     1     -10.055  -3.641  -0.834  1.00  0.00           H  
HETATM   66  H   UNL     1      -9.571   0.231  -0.530  1.00  0.00           H  
HETATM   67  H   UNL     1      -6.945  -0.109  -1.760  1.00  0.00           H  
HETATM   68  H   UNL     1      -7.848   1.908  -0.539  1.00  0.00           H  
HETATM   69  H   UNL     1      -7.724   0.989   0.981  1.00  0.00           H  
HETATM   70  H   UNL     1     -11.005   0.603  -5.191  1.00  0.00           H  
HETATM   71  H   UNL     1     -12.056  -1.011  -2.690  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.355   5.306   1.573  1.00  0.00           H  
HETATM   73  H   UNL     1       0.138   3.843   2.460  1.00  0.00           H  
HETATM   74  H   UNL     1       2.080   5.855   1.027  1.00  0.00           H  
HETATM   75  H   UNL     1       4.420   3.359   1.532  1.00  0.00           H  
HETATM   76  H   UNL     1       5.124   2.732  -1.131  1.00  0.00           H  
HETATM   77  H   UNL     1       6.051   4.166  -0.628  1.00  0.00           H  
HETATM   78  H   UNL     1       6.911   2.921   1.337  1.00  0.00           H  
HETATM   79  H   UNL     1       5.984   1.487   0.834  1.00  0.00           H  
HETATM   80  H   UNL     1       8.603   0.860   0.942  1.00  0.00           H  
HETATM   81  H   UNL     1       9.307   0.234  -1.721  1.00  0.00           H  
HETATM   82  H   UNL     1      10.234   1.668  -1.218  1.00  0.00           H  
HETATM   83  H   UNL     1      11.094   0.423   0.747  1.00  0.00           H  
HETATM   84  H   UNL     1      10.167  -1.011   0.244  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.252   1.860   3.085  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.636   4.153  -0.859  1.00  0.00           H  
HETATM   87  H   UNL     1       0.463   2.029   0.007  1.00  0.00           H  
HETATM   88  H   UNL     1       2.172   2.413  -0.311  1.00  0.00           H  
HETATM   89  H   UNL     1       1.614   2.154   1.359  1.00  0.00           H  
HETATM   90  H   UNL     1       0.504   5.684  -0.787  1.00  0.00           H  
HETATM   91  H   UNL     1       1.448   4.397  -1.575  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.273   4.137  -1.202  1.00  0.00           H  
HETATM   93  H   UNL     1      11.427  -1.078  -1.891  1.00  0.00           H  
HETATM   94  H   UNL     1      12.354   0.356  -1.388  1.00  0.00           H  
HETATM   95  H   UNL     1      13.214  -0.888   0.577  1.00  0.00           H  
HETATM   96  H   UNL     1      12.286  -2.322   0.074  1.00  0.00           H  
HETATM   97  H   UNL     1       2.714   3.409   2.456  1.00  0.00           H  
HETATM   98  H   UNL     1      14.175  -4.746  -0.897  1.00  0.00           H  
HETATM   99  H   UNL     1      15.620  -6.169   0.499  1.00  0.00           H  
HETATM  100  H   UNL     1      17.453  -5.163   1.799  1.00  0.00           H  
HETATM  101  H   UNL     1      17.842  -2.734   1.703  1.00  0.00           H  
HETATM  102  H   UNL     1      16.403  -1.311   0.299  1.00  0.00           H  
CONECT    1    6    6    2                                            
CONECT    2    1    3    3   59                                       
CONECT    3    2    2    4                                            
CONECT    4    3    5    5   10                                       
CONECT    5    4    4    8    6                                       
CONECT    6    1    1    5    7                                       
CONECT    7    6   60   61                                            
CONECT    8    5    9    9                                            
CONECT    9    8    8   10   62                                       
CONECT   10    4    9   11                                            
CONECT   11   10   12   17   63                                       
CONECT   12   11   14   13   64                                       
CONECT   13   12   65                                                 
CONECT   14   12   16   15   66                                       
CONECT   15   14   20                                                 
CONECT   16   14   18   17   67                                       
CONECT   17   11   16                                                 
CONECT   18   16   19   68   69                                       
CONECT   19   18   24                                                 
CONECT   20   15   23   23   21                                       
CONECT   20   22                                                      
CONECT   21   20   70                                                 
CONECT   22   20   71                                                 
CONECT   23   20   20                                                 
CONECT   24   19   42   42   25                                       
CONECT   24   40                                                      
CONECT   25   24   26                                                 
CONECT   26   25   27   41   41                                       
CONECT   26   39                                                      
CONECT   27   26   28                                                 
CONECT   28   27   29   72   73                                       
CONECT   29   28   43   30   44                                       
CONECT   30   29   31   51   74                                       
CONECT   31   30   45   45   32                                       
CONECT   32   31   33   75                                            
CONECT   33   32   34   76   77                                       
CONECT   34   33   35   78   79                                       
CONECT   35   34   36   46   46                                       
CONECT   36   35   37   80                                            
CONECT   37   36   38   81   82                                       
CONECT   38   37   47   83   84                                       
CONECT   39   26   85                                                 
CONECT   40   24   86                                                 
CONECT   41   26   26                                                 
CONECT   42   24   24                                                 
CONECT   43   29   87   88   89                                       
CONECT   44   29   90   91   92                                       
CONECT   45   31   31                                                 
CONECT   46   35   35                                                 
CONECT   47   38   48   93   94                                       
CONECT   48   47   49   95   96                                       
CONECT   49   48   52   52   53                                       
CONECT   49   53   50                                                 
CONECT   50   49   58   58   54                                       
CONECT   51   30   97                                                 
CONECT   52   49   49                                                 
CONECT   53   49   49                                                 
CONECT   54   50   55   55   98                                       
CONECT   55   54   54   56   99                                       
CONECT   56   55   57   57  100                                       
CONECT   57   56   56   58  101                                       
CONECT   58   50   50   57  102                                       
CONECT   59    2                                                      
CONECT   60    7                                                      
CONECT   61    7                                                      
CONECT   62    9                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   16                                                      
CONECT   68   18                                                      
CONECT   69   18                                                      
CONECT   70   21                                                      
CONECT   71   22                                                      
CONECT   72   28                                                      
CONECT   73   28                                                      
CONECT   74   30                                                      
CONECT   75   32                                                      
CONECT   76   33                                                      
CONECT   77   33                                                      
CONECT   78   34                                                      
CONECT   79   34                                                      
CONECT   80   36                                                      
CONECT   81   37                                                      
CONECT   82   37                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   39                                                      
CONECT   86   40                                                      
CONECT   87   43                                                      
CONECT   88   43                                                      
CONECT   89   43                                                      
CONECT   90   44                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
CONECT   95   48                                                      
CONECT   96   48                                                      
CONECT   97   51                                                      
CONECT   98   54                                                      
CONECT   99   55                                                      
CONECT  100   56                                                      
CONECT  101   57                                                      
CONECT  102   58                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
