COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       6.912  -7.576   1.190  1.00  0.00           N  
HETATM    2  O   UNL     1       4.139   1.968  -2.818  1.00  0.00           O  
HETATM    3  P   UNL     1       4.462   2.499  -1.333  1.00  0.00           P  
HETATM    4  C   UNL     1     -13.563  -1.721  -0.869  1.00  0.00           C  
HETATM    5  C   UNL     1       7.056  -2.431   0.487  1.00  0.00           C  
HETATM    6  S   UNL     1     -12.546  -1.408   0.535  1.00  0.00           S  
HETATM    7  C   UNL     1       7.410  -6.647   1.986  1.00  0.00           C  
HETATM    8  O   UNL     1       5.295   3.720  -1.415  1.00  0.00           O  
HETATM    9  P   UNL     1       2.019   4.045  -0.676  1.00  0.00           P  
HETATM   10  C   UNL     1     -14.783  -2.543  -0.729  1.00  0.00           C  
HETATM   11  C   UNL     1       8.505  -2.100   0.067  1.00  0.00           C  
HETATM   12  O   UNL     1       9.417  -2.419   1.120  1.00  0.00           O  
HETATM   13  C   UNL     1     -11.259  -0.391  -0.229  1.00  0.00           C  
HETATM   14  N   UNL     1       7.381  -5.366   1.683  1.00  0.00           N  
HETATM   15  O   UNL     1       3.083   2.841  -0.574  1.00  0.00           O  
HETATM   16  C   UNL     1     -15.160  -3.099   0.589  1.00  0.00           C  
HETATM   17  C   UNL     1       8.482  -0.577  -0.192  1.00  0.00           C  
HETATM   18  O   UNL     1       9.379   0.095   0.695  1.00  0.00           O  
HETATM   19  P   UNL     1      10.602   1.007   0.181  1.00  0.00           P  
HETATM   20  C   UNL     1     -10.231   0.014   0.830  1.00  0.00           C  
HETATM   21  C   UNL     1       6.838  -4.952   0.543  1.00  0.00           C  
HETATM   22  O   UNL     1       1.736   4.334  -2.099  1.00  0.00           O  
HETATM   23  C   UNL     1     -16.001  -4.121   0.654  1.00  0.00           C  
HETATM   24  C   UNL     1       7.022  -0.168   0.102  1.00  0.00           C  
HETATM   25  O   UNL     1       6.254  -1.376  -0.089  1.00  0.00           O  
HETATM   26  N   UNL     1      -9.190   0.837   0.211  1.00  0.00           N  
HETATM   27  O   UNL     1     -13.260  -1.262  -1.954  1.00  0.00           O  
HETATM   28  O   UNL     1       2.627   5.359   0.028  1.00  0.00           O  
HETATM   29  C   UNL     1     -16.572  -4.719  -0.604  1.00  0.00           C  
HETATM   30  C   UNL     1       6.564   0.914  -0.877  1.00  0.00           C  
HETATM   31  O   UNL     1       5.256   1.361  -0.516  1.00  0.00           O  
HETATM   32  C   UNL     1       6.294  -5.902  -0.339  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.173   1.311   0.958  1.00  0.00           C  
HETATM   34  O   UNL     1      -8.120   1.056   2.142  1.00  0.00           O  
HETATM   35  C   UNL     1       6.349  -7.257   0.029  1.00  0.00           C  
HETATM   36  N   UNL     1       5.830  -8.237  -0.799  1.00  0.00           N  
HETATM   37  O   UNL     1       0.656   3.620   0.067  1.00  0.00           O  
HETATM   38  C   UNL     1     -16.804  -3.626  -1.646  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.101   2.157   0.321  1.00  0.00           C  
HETATM   40  N   UNL     1       5.813  -5.224  -1.409  1.00  0.00           N  
HETATM   41  O   UNL     1      10.089   2.047  -0.738  1.00  0.00           O  
HETATM   42  C   UNL     1     -15.563  -2.786  -1.797  1.00  0.00           C  
HETATM   43  C   UNL     1      -6.074   2.562   1.380  1.00  0.00           C  
HETATM   44  C   UNL     1       6.022  -3.950  -1.244  1.00  0.00           C  
HETATM   45  O   UNL     1      11.316   1.708   1.442  1.00  0.00           O  
HETATM   46  N   UNL     1      -5.032   3.385   0.761  1.00  0.00           N  
HETATM   47  N   UNL     1       6.652  -3.731  -0.055  1.00  0.00           N  
HETATM   48  O   UNL     1      11.669   0.084  -0.596  1.00  0.00           O  
HETATM   49  C   UNL     1      -4.015   3.859   1.508  1.00  0.00           C  
HETATM   50  O   UNL     1      -4.011   3.683   2.708  1.00  0.00           O  
HETATM   51  C   UNL     1      -2.883   4.607   0.852  1.00  0.00           C  
HETATM   52  O   UNL     1      -3.239   4.922  -0.496  1.00  0.00           O  
HETATM   53  C   UNL     1      -1.625   3.736   0.857  1.00  0.00           C  
HETATM   54  C   UNL     1      -0.519   4.433   0.062  1.00  0.00           C  
HETATM   55  C   UNL     1      -1.160   3.522   2.299  1.00  0.00           C  
HETATM   56  C   UNL     1      -1.939   2.383   0.216  1.00  0.00           C  
HETATM   57  H   UNL     1       3.596   1.169  -2.841  1.00  0.00           H  
HETATM   58  H   UNL     1       6.963  -2.428   1.573  1.00  0.00           H  
HETATM   59  H   UNL     1       7.859  -6.950   2.921  1.00  0.00           H  
HETATM   60  H   UNL     1       8.771  -2.638  -0.843  1.00  0.00           H  
HETATM   61  H   UNL     1       9.426  -3.355   1.363  1.00  0.00           H  
HETATM   62  H   UNL     1     -10.764  -0.961  -1.016  1.00  0.00           H  
HETATM   63  H   UNL     1     -11.710   0.504  -0.659  1.00  0.00           H  
HETATM   64  H   UNL     1     -14.750  -2.675   1.493  1.00  0.00           H  
HETATM   65  H   UNL     1       8.738  -0.362  -1.230  1.00  0.00           H  
HETATM   66  H   UNL     1     -10.726   0.584   1.616  1.00  0.00           H  
HETATM   67  H   UNL     1      -9.781  -0.881   1.259  1.00  0.00           H  
HETATM   68  H   UNL     1     -16.279  -4.528   1.615  1.00  0.00           H  
HETATM   69  H   UNL     1       6.926   0.184   1.130  1.00  0.00           H  
HETATM   70  H   UNL     1      -9.232   1.041  -0.737  1.00  0.00           H  
HETATM   71  H   UNL     1       2.837   5.242   0.965  1.00  0.00           H  
HETATM   72  H   UNL     1     -15.874  -5.456  -1.003  1.00  0.00           H  
HETATM   73  H   UNL     1     -17.519  -5.207  -0.375  1.00  0.00           H  
HETATM   74  H   UNL     1       7.258   1.755  -0.840  1.00  0.00           H  
HETATM   75  H   UNL     1       6.543   0.505  -1.887  1.00  0.00           H  
HETATM   76  H   UNL     1       5.874  -9.169  -0.534  1.00  0.00           H  
HETATM   77  H   UNL     1       5.422  -7.992  -1.644  1.00  0.00           H  
HETATM   78  H   UNL     1     -17.051  -4.085  -2.603  1.00  0.00           H  
HETATM   79  H   UNL     1     -17.629  -2.990  -1.326  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.607   1.587  -0.465  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.552   3.052  -0.108  1.00  0.00           H  
HETATM   82  H   UNL     1     -15.298  -2.381  -2.763  1.00  0.00           H  
HETATM   83  H   UNL     1      -6.568   3.132   2.167  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.623   1.667   1.809  1.00  0.00           H  
HETATM   85  H   UNL     1       5.739  -3.179  -1.945  1.00  0.00           H  
HETATM   86  H   UNL     1      12.064   2.274   1.206  1.00  0.00           H  
HETATM   87  H   UNL     1      -5.074   3.589  -0.186  1.00  0.00           H  
HETATM   88  H   UNL     1      12.048  -0.621  -0.054  1.00  0.00           H  
HETATM   89  H   UNL     1      -2.690   5.528   1.402  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.425   4.148  -1.045  1.00  0.00           H  
HETATM   91  H   UNL     1      -0.296   5.397   0.519  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.851   4.586  -0.965  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.915   2.957   2.845  1.00  0.00           H  
HETATM   94  H   UNL     1      -0.221   2.968   2.299  1.00  0.00           H  
HETATM   95  H   UNL     1      -1.011   4.489   2.780  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.271   2.536  -0.811  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.043   1.763   0.220  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.727   1.887   0.783  1.00  0.00           H  
CONECT    1    7   35   35                                            
CONECT    2    3   57                                                 
CONECT    3    8    8   31    2                                       
CONECT    3   15                                                      
CONECT    4    6   10   27   27                                       
CONECT    5   11   25   47   58                                       
CONECT    6   13    4                                                 
CONECT    7   14   14    1   59                                       
CONECT    8    3    3                                                 
CONECT    9   22   22   15   28                                       
CONECT    9   37                                                      
CONECT   10   16    4   42   42                                       
CONECT   11   12   17    5   60                                       
CONECT   12   11   61                                                 
CONECT   13   20    6   62   63                                       
CONECT   14    7    7   21                                            
CONECT   15    3    9                                                 
CONECT   16   23   23   10   64                                       
CONECT   17   18   11   24   65                                       
CONECT   18   19   17                                                 
CONECT   19   48   45   41   41                                       
CONECT   19   18                                                      
CONECT   20   26   13   66   67                                       
CONECT   21   14   47   32   32                                       
CONECT   22    9    9                                                 
CONECT   23   16   16   29   68                                       
CONECT   24   17   25   30   69                                       
CONECT   25    5   24                                                 
CONECT   26   33   20   70                                            
CONECT   27    4    4                                                 
CONECT   28    9   71                                                 
CONECT   29   23   38   72   73                                       
CONECT   30   24   31   74   75                                       
CONECT   31   30    3                                                 
CONECT   32   21   21   35   40                                       
CONECT   33   34   34   39   26                                       
CONECT   34   33   33                                                 
CONECT   35    1    1   32   36                                       
CONECT   36   35   76   77                                            
CONECT   37    9   54                                                 
CONECT   38   29   42   78   79                                       
CONECT   39   33   43   80   81                                       
CONECT   40   44   44   32                                            
CONECT   41   19   19                                                 
CONECT   42   10   10   38   82                                       
CONECT   43   39   46   83   84                                       
CONECT   44   47   40   40   85                                       
CONECT   45   19   86                                                 
CONECT   46   49   43   87                                            
CONECT   47    5   21   44                                            
CONECT   48   19   88                                                 
CONECT   49   50   50   51   46                                       
CONECT   50   49   49                                                 
CONECT   51   53   49   52   89                                       
CONECT   52   51   90                                                 
CONECT   53   54   56   55   51                                       
CONECT   54   37   53   91   92                                       
CONECT   55   53   93   94   95                                       
CONECT   56   53   96   97   98                                       
CONECT   57    2                                                      
CONECT   58    5                                                      
CONECT   59    7                                                      
CONECT   60   11                                                      
CONECT   61   12                                                      
CONECT   62   13                                                      
CONECT   63   13                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   23                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   38                                                      
CONECT   79   38                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   42                                                      
CONECT   83   43                                                      
CONECT   84   43                                                      
CONECT   85   44                                                      
CONECT   86   45                                                      
CONECT   87   46                                                      
CONECT   88   48                                                      
CONECT   89   51                                                      
CONECT   90   52                                                      
CONECT   91   54                                                      
CONECT   92   54                                                      
CONECT   93   55                                                      
CONECT   94   55                                                      
CONECT   95   55                                                      
CONECT   96   56                                                      
CONECT   97   56                                                      
CONECT   98   56                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
