COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -7.811  -7.244   1.117  1.00  0.00           N  
HETATM    2  O   UNL     1      -5.166   2.897   2.162  1.00  0.00           O  
HETATM    3  P   UNL     1      -4.643   2.844   0.779  1.00  0.00           P  
HETATM    4  C   UNL     1      13.534  -2.405   0.000  1.00  0.00           C  
HETATM    5  C   UNL     1      -7.154  -2.296  -0.320  1.00  0.00           C  
HETATM    6  S   UNL     1      12.640  -1.380  -1.121  1.00  0.00           S  
HETATM    7  C   UNL     1      -8.035  -6.690  -0.061  1.00  0.00           C  
HETATM    8  O   UNL     1      -5.107   4.162  -0.021  1.00  0.00           O  
HETATM    9  P   UNL     1      -1.905   3.493   1.710  1.00  0.00           P  
HETATM   10  C   UNL     1      14.752  -3.109  -0.454  1.00  0.00           C  
HETATM   11  C   UNL     1      -8.576  -1.682  -0.368  1.00  0.00           C  
HETATM   12  O   UNL     1      -9.453  -2.488  -1.158  1.00  0.00           O  
HETATM   13  C   UNL     1      11.307  -0.814  -0.035  1.00  0.00           C  
HETATM   14  N   UNL     1      -7.825  -5.411  -0.291  1.00  0.00           N  
HETATM   15  O   UNL     1      -3.035   2.776   0.815  1.00  0.00           O  
HETATM   16  C   UNL     1      15.199  -2.961  -1.767  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.317  -0.317  -1.049  1.00  0.00           C  
HETATM   18  O   UNL     1      -8.609  -0.391  -2.446  1.00  0.00           O  
HETATM   19  P   UNL     1      -9.697   0.553  -3.165  1.00  0.00           P  
HETATM   20  C   UNL     1      10.376   0.117  -0.813  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.370  -4.615   0.672  1.00  0.00           C  
HETATM   22  O   UNL     1      -1.786   2.740   3.128  1.00  0.00           O  
HETATM   23  C   UNL     1      16.337  -3.621  -2.184  1.00  0.00           C  
HETATM   24  C   UNL     1      -6.813  -0.062  -0.825  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.302  -1.162  -0.051  1.00  0.00           O  
HETATM   26  N   UNL     1       9.297   0.575   0.066  1.00  0.00           N  
HETATM   27  O   UNL     1      13.149  -2.532   1.146  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.277   4.908   1.934  1.00  0.00           O  
HETATM   29  C   UNL     1      17.033  -4.430  -1.303  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.615   1.250  -0.063  1.00  0.00           C  
HETATM   31  O   UNL     1      -5.219   1.536   0.037  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.116  -5.157   1.942  1.00  0.00           C  
HETATM   33  C   UNL     1       8.351   1.411  -0.407  1.00  0.00           C  
HETATM   34  O   UNL     1       8.393   1.783  -1.561  1.00  0.00           O  
HETATM   35  C   UNL     1      -7.357  -6.528   2.139  1.00  0.00           C  
HETATM   36  N   UNL     1      -7.125  -7.118   3.369  1.00  0.00           N  
HETATM   37  O   UNL     1      -0.491   3.425   0.945  1.00  0.00           O  
HETATM   38  C   UNL     1      16.595  -4.581   0.001  1.00  0.00           C  
HETATM   39  C   UNL     1       7.241   1.882   0.497  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.667  -4.147   2.725  1.00  0.00           N  
HETATM   41  O   UNL     1     -11.163   0.218  -2.589  1.00  0.00           O  
HETATM   42  C   UNL     1      15.462  -3.922   0.432  1.00  0.00           C  
HETATM   43  C   UNL     1       6.310   2.813  -0.282  1.00  0.00           C  
HETATM   44  C   UNL     1      -6.629  -3.046   2.032  1.00  0.00           C  
HETATM   45  O   UNL     1      -9.374   1.972  -2.896  1.00  0.00           O  
HETATM   46  N   UNL     1       5.231   3.271   0.597  1.00  0.00           N  
HETATM   47  N   UNL     1      -7.054  -3.283   0.759  1.00  0.00           N  
HETATM   48  O   UNL     1      -9.671   0.288  -4.753  1.00  0.00           O  
HETATM   49  C   UNL     1       4.285   4.107   0.124  1.00  0.00           C  
HETATM   50  O   UNL     1       4.378   4.553  -1.000  1.00  0.00           O  
HETATM   51  C   UNL     1       3.113   4.486   0.992  1.00  0.00           C  
HETATM   52  O   UNL     1       3.360   4.069   2.336  1.00  0.00           O  
HETATM   53  C   UNL     1       1.849   3.801   0.469  1.00  0.00           C  
HETATM   54  C   UNL     1       0.690   4.065   1.433  1.00  0.00           C  
HETATM   55  C   UNL     1       1.501   4.359  -0.912  1.00  0.00           C  
HETATM   56  C   UNL     1       2.092   2.294   0.365  1.00  0.00           C  
HETATM   57  H   UNL     1      -6.898  -2.749  -1.278  1.00  0.00           H  
HETATM   58  H   UNL     1      -8.405  -7.309  -0.865  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.799   4.195  -0.937  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.975  -1.547   0.637  1.00  0.00           H  
HETATM   61  H   UNL     1      -9.575  -3.385  -0.819  1.00  0.00           H  
HETATM   62  H   UNL     1      10.743  -1.674   0.326  1.00  0.00           H  
HETATM   63  H   UNL     1      11.733  -0.277   0.813  1.00  0.00           H  
HETATM   64  H   UNL     1      14.656  -2.331  -2.456  1.00  0.00           H  
HETATM   65  H   UNL     1      -8.911   0.465  -0.575  1.00  0.00           H  
HETATM   66  H   UNL     1      10.941   0.977  -1.174  1.00  0.00           H  
HETATM   67  H   UNL     1       9.951  -0.420  -1.661  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.544   1.806   3.058  1.00  0.00           H  
HETATM   69  H   UNL     1      16.684  -3.507  -3.200  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.298  -0.017  -1.785  1.00  0.00           H  
HETATM   71  H   UNL     1       9.264   0.277   0.988  1.00  0.00           H  
HETATM   72  H   UNL     1      17.923  -4.945  -1.634  1.00  0.00           H  
HETATM   73  H   UNL     1      -7.115   2.059  -0.597  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.040   1.157   0.936  1.00  0.00           H  
HETATM   75  H   UNL     1      -6.793  -6.585   4.108  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.294  -8.065   3.493  1.00  0.00           H  
HETATM   77  H   UNL     1      17.143  -5.214   0.683  1.00  0.00           H  
HETATM   78  H   UNL     1       6.677   1.022   0.857  1.00  0.00           H  
HETATM   79  H   UNL     1       7.667   2.419   1.345  1.00  0.00           H  
HETATM   80  H   UNL     1     -11.441  -0.697  -2.730  1.00  0.00           H  
HETATM   81  H   UNL     1      15.123  -4.037   1.451  1.00  0.00           H  
HETATM   82  H   UNL     1       6.875   3.673  -0.642  1.00  0.00           H  
HETATM   83  H   UNL     1       5.885   2.276  -1.130  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.310  -2.086   2.410  1.00  0.00           H  
HETATM   85  H   UNL     1       5.198   2.973   1.520  1.00  0.00           H  
HETATM   86  H   UNL     1     -10.303   0.824  -5.251  1.00  0.00           H  
HETATM   87  H   UNL     1       2.977   5.567   0.966  1.00  0.00           H  
HETATM   88  H   UNL     1       3.491   3.115   2.434  1.00  0.00           H  
HETATM   89  H   UNL     1       0.517   5.139   1.507  1.00  0.00           H  
HETATM   90  H   UNL     1       0.938   3.668   2.417  1.00  0.00           H  
HETATM   91  H   UNL     1       2.291   4.102  -1.617  1.00  0.00           H  
HETATM   92  H   UNL     1       0.558   3.928  -1.251  1.00  0.00           H  
HETATM   93  H   UNL     1       1.404   5.443  -0.853  1.00  0.00           H  
HETATM   94  H   UNL     1       2.340   1.897   1.349  1.00  0.00           H  
HETATM   95  H   UNL     1       1.191   1.806  -0.008  1.00  0.00           H  
HETATM   96  H   UNL     1       2.917   2.106  -0.322  1.00  0.00           H  
CONECT    1   35   35    7                                            
CONECT    2    3    3                                                 
CONECT    3    2    2    8   15                                       
CONECT    3   31                                                      
CONECT    4    6   27   27   10                                       
CONECT    5   11   25   47   57                                       
CONECT    6    4   13                                                 
CONECT    7    1   14   14   58                                       
CONECT    8    3   59                                                 
CONECT    9   28   28   37   22                                       
CONECT    9   15                                                      
CONECT   10    4   16   16   42                                       
CONECT   11    5   17   12   60                                       
CONECT   12   11   61                                                 
CONECT   13    6   20   62   63                                       
CONECT   14    7    7   21                                            
CONECT   15    3    9                                                 
CONECT   16   10   10   23   64                                       
CONECT   17   11   24   18   65                                       
CONECT   18   17   19                                                 
CONECT   19   18   45   45   48                                       
CONECT   19   41                                                      
CONECT   20   13   26   66   67                                       
CONECT   21   14   47   32   32                                       
CONECT   22    9   68                                                 
CONECT   23   16   29   29   69                                       
CONECT   24   17   30   25   70                                       
CONECT   25    5   24                                                 
CONECT   26   20   33   71                                            
CONECT   27    4    4                                                 
CONECT   28    9    9                                                 
CONECT   29   23   23   38   72                                       
CONECT   30   24   31   73   74                                       
CONECT   31    3   30                                                 
CONECT   32   21   21   40   35                                       
CONECT   33   26   39   34   34                                       
CONECT   34   33   33                                                 
CONECT   35    1    1   32   36                                       
CONECT   36   35   75   76                                            
CONECT   37    9   54                                                 
CONECT   38   29   42   42   77                                       
CONECT   39   33   43   78   79                                       
CONECT   40   32   44   44                                            
CONECT   41   19   80                                                 
CONECT   42   10   38   38   81                                       
CONECT   43   39   46   82   83                                       
CONECT   44   40   40   47   84                                       
CONECT   45   19   19                                                 
CONECT   46   43   49   85                                            
CONECT   47    5   21   44                                            
CONECT   48   19   86                                                 
CONECT   49   46   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   53   52   87                                       
CONECT   52   51   88                                                 
CONECT   53   51   56   54   55                                       
CONECT   54   37   53   89   90                                       
CONECT   55   53   91   92   93                                       
CONECT   56   53   94   95   96                                       
CONECT   57    5                                                      
CONECT   58    7                                                      
CONECT   59    8                                                      
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   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   26                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   38                                                      
CONECT   78   39                                                      
CONECT   79   39                                                      
CONECT   80   41                                                      
CONECT   81   42                                                      
CONECT   82   43                                                      
CONECT   83   43                                                      
CONECT   84   44                                                      
CONECT   85   46                                                      
CONECT   86   48                                                      
CONECT   87   51                                                      
CONECT   88   52                                                      
CONECT   89   54                                                      
CONECT   90   54                                                      
CONECT   91   55                                                      
CONECT   92   55                                                      
CONECT   93   55                                                      
CONECT   94   56                                                      
CONECT   95   56                                                      
CONECT   96   56                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
