COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      11.796  -4.280  -1.927  1.00  0.00           O  
HETATM    2  P   UNL     1      11.419  -3.360  -0.661  1.00  0.00           P  
HETATM    3  O   UNL     1      12.502  -3.435   0.344  1.00  0.00           O  
HETATM    4  O   UNL     1      11.238  -1.834  -1.142  1.00  0.00           O  
HETATM    5  C   UNL     1      11.003  -0.755  -0.235  1.00  0.00           C  
HETATM    6  C   UNL     1      10.880   0.553  -1.019  1.00  0.00           C  
HETATM    7  C   UNL     1      12.177   0.809  -1.790  1.00  0.00           C  
HETATM    8  C   UNL     1       9.713   0.450  -2.003  1.00  0.00           C  
HETATM    9  C   UNL     1      10.628   1.709  -0.048  1.00  0.00           C  
HETATM   10  O   UNL     1      11.772   1.885   0.789  1.00  0.00           O  
HETATM   11  C   UNL     1       9.425   1.395   0.804  1.00  0.00           C  
HETATM   12  O   UNL     1       9.573   1.043   1.955  1.00  0.00           O  
HETATM   13  N   UNL     1       8.186   1.506   0.287  1.00  0.00           N  
HETATM   14  C   UNL     1       7.014   1.310   1.144  1.00  0.00           C  
HETATM   15  C   UNL     1       5.740   1.490   0.316  1.00  0.00           C  
HETATM   16  C   UNL     1       4.535   1.289   1.198  1.00  0.00           C  
HETATM   17  O   UNL     1       4.681   1.027   2.374  1.00  0.00           O  
HETATM   18  N   UNL     1       3.295   1.400   0.681  1.00  0.00           N  
HETATM   19  C   UNL     1       2.124   1.204   1.539  1.00  0.00           C  
HETATM   20  C   UNL     1       0.850   1.384   0.711  1.00  0.00           C  
HETATM   21  S   UNL     1      -0.598   1.142   1.770  1.00  0.00           S  
HETATM   22  C   UNL     1      -1.848   1.392   0.627  1.00  0.00           C  
HETATM   23  O   UNL     1      -1.572   1.650  -0.526  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.289   1.292   1.054  1.00  0.00           C  
HETATM   25  C   UNL     1      -4.197   1.557  -0.150  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.661   1.455   0.283  1.00  0.00           C  
HETATM   27  C   UNL     1      -6.568   1.719  -0.920  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.032   1.617  -0.487  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.939   1.882  -1.690  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.403   1.780  -1.258  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.297   2.041  -2.443  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.236   1.184  -2.756  1.00  0.00           C  
HETATM   33  C   UNL     1     -12.530   0.021  -1.843  1.00  0.00           C  
HETATM   34  C   UNL     1     -14.025  -0.008  -1.518  1.00  0.00           C  
HETATM   35  C   UNL     1     -14.323  -1.188  -0.592  1.00  0.00           C  
HETATM   36  C   UNL     1     -15.817  -1.217  -0.267  1.00  0.00           C  
HETATM   37  C   UNL     1     -16.115  -2.398   0.660  1.00  0.00           C  
HETATM   38  C   UNL     1     -17.610  -2.427   0.984  1.00  0.00           C  
HETATM   39  H   UNL     1      10.079  -0.937   0.315  1.00  0.00           H  
HETATM   40  H   UNL     1      11.834  -0.681   0.466  1.00  0.00           H  
HETATM   41  H   UNL     1      12.399  -0.051  -2.422  1.00  0.00           H  
HETATM   42  H   UNL     1      12.060   1.696  -2.413  1.00  0.00           H  
HETATM   43  H   UNL     1      12.994   0.964  -1.086  1.00  0.00           H  
HETATM   44  H   UNL     1       8.789   0.273  -1.454  1.00  0.00           H  
HETATM   45  H   UNL     1       9.629   1.381  -2.565  1.00  0.00           H  
HETATM   46  H   UNL     1       9.891  -0.375  -2.692  1.00  0.00           H  
HETATM   47  H   UNL     1      10.446   2.624  -0.612  1.00  0.00           H  
HETATM   48  H   UNL     1      11.994   1.109   1.321  1.00  0.00           H  
HETATM   49  H   UNL     1       8.069   1.715  -0.653  1.00  0.00           H  
HETATM   50  H   UNL     1       7.035   0.305   1.565  1.00  0.00           H  
HETATM   51  H   UNL     1       7.029   2.042   1.952  1.00  0.00           H  
HETATM   52  H   UNL     1       5.719   2.495  -0.104  1.00  0.00           H  
HETATM   53  H   UNL     1       5.726   0.758  -0.491  1.00  0.00           H  
HETATM   54  H   UNL     1       3.179   1.609  -0.259  1.00  0.00           H  
HETATM   55  H   UNL     1       2.145   0.198   1.959  1.00  0.00           H  
HETATM   56  H   UNL     1       2.138   1.936   2.346  1.00  0.00           H  
HETATM   57  H   UNL     1       0.829   2.389   0.290  1.00  0.00           H  
HETATM   58  H   UNL     1       0.835   0.652  -0.097  1.00  0.00           H  
HETATM   59  H   UNL     1      -3.485   0.292   1.443  1.00  0.00           H  
HETATM   60  H   UNL     1      -3.491   2.030   1.830  1.00  0.00           H  
HETATM   61  H   UNL     1      -4.002   2.556  -0.539  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.995   0.819  -0.926  1.00  0.00           H  
HETATM   63  H   UNL     1      -5.856   0.455   0.672  1.00  0.00           H  
HETATM   64  H   UNL     1      -5.862   2.193   1.060  1.00  0.00           H  
HETATM   65  H   UNL     1      -6.373   2.719  -1.309  1.00  0.00           H  
HETATM   66  H   UNL     1      -6.366   0.982  -1.696  1.00  0.00           H  
HETATM   67  H   UNL     1      -8.227   0.618  -0.098  1.00  0.00           H  
HETATM   68  H   UNL     1      -8.233   2.355   0.289  1.00  0.00           H  
HETATM   69  H   UNL     1      -8.744   2.882  -2.079  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.738   1.144  -2.467  1.00  0.00           H  
HETATM   71  H   UNL     1     -10.598   0.781  -0.868  1.00  0.00           H  
HETATM   72  H   UNL     1     -10.605   2.518  -0.481  1.00  0.00           H  
HETATM   73  H   UNL     1     -11.162   2.935  -3.034  1.00  0.00           H  
HETATM   74  H   UNL     1     -12.801   1.311  -3.668  1.00  0.00           H  
HETATM   75  H   UNL     1     -12.247  -0.909  -2.337  1.00  0.00           H  
HETATM   76  H   UNL     1     -11.959   0.130  -0.921  1.00  0.00           H  
HETATM   77  H   UNL     1     -14.307   0.922  -1.024  1.00  0.00           H  
HETATM   78  H   UNL     1     -14.595  -0.117  -2.441  1.00  0.00           H  
HETATM   79  H   UNL     1     -14.040  -2.118  -1.086  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.752  -1.079   0.331  1.00  0.00           H  
HETATM   81  H   UNL     1     -16.100  -0.287   0.227  1.00  0.00           H  
HETATM   82  H   UNL     1     -16.388  -1.326  -1.189  1.00  0.00           H  
HETATM   83  H   UNL     1     -15.833  -3.328   0.166  1.00  0.00           H  
HETATM   84  H   UNL     1     -15.545  -2.289   1.582  1.00  0.00           H  
HETATM   85  H   UNL     1     -17.892  -1.497   1.479  1.00  0.00           H  
HETATM   86  H   UNL     1     -18.180  -2.536   0.062  1.00  0.00           H  
HETATM   87  C   UNL     1     -17.908  -3.607   1.911  1.00  0.00           C  
HETATM   88  C   UNL     1     -19.403  -3.636   2.236  1.00  0.00           C  
HETATM   89  H   UNL     1     -17.625  -4.537   1.417  1.00  0.00           H  
HETATM   90  H   UNL     1     -17.338  -3.498   2.833  1.00  0.00           H  
HETATM   91  H   UNL     1     -19.685  -2.706   2.730  1.00  0.00           H  
HETATM   92  H   UNL     1     -19.973  -3.745   1.313  1.00  0.00           H  
HETATM   93  H   UNL     1     -19.615  -4.477   2.896  1.00  0.00           H  
HETATM   94  O   UNL     1      10.043  -3.883  -0.008  1.00  0.00           O  
HETATM   95  H   UNL     1       9.288  -3.861  -0.612  1.00  0.00           H  
HETATM   96  H   UNL     1      11.920  -5.214  -1.711  1.00  0.00           H  
CONECT    1    2   96                                                 
CONECT    2    1    3    3    4                                       
CONECT    2   94                                                      
CONECT    3    2    2                                                 
CONECT    4    2    5                                                 
CONECT    5    4    6   39   40                                       
CONECT    6    5    7    8    9                                       
CONECT    7    6   41   42   43                                       
CONECT    8    6   44   45   46                                       
CONECT    9    6   10   11   47                                       
CONECT   10    9   48                                                 
CONECT   11    9   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   49                                            
CONECT   14   13   15   50   51                                       
CONECT   15   14   16   52   53                                       
CONECT   16   15   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   54                                            
CONECT   19   18   20   55   56                                       
CONECT   20   19   21   57   58                                       
CONECT   21   20   22                                                 
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   59   60                                       
CONECT   25   24   26   61   62                                       
CONECT   26   25   27   63   64                                       
CONECT   27   26   28   65   66                                       
CONECT   28   27   29   67   68                                       
CONECT   29   28   30   69   70                                       
CONECT   30   29   31   71   72                                       
CONECT   31   30   32   32   73                                       
CONECT   32   31   31   33   74                                       
CONECT   33   32   34   75   76                                       
CONECT   34   33   35   77   78                                       
CONECT   35   34   36   79   80                                       
CONECT   36   35   37   81   82                                       
CONECT   37   36   38   83   84                                       
CONECT   38   37   85   86   87                                       
CONECT   39    5                                                      
CONECT   40    5                                                      
CONECT   41    7                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   14                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   18                                                      
CONECT   55   19                                                      
CONECT   56   19                                                      
CONECT   57   20                                                      
CONECT   58   20                                                      
CONECT   59   24                                                      
CONECT   60   24                                                      
CONECT   61   25                                                      
CONECT   62   25                                                      
CONECT   63   26                                                      
CONECT   64   26                                                      
CONECT   65   27                                                      
CONECT   66   27                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   30                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   33                                                      
CONECT   76   33                                                      
CONECT   77   34                                                      
CONECT   78   34                                                      
CONECT   79   35                                                      
CONECT   80   35                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   37                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   38   88   89   90                                       
CONECT   88   87   91   92   93                                       
CONECT   89   87                                                      
CONECT   90   87                                                      
CONECT   91   88                                                      
CONECT   92   88                                                      
CONECT   93   88                                                      
CONECT   94    2   95                                                 
CONECT   95   94                                                      
CONECT   96    1                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
