COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       5.790   2.497  -1.209  1.00  0.00           P  
HETATM    2  O   UNL     1       5.867   4.006  -0.652  1.00  0.00           O  
HETATM    3  O   UNL     1       6.377   2.442  -2.566  1.00  0.00           O  
HETATM    4  O   UNL     1       6.613   1.521  -0.228  1.00  0.00           O  
HETATM    5  C   UNL     1       8.027   1.614  -0.044  1.00  0.00           C  
HETATM    6  C   UNL     1       8.484   0.543   0.949  1.00  0.00           C  
HETATM    7  O   UNL     1       8.367  -0.771   0.360  1.00  0.00           O  
HETATM    8  C   UNL     1       9.988   0.704   1.259  1.00  0.00           C  
HETATM    9  O   UNL     1      10.174   1.408   2.489  1.00  0.00           O  
HETATM   10  C   UNL     1      10.504  -0.747   1.383  1.00  0.00           C  
HETATM   11  O   UNL     1      11.026  -0.984   2.692  1.00  0.00           O  
HETATM   12  C   UNL     1       9.249  -1.614   1.133  1.00  0.00           C  
HETATM   13  N   UNL     1       9.602  -2.815   0.372  1.00  0.00           N  
HETATM   14  C   UNL     1       9.578  -2.947  -0.985  1.00  0.00           C  
HETATM   15  N   UNL     1       9.953  -4.147  -1.322  1.00  0.00           N  
HETATM   16  C   UNL     1      10.240  -4.859  -0.206  1.00  0.00           C  
HETATM   17  C   UNL     1      10.684  -6.169   0.043  1.00  0.00           C  
HETATM   18  N   UNL     1      10.914  -7.049  -1.000  1.00  0.00           N  
HETATM   19  N   UNL     1      10.876  -6.543   1.304  1.00  0.00           N  
HETATM   20  C   UNL     1      10.659  -5.711   2.305  1.00  0.00           C  
HETATM   21  N   UNL     1      10.244  -4.475   2.120  1.00  0.00           N  
HETATM   22  C   UNL     1      10.024  -4.012   0.894  1.00  0.00           C  
HETATM   23  O   UNL     1       4.252   2.025  -1.269  1.00  0.00           O  
HETATM   24  P   UNL     1       3.046   2.274  -2.306  1.00  0.00           P  
HETATM   25  O   UNL     1       3.208   1.283  -3.565  1.00  0.00           O  
HETATM   26  O   UNL     1       3.080   3.677  -2.775  1.00  0.00           O  
HETATM   27  O   UNL     1       1.641   1.986  -1.575  1.00  0.00           O  
HETATM   28  C   UNL     1       0.377   2.218  -2.199  1.00  0.00           C  
HETATM   29  C   UNL     1      -0.747   1.841  -1.231  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.802   2.781  -0.135  1.00  0.00           O  
HETATM   31  C   UNL     1      -2.120   1.965  -1.927  1.00  0.00           C  
HETATM   32  O   UNL     1      -2.571   0.685  -2.377  1.00  0.00           O  
HETATM   33  C   UNL     1      -3.053   2.509  -0.822  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.108   1.583  -0.556  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.133   2.650   0.411  1.00  0.00           C  
HETATM   36  N   UNL     1      -2.489   3.846   1.179  1.00  0.00           N1+
HETATM   37  C   UNL     1      -3.175   3.709   2.294  1.00  0.00           C  
HETATM   38  C   UNL     1      -3.530   4.827   3.050  1.00  0.00           C  
HETATM   39  C   UNL     1      -4.301   4.673   4.303  1.00  0.00           C  
HETATM   40  O   UNL     1      -4.630   3.566   4.681  1.00  0.00           O  
HETATM   41  N   UNL     1      -4.638   5.761   5.024  1.00  0.00           N  
HETATM   42  C   UNL     1      -3.144   6.096   2.603  1.00  0.00           C  
HETATM   43  C   UNL     1      -2.424   6.186   1.425  1.00  0.00           C  
HETATM   44  C   UNL     1      -2.107   5.029   0.736  1.00  0.00           C  
HETATM   45  B   UNL     1      -5.290   1.895  -1.168  1.00  0.00           B  
HETATM   46  O   UNL     1      -5.105   2.004  -2.528  1.00  0.00           O  
HETATM   47  C   UNL     1      -6.338   1.577  -3.132  1.00  0.00           C  
HETATM   48  C   UNL     1      -6.949   0.565  -2.192  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.320   0.741  -0.967  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.667  -0.043   0.109  1.00  0.00           C  
HETATM   51  C   UNL     1      -7.648  -1.015  -0.034  1.00  0.00           C  
HETATM   52  C   UNL     1      -8.275  -1.191  -1.260  1.00  0.00           C  
HETATM   53  C   UNL     1      -7.923  -0.398  -2.337  1.00  0.00           C  
HETATM   54  O   UNL     1      -7.995  -1.794   1.024  1.00  0.00           O  
HETATM   55  C   UNL     1      -9.002  -2.690   0.854  1.00  0.00           C  
HETATM   56  C   UNL     1      -8.756  -3.898   0.215  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.781  -4.808   0.044  1.00  0.00           C  
HETATM   58  C   UNL     1     -11.051  -4.516   0.507  1.00  0.00           C  
HETATM   59  C   UNL     1     -11.298  -3.314   1.143  1.00  0.00           C  
HETATM   60  C   UNL     1     -10.276  -2.403   1.323  1.00  0.00           C  
HETATM   61  C   UNL     1     -12.167  -5.511   0.319  1.00  0.00           C  
HETATM   62  F   UNL     1     -11.938  -6.254  -0.844  1.00  0.00           F  
HETATM   63  F   UNL     1     -12.216  -6.372   1.420  1.00  0.00           F  
HETATM   64  F   UNL     1     -13.384  -4.830   0.204  1.00  0.00           F  
HETATM   65  O   UNL     1      -5.789   3.064  -0.664  1.00  0.00           O  
HETATM   66  H   UNL     1       5.499   4.117   0.236  1.00  0.00           H  
HETATM   67  H   UNL     1       8.528   1.461  -0.999  1.00  0.00           H  
HETATM   68  H   UNL     1       8.279   2.601   0.345  1.00  0.00           H  
HETATM   69  H   UNL     1       7.898   0.603   1.866  1.00  0.00           H  
HETATM   70  H   UNL     1      10.493   1.222   0.444  1.00  0.00           H  
HETATM   71  H   UNL     1      11.100   1.537   2.733  1.00  0.00           H  
HETATM   72  H   UNL     1      11.264  -0.949   0.628  1.00  0.00           H  
HETATM   73  H   UNL     1      11.779  -0.422   2.922  1.00  0.00           H  
HETATM   74  H   UNL     1       8.782  -1.886   2.079  1.00  0.00           H  
HETATM   75  H   UNL     1       9.290  -2.170  -1.678  1.00  0.00           H  
HETATM   76  H   UNL     1      10.770  -6.764  -1.916  1.00  0.00           H  
HETATM   77  H   UNL     1      11.220  -7.951  -0.815  1.00  0.00           H  
HETATM   78  H   UNL     1      10.829  -6.056   3.315  1.00  0.00           H  
HETATM   79  H   UNL     1       3.195   0.345  -3.332  1.00  0.00           H  
HETATM   80  H   UNL     1       0.290   3.272  -2.464  1.00  0.00           H  
HETATM   81  H   UNL     1       0.299   1.609  -3.100  1.00  0.00           H  
HETATM   82  H   UNL     1      -0.600   0.828  -0.857  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.065   2.666  -2.759  1.00  0.00           H  
HETATM   84  H   UNL     1      -1.988   0.270  -3.028  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.461   3.478  -1.110  1.00  0.00           H  
HETATM   86  H   UNL     1      -2.200   1.763   1.040  1.00  0.00           H  
HETATM   87  H   UNL     1      -3.466   2.724   2.626  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.375   6.644   4.722  1.00  0.00           H  
HETATM   89  H   UNL     1      -5.143   5.660   5.846  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.402   6.983   3.163  1.00  0.00           H  
HETATM   91  H   UNL     1      -2.109   7.148   1.049  1.00  0.00           H  
HETATM   92  H   UNL     1      -1.545   5.096  -0.184  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.009   2.427  -3.254  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.140   1.115  -4.100  1.00  0.00           H  
HETATM   95  H   UNL     1      -6.177   0.095   1.062  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.038  -1.946  -1.373  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.410  -0.535  -3.291  1.00  0.00           H  
HETATM   98  H   UNL     1      -7.765  -4.126  -0.147  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.591  -5.747  -0.453  1.00  0.00           H  
HETATM  100  H   UNL     1     -12.291  -3.088   1.504  1.00  0.00           H  
HETATM  101  H   UNL     1     -10.469  -1.464   1.820  1.00  0.00           H  
HETATM  102  H   UNL     1      -5.257   3.843  -0.877  1.00  0.00           H  
CONECT    1    4   23    3    3                                       
CONECT    1    2                                                      
CONECT    2    1   66                                                 
CONECT    3    1    1                                                 
CONECT    4    5    1                                                 
CONECT    5    6    4   67   68                                       
CONECT    6    7    8    5   69                                       
CONECT    7   12    6                                                 
CONECT    8   10    6    9   70                                       
CONECT    9    8   71                                                 
CONECT   10   12   11    8   72                                       
CONECT   11   10   73                                                 
CONECT   12   13    7   10   74                                       
CONECT   13   22   14   12                                            
CONECT   14   15   15   13   75                                       
CONECT   15   16   14   14                                            
CONECT   16   17   17   22   15                                       
CONECT   17   19   18   16   16                                       
CONECT   18   17   76   77                                            
CONECT   19   20   20   17                                            
CONECT   20   19   19   21   78                                       
CONECT   21   20   22   22                                            
CONECT   22   21   21   16   13                                       
CONECT   23   24    1                                                 
CONECT   24   27   26   26   25                                       
CONECT   24   23                                                      
CONECT   25   24   79                                                 
CONECT   26   24   24                                                 
CONECT   27   28   24                                                 
CONECT   28   29   27   80   81                                       
CONECT   29   30   31   28   82                                       
CONECT   30   29   35                                                 
CONECT   31   32   29   33   83                                       
CONECT   32   31   84                                                 
CONECT   33   31   35   34   85                                       
CONECT   34   33   45                                                 
CONECT   35   30   36   33   86                                       
CONECT   36   35   44   37   37                                       
CONECT   37   36   36   38   87                                       
CONECT   38   37   42   42   39                                       
CONECT   39   38   40   40   41                                       
CONECT   40   39   39                                                 
CONECT   41   39   88   89                                            
CONECT   42   43   38   38   90                                       
CONECT   43   44   44   42   91                                       
CONECT   44   43   43   36   92                                       
CONECT   45   34   46   49   65                                       
CONECT   46   47   45                                                 
CONECT   47   46   48   93   94                                       
CONECT   48   47   49   49   53                                       
CONECT   49   45   48   48   50                                       
CONECT   50   49   51   51   95                                       
CONECT   51   50   50   52   54                                       
CONECT   52   53   53   51   96                                       
CONECT   53   48   52   52   97                                       
CONECT   54   51   55                                                 
CONECT   55   60   54   56   56                                       
CONECT   56   55   55   57   98                                       
CONECT   57   58   58   56   99                                       
CONECT   58   59   61   57   57                                       
CONECT   59   60   60   58  100                                       
CONECT   60   59   59   55  101                                       
CONECT   61   64   58   63   62                                       
CONECT   62   61                                                      
CONECT   63   61                                                      
CONECT   64   61                                                      
CONECT   65   45  102                                                 
CONECT   66    2                                                      
CONECT   67    5                                                      
CONECT   68    5                                                      
CONECT   69    6                                                      
CONECT   70    8                                                      
CONECT   71    9                                                      
CONECT   72   10                                                      
CONECT   73   11                                                      
CONECT   74   12                                                      
CONECT   75   14                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   20                                                      
CONECT   79   25                                                      
CONECT   80   28                                                      
CONECT   81   28                                                      
CONECT   82   29                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   33                                                      
CONECT   86   35                                                      
CONECT   87   37                                                      
CONECT   88   41                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   47                                                      
CONECT   94   47                                                      
CONECT   95   50                                                      
CONECT   96   52                                                      
CONECT   97   53                                                      
CONECT   98   56                                                      
CONECT   99   57                                                      
CONECT  100   59                                                      
CONECT  101   60                                                      
CONECT  102   65                                                      
MASTER        0    0    0    0    0    0    0    0  102    0  102    0
END
