COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      10.809  -4.870   2.729  1.00  0.00           O  
HETATM    2  P   UNL     1      10.599  -5.452   1.242  1.00  0.00           P  
HETATM    3  O   UNL     1      10.033  -6.817   1.322  1.00  0.00           O  
HETATM    4  O   UNL     1       9.588  -4.498   0.430  1.00  0.00           O  
HETATM    5  C   UNL     1      12.197  -5.509   0.384  1.00  0.00           C  
HETATM    6  C   UNL     1      12.985  -6.640   0.466  1.00  0.00           C  
HETATM    7  C   UNL     1      14.203  -6.684  -0.187  1.00  0.00           C  
HETATM    8  C   UNL     1      14.634  -5.596  -0.924  1.00  0.00           C  
HETATM    9  C   UNL     1      13.849  -4.463  -1.009  1.00  0.00           C  
HETATM   10  C   UNL     1      12.625  -4.418  -0.359  1.00  0.00           C  
HETATM   11  O   UNL     1      11.851  -3.304  -0.441  1.00  0.00           O  
HETATM   12  C   UNL     1      12.361  -2.215  -1.214  1.00  0.00           C  
HETATM   13  C   UNL     1      11.373  -1.077  -1.190  1.00  0.00           C  
HETATM   14  O   UNL     1      10.335  -1.187  -0.572  1.00  0.00           O  
HETATM   15  N   UNL     1      11.644   0.064  -1.855  1.00  0.00           N  
HETATM   16  C   UNL     1      10.687   1.083  -1.914  1.00  0.00           C  
HETATM   17  C   UNL     1       9.862   1.322  -0.826  1.00  0.00           C  
HETATM   18  C   UNL     1      10.568   1.860  -3.060  1.00  0.00           C  
HETATM   19  C   UNL     1       9.625   2.868  -3.123  1.00  0.00           C  
HETATM   20  C   UNL     1       8.795   3.111  -2.048  1.00  0.00           C  
HETATM   21  C   UNL     1       8.910   2.340  -0.890  1.00  0.00           C  
HETATM   22  C   UNL     1       8.021   2.598   0.264  1.00  0.00           C  
HETATM   23  O   UNL     1       8.123   1.925   1.271  1.00  0.00           O  
HETATM   24  N   UNL     1       7.099   3.578   0.198  1.00  0.00           N  
HETATM   25  C   UNL     1       6.219   3.833   1.341  1.00  0.00           C  
HETATM   26  C   UNL     1       5.272   4.989   1.008  1.00  0.00           C  
HETATM   27  C   UNL     1       4.353   5.255   2.202  1.00  0.00           C  
HETATM   28  O   UNL     1       3.470   6.334   1.891  1.00  0.00           O  
HETATM   29  C   UNL     1       2.563   6.666   2.945  1.00  0.00           C  
HETATM   30  C   UNL     1       1.671   7.827   2.504  1.00  0.00           C  
HETATM   31  O   UNL     1       0.846   7.408   1.415  1.00  0.00           O  
HETATM   32  C   UNL     1      -0.031   8.424   0.925  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.860   7.866  -0.233  1.00  0.00           C  
HETATM   34  O   UNL     1      -1.717   6.829   0.251  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.539   6.238  -0.757  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.409   5.147  -0.129  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.290   4.513  -1.207  1.00  0.00           C  
HETATM   38  N   UNL     1      -5.123   3.468  -0.606  1.00  0.00           N  
HETATM   39  H   UNL     1      11.178  -3.976   2.753  1.00  0.00           H  
HETATM   40  H   UNL     1       8.712  -4.420   0.832  1.00  0.00           H  
HETATM   41  H   UNL     1      12.651  -7.490   1.042  1.00  0.00           H  
HETATM   42  H   UNL     1      14.818  -7.569  -0.122  1.00  0.00           H  
HETATM   43  H   UNL     1      15.586  -5.633  -1.434  1.00  0.00           H  
HETATM   44  H   UNL     1      14.187  -3.613  -1.585  1.00  0.00           H  
HETATM   45  H   UNL     1      13.309  -1.883  -0.791  1.00  0.00           H  
HETATM   46  H   UNL     1      12.515  -2.541  -2.242  1.00  0.00           H  
HETATM   47  H   UNL     1      12.502   0.178  -2.293  1.00  0.00           H  
HETATM   48  H   UNL     1       9.955   0.723   0.067  1.00  0.00           H  
HETATM   49  H   UNL     1      11.216   1.675  -3.905  1.00  0.00           H  
HETATM   50  H   UNL     1       9.537   3.468  -4.017  1.00  0.00           H  
HETATM   51  H   UNL     1       8.059   3.900  -2.101  1.00  0.00           H  
HETATM   52  H   UNL     1       7.017   4.115  -0.606  1.00  0.00           H  
HETATM   53  H   UNL     1       5.636   2.938   1.559  1.00  0.00           H  
HETATM   54  H   UNL     1       6.820   4.095   2.212  1.00  0.00           H  
HETATM   55  H   UNL     1       5.855   5.884   0.791  1.00  0.00           H  
HETATM   56  H   UNL     1       4.671   4.726   0.138  1.00  0.00           H  
HETATM   57  H   UNL     1       3.771   4.360   2.419  1.00  0.00           H  
HETATM   58  H   UNL     1       4.955   5.517   3.072  1.00  0.00           H  
HETATM   59  H   UNL     1       1.944   5.800   3.178  1.00  0.00           H  
HETATM   60  H   UNL     1       3.128   6.957   3.831  1.00  0.00           H  
HETATM   61  H   UNL     1       1.041   8.139   3.338  1.00  0.00           H  
HETATM   62  H   UNL     1       2.294   8.664   2.187  1.00  0.00           H  
HETATM   63  H   UNL     1      -0.695   8.748   1.726  1.00  0.00           H  
HETATM   64  H   UNL     1       0.557   9.273   0.575  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.465   8.664  -0.665  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.195   7.462  -0.995  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.178   7.002  -1.199  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.909   5.799  -1.530  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.770   4.382   0.314  1.00  0.00           H  
HETATM   70  H   UNL     1      -4.040   5.585   0.644  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.929   5.277  -1.650  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.659   4.075  -1.981  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.055   3.280   0.343  1.00  0.00           H  
HETATM   74  C   UNL     1      -5.985   2.770  -1.372  1.00  0.00           C  
HETATM   75  C   UNL     1      -6.824   1.717  -0.766  1.00  0.00           C  
HETATM   76  O   UNL     1      -6.070   3.006  -2.561  1.00  0.00           O  
HETATM   77  C   UNL     1      -7.717   0.992  -1.559  1.00  0.00           C  
HETATM   78  C   UNL     1      -8.498   0.010  -0.991  1.00  0.00           C  
HETATM   79  C   UNL     1      -8.399  -0.259   0.371  1.00  0.00           C  
HETATM   80  C   UNL     1      -7.510   0.461   1.163  1.00  0.00           C  
HETATM   81  C   UNL     1      -6.722   1.440   0.600  1.00  0.00           C  
HETATM   82  N   UNL     1      -9.192  -1.253   0.943  1.00  0.00           N  
HETATM   83  C   UNL     1     -10.434  -1.478   0.472  1.00  0.00           C  
HETATM   84  C   UNL     1     -11.248  -2.626   1.012  1.00  0.00           C  
HETATM   85  O   UNL     1     -12.519  -2.657   0.360  1.00  0.00           O  
HETATM   86  O   UNL     1     -10.897  -0.757  -0.387  1.00  0.00           O  
HETATM   87  C   UNL     1     -13.381  -3.639   0.734  1.00  0.00           C  
HETATM   88  C   UNL     1     -13.011  -4.554   1.708  1.00  0.00           C  
HETATM   89  C   UNL     1     -13.888  -5.552   2.086  1.00  0.00           C  
HETATM   90  C   UNL     1     -15.135  -5.638   1.494  1.00  0.00           C  
HETATM   91  C   UNL     1     -15.506  -4.727   0.523  1.00  0.00           C  
HETATM   92  C   UNL     1     -14.635  -3.724   0.146  1.00  0.00           C  
HETATM   93  P   UNL     1     -15.123  -2.529  -1.129  1.00  0.00           P  
HETATM   94  O   UNL     1     -15.847  -1.270  -0.435  1.00  0.00           O  
HETATM   95  O   UNL     1     -13.920  -2.067  -1.858  1.00  0.00           O  
HETATM   96  O   UNL     1     -16.139  -3.231  -2.161  1.00  0.00           O  
HETATM   97  H   UNL     1      -7.796   1.201  -2.615  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.189  -0.551  -1.602  1.00  0.00           H  
HETATM   99  H   UNL     1      -7.436   0.250   2.219  1.00  0.00           H  
HETATM  100  H   UNL     1      -6.032   1.999   1.215  1.00  0.00           H  
HETATM  101  H   UNL     1      -8.849  -1.782   1.680  1.00  0.00           H  
HETATM  102  H   UNL     1     -10.722  -3.563   0.827  1.00  0.00           H  
HETATM  103  H   UNL     1     -11.393  -2.496   2.084  1.00  0.00           H  
HETATM  104  H   UNL     1     -12.037  -4.488   2.170  1.00  0.00           H  
HETATM  105  H   UNL     1     -13.600  -6.265   2.844  1.00  0.00           H  
HETATM  106  H   UNL     1     -15.819  -6.419   1.791  1.00  0.00           H  
HETATM  107  H   UNL     1     -16.480  -4.798   0.062  1.00  0.00           H  
HETATM  108  H   UNL     1     -16.644  -1.499   0.061  1.00  0.00           H  
HETATM  109  H   UNL     1     -16.443  -2.649  -2.872  1.00  0.00           H  
CONECT    1    2   39                                                 
CONECT    2    3    3    4    5                                       
CONECT    2    1                                                      
CONECT    3    2    2                                                 
CONECT    4    2   40                                                 
CONECT    5   10    2    6    6                                       
CONECT    6    5    5    7   41                                       
CONECT    7    8    8    6   42                                       
CONECT    8    9    7    7   43                                       
CONECT    9   10   10    8   44                                       
CONECT   10   11    9    9    5                                       
CONECT   11   12   10                                                 
CONECT   12   13   11   45   46                                       
CONECT   13   14   14   15   12                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   47                                            
CONECT   16   18   15   17   17                                       
CONECT   17   16   16   21   48                                       
CONECT   18   19   19   16   49                                       
CONECT   19   18   18   20   50                                       
CONECT   20   19   21   21   51                                       
CONECT   21   20   20   17   22                                       
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   52                                            
CONECT   25   24   26   53   54                                       
CONECT   26   25   27   55   56                                       
CONECT   27   28   26   57   58                                       
CONECT   28   27   29                                                 
CONECT   29   30   28   59   60                                       
CONECT   30   31   29   61   62                                       
CONECT   31   30   32                                                 
CONECT   32   31   33   63   64                                       
CONECT   33   32   34   65   66                                       
CONECT   34   33   35                                                 
CONECT   35   34   36   67   68                                       
CONECT   36   35   37   69   70                                       
CONECT   37   36   38   71   72                                       
CONECT   38   37   73   74                                            
CONECT   39    1                                                      
CONECT   40    4                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    8                                                      
CONECT   44    9                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   15                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   24                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   29                                                      
CONECT   60   29                                                      
CONECT   61   30                                                      
CONECT   62   30                                                      
CONECT   63   32                                                      
CONECT   64   32                                                      
CONECT   65   33                                                      
CONECT   66   33                                                      
CONECT   67   35                                                      
CONECT   68   35                                                      
CONECT   69   36                                                      
CONECT   70   36                                                      
CONECT   71   37                                                      
CONECT   72   37                                                      
CONECT   73   38                                                      
CONECT   74   38   75   76   76                                       
CONECT   75   74   77   81   81                                       
CONECT   76   74   74                                                 
CONECT   77   75   78   78   97                                       
CONECT   78   77   77   79   98                                       
CONECT   79   78   80   80   82                                       
CONECT   80   79   79   81   99                                       
CONECT   81   80   75   75  100                                       
CONECT   82   79   83  101                                            
CONECT   83   82   84   86   86                                       
CONECT   84   83   85  102  103                                       
CONECT   85   84   87                                                 
CONECT   86   83   83                                                 
CONECT   87   85   88   92   92                                       
CONECT   88   87   89   89  104                                       
CONECT   89   88   88   90  105                                       
CONECT   90   89   91   91  106                                       
CONECT   91   90   90   92  107                                       
CONECT   92   91   87   87   93                                       
CONECT   93   92   94   95   95                                       
CONECT   93   96                                                      
CONECT   94   93  108                                                 
CONECT   95   93   93                                                 
CONECT   96   93  109                                                 
CONECT   97   77                                                      
CONECT   98   78                                                      
CONECT   99   80                                                      
CONECT  100   81                                                      
CONECT  101   82                                                      
CONECT  102   84                                                      
CONECT  103   84                                                      
CONECT  104   88                                                      
CONECT  105   89                                                      
CONECT  106   90                                                      
CONECT  107   91                                                      
CONECT  108   94                                                      
CONECT  109   96                                                      
MASTER        0    0    0    0    0    0    0    0  109    0  109    0
END
