COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  P   UNL     1       4.632   1.636   0.130  1.00  0.00           P  
HETATM    2  O   UNL     1       4.749   1.758   1.600  1.00  0.00           O  
HETATM    3  O   UNL     1       6.040   2.012  -0.553  1.00  0.00           O  
HETATM    4  O   UNL     1       4.238   0.123  -0.252  1.00  0.00           O  
HETATM    5  C   UNL     1       4.730  -1.015   0.459  1.00  0.00           C  
HETATM    6  C   UNL     1       4.730  -2.234  -0.463  1.00  0.00           C  
HETATM    7  O   UNL     1       6.074  -2.596  -0.788  1.00  0.00           O  
HETATM    8  C   UNL     1       4.090  -3.432   0.256  1.00  0.00           C  
HETATM    9  O   UNL     1       2.760  -3.654  -0.217  1.00  0.00           O  
HETATM   10  C   UNL     1       4.992  -4.632  -0.091  1.00  0.00           C  
HETATM   11  O   UNL     1       4.322  -5.514  -0.994  1.00  0.00           O  
HETATM   12  C   UNL     1       6.227  -4.015  -0.763  1.00  0.00           C  
HETATM   13  N   UNL     1       7.429  -4.367  -0.004  1.00  0.00           N  
HETATM   14  C   UNL     1       8.034  -3.604   0.950  1.00  0.00           C  
HETATM   15  N   UNL     1       9.078  -4.223   1.419  1.00  0.00           N  
HETATM   16  C   UNL     1       9.210  -5.420   0.797  1.00  0.00           C  
HETATM   17  C   UNL     1      10.122  -6.485   0.887  1.00  0.00           C  
HETATM   18  N   UNL     1      11.181  -6.437   1.776  1.00  0.00           N  
HETATM   19  N   UNL     1       9.942  -7.541   0.100  1.00  0.00           N  
HETATM   20  C   UNL     1       8.933  -7.596  -0.750  1.00  0.00           C  
HETATM   21  N   UNL     1       8.056  -6.622  -0.869  1.00  0.00           N  
HETATM   22  C   UNL     1       8.150  -5.529  -0.119  1.00  0.00           C  
HETATM   23  P   UNL     1       1.614  -4.325   0.694  1.00  0.00           P  
HETATM   24  O   UNL     1       1.455  -3.542   1.940  1.00  0.00           O  
HETATM   25  O   UNL     1       2.037  -5.834   1.061  1.00  0.00           O  
HETATM   26  O   UNL     1       0.219  -4.343  -0.107  1.00  0.00           O  
HETATM   27  C   UNL     1      -0.984  -4.879   0.451  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.130  -4.735  -0.551  1.00  0.00           C  
HETATM   29  O   UNL     1      -2.533  -6.025  -1.012  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.341  -4.085   0.136  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.495  -2.732  -0.295  1.00  0.00           O  
HETATM   32  C   UNL     1      -4.551  -4.929  -0.304  1.00  0.00           C  
HETATM   33  O   UNL     1      -5.419  -4.156  -1.135  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.955  -6.100  -1.099  1.00  0.00           C  
HETATM   35  N   UNL     1      -4.418  -7.369  -0.531  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.755  -8.134   0.381  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.456  -9.194   0.665  1.00  0.00           N  
HETATM   38  C   UNL     1      -5.609  -9.175  -0.045  1.00  0.00           C  
HETATM   39  C   UNL     1      -6.721 -10.029  -0.146  1.00  0.00           C  
HETATM   40  N   UNL     1      -6.788 -11.196   0.594  1.00  0.00           N  
HETATM   41  N   UNL     1      -7.708  -9.689  -0.969  1.00  0.00           N  
HETATM   42  C   UNL     1      -7.653  -8.576  -1.679  1.00  0.00           C  
HETATM   43  N   UNL     1      -6.633  -7.748  -1.617  1.00  0.00           N  
HETATM   44  C   UNL     1      -5.602  -8.001  -0.816  1.00  0.00           C  
HETATM   45  P   UNL     1      -4.612  -1.742   0.308  1.00  0.00           P  
HETATM   46  O   UNL     1      -4.631  -1.861   1.783  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.056  -2.140  -0.281  1.00  0.00           O  
HETATM   48  O   UNL     1      -4.266  -0.224  -0.102  1.00  0.00           O  
HETATM   49  C   UNL     1      -4.780   0.910   0.600  1.00  0.00           C  
HETATM   50  C   UNL     1      -4.773   2.129  -0.322  1.00  0.00           C  
HETATM   51  O   UNL     1      -6.115   2.537  -0.599  1.00  0.00           O  
HETATM   52  C   UNL     1      -4.064   3.304   0.369  1.00  0.00           C  
HETATM   53  O   UNL     1      -2.762   3.499  -0.184  1.00  0.00           O  
HETATM   54  C   UNL     1      -4.956   4.528   0.086  1.00  0.00           C  
HETATM   55  O   UNL     1      -4.275   5.453  -0.765  1.00  0.00           O  
HETATM   56  C   UNL     1      -6.195   3.962  -0.623  1.00  0.00           C  
HETATM   57  N   UNL     1      -7.407   4.401   0.073  1.00  0.00           N  
HETATM   58  C   UNL     1      -8.089   3.702   1.024  1.00  0.00           C  
HETATM   59  N   UNL     1      -9.117   4.390   1.428  1.00  0.00           N  
HETATM   60  C   UNL     1      -9.160   5.570   0.765  1.00  0.00           C  
HETATM   61  C   UNL     1     -10.017   6.683   0.784  1.00  0.00           C  
HETATM   62  N   UNL     1     -11.114   6.719   1.628  1.00  0.00           N  
HETATM   63  N   UNL     1      -9.751   7.701  -0.028  1.00  0.00           N  
HETATM   64  C   UNL     1      -8.707   7.676  -0.836  1.00  0.00           C  
HETATM   65  N   UNL     1      -7.877   6.655  -0.888  1.00  0.00           N  
HETATM   66  C   UNL     1      -8.060   5.594  -0.108  1.00  0.00           C  
HETATM   67  P   UNL     1      -1.701   4.549   0.416  1.00  0.00           P  
HETATM   68  O   UNL     1      -1.695   4.455   1.893  1.00  0.00           O  
HETATM   69  O   UNL     1      -2.116   6.041  -0.024  1.00  0.00           O  
HETATM   70  O   UNL     1      -0.231   4.214  -0.148  1.00  0.00           O  
HETATM   71  C   UNL     1       0.967   4.706   0.457  1.00  0.00           C  
HETATM   72  C   UNL     1       2.113   4.644  -0.553  1.00  0.00           C  
HETATM   73  O   UNL     1       2.495   5.968  -0.935  1.00  0.00           O  
HETATM   74  C   UNL     1       3.339   3.975   0.087  1.00  0.00           C  
HETATM   75  O   UNL     1       3.493   2.641  -0.401  1.00  0.00           O  
HETATM   76  C   UNL     1       4.536   4.845  -0.340  1.00  0.00           C  
HETATM   77  O   UNL     1       5.388   4.117  -1.228  1.00  0.00           O  
HETATM   78  C   UNL     1       3.914   6.049  -1.064  1.00  0.00           C  
HETATM   79  N   UNL     1       4.396   7.292  -0.457  1.00  0.00           N  
HETATM   80  C   UNL     1       3.762   8.017   0.508  1.00  0.00           C  
HETATM   81  N   UNL     1       4.471   9.064   0.816  1.00  0.00           N  
HETATM   82  C   UNL     1       5.601   9.078   0.069  1.00  0.00           C  
HETATM   83  C   UNL     1       6.709   9.937  -0.030  1.00  0.00           C  
HETATM   84  N   UNL     1       6.799  11.071   0.757  1.00  0.00           N  
HETATM   85  N   UNL     1       7.669   9.634  -0.898  1.00  0.00           N  
HETATM   86  C   UNL     1       7.592   8.554  -1.654  1.00  0.00           C  
HETATM   87  N   UNL     1       6.574   7.721  -1.595  1.00  0.00           N  
HETATM   88  C   UNL     1       5.569   7.938  -0.752  1.00  0.00           C  
HETATM   89  H   UNL     1       6.774   1.447  -0.278  1.00  0.00           H  
HETATM   90  H   UNL     1       5.747  -0.818   0.800  1.00  0.00           H  
HETATM   91  H   UNL     1       4.090  -1.210   1.319  1.00  0.00           H  
HETATM   92  H   UNL     1       4.178  -2.010  -1.374  1.00  0.00           H  
HETATM   93  H   UNL     1       4.084  -3.266   1.334  1.00  0.00           H  
HETATM   94  H   UNL     1       5.279  -5.166   0.816  1.00  0.00           H  
HETATM   95  H   UNL     1       4.843  -6.288  -1.247  1.00  0.00           H  
HETATM   96  H   UNL     1       6.317  -4.392  -1.782  1.00  0.00           H  
HETATM   97  H   UNL     1       7.696  -2.629   1.269  1.00  0.00           H  
HETATM   98  H   UNL     1      11.302  -5.661   2.346  1.00  0.00           H  
HETATM   99  H   UNL     1      11.804  -7.179   1.829  1.00  0.00           H  
HETATM  100  H   UNL     1       8.824  -8.472  -1.372  1.00  0.00           H  
HETATM  101  H   UNL     1       1.392  -6.301   1.610  1.00  0.00           H  
HETATM  102  H   UNL     1      -0.836  -5.933   0.684  1.00  0.00           H  
HETATM  103  H   UNL     1      -1.231  -4.338   1.365  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.810  -4.123  -1.394  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.227  -4.126   1.220  1.00  0.00           H  
HETATM  106  H   UNL     1      -5.091  -5.299   0.567  1.00  0.00           H  
HETATM  107  H   UNL     1      -6.200  -4.637  -1.442  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.264  -6.031  -2.142  1.00  0.00           H  
HETATM  109  H   UNL     1      -2.791  -7.897   0.805  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.061 -11.433   1.192  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.560 -11.777   0.516  1.00  0.00           H  
HETATM  112  H   UNL     1      -8.477  -8.338  -2.336  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.779  -1.584   0.041  1.00  0.00           H  
HETATM  114  H   UNL     1      -5.801   0.705   0.923  1.00  0.00           H  
HETATM  115  H   UNL     1      -4.157   1.110   1.472  1.00  0.00           H  
HETATM  116  H   UNL     1      -4.263   1.885  -1.254  1.00  0.00           H  
HETATM  117  H   UNL     1      -3.998   3.127   1.442  1.00  0.00           H  
HETATM  118  H   UNL     1      -5.241   5.013   1.020  1.00  0.00           H  
HETATM  119  H   UNL     1      -4.789   6.244  -0.976  1.00  0.00           H  
HETATM  120  H   UNL     1      -6.219   4.312  -1.656  1.00  0.00           H  
HETATM  121  H   UNL     1      -7.816   2.722   1.387  1.00  0.00           H  
HETATM  122  H   UNL     1     -11.298   5.970   2.215  1.00  0.00           H  
HETATM  123  H   UNL     1     -11.698   7.493   1.631  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.526   8.525  -1.479  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.519   6.728   0.303  1.00  0.00           H  
HETATM  126  H   UNL     1       0.817   5.738   0.774  1.00  0.00           H  
HETATM  127  H   UNL     1       1.214   4.092   1.324  1.00  0.00           H  
HETATM  128  H   UNL     1       1.802   4.082  -1.433  1.00  0.00           H  
HETATM  129  H   UNL     1       3.244   3.973   1.173  1.00  0.00           H  
HETATM  130  H   UNL     1       5.096   5.176   0.535  1.00  0.00           H  
HETATM  131  H   UNL     1       6.159   4.616  -1.530  1.00  0.00           H  
HETATM  132  H   UNL     1       4.190   6.026  -2.118  1.00  0.00           H  
HETATM  133  H   UNL     1       2.811   7.760   0.952  1.00  0.00           H  
HETATM  134  H   UNL     1       6.092  11.281   1.388  1.00  0.00           H  
HETATM  135  H   UNL     1       7.569  11.656   0.679  1.00  0.00           H  
HETATM  136  H   UNL     1       8.394   8.345  -2.346  1.00  0.00           H  
CONECT    1    2    2    3    4                                       
CONECT    1   75                                                      
CONECT    2    1    1                                                 
CONECT    3    1   89                                                 
CONECT    4    1    5                                                 
CONECT    5    4    6   90   91                                       
CONECT    6    5    7    8   92                                       
CONECT    7    6   12                                                 
CONECT    8    6    9   10   93                                       
CONECT    9    8   23                                                 
CONECT   10    8   11   12   94                                       
CONECT   11   10   95                                                 
CONECT   12    7   10   13   96                                       
CONECT   13   12   14   22                                            
CONECT   14   13   15   15   97                                       
CONECT   15   14   14   16                                            
CONECT   16   15   17   22   22                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   98   99                                            
CONECT   19   17   17   20                                            
CONECT   20   19   21   21  100                                       
CONECT   21   20   20   22                                            
CONECT   22   13   16   16   21                                       
CONECT   23   24   24   25   26                                       
CONECT   23    9                                                      
CONECT   24   23   23                                                 
CONECT   25   23  101                                                 
CONECT   26   23   27                                                 
CONECT   27   26   28  102  103                                       
CONECT   28   27   29   30  104                                       
CONECT   29   28   34                                                 
CONECT   30   28   31   32  105                                       
CONECT   31   30   45                                                 
CONECT   32   30   33   34  106                                       
CONECT   33   32  107                                                 
CONECT   34   29   32   35  108                                       
CONECT   35   34   36   44                                            
CONECT   36   35   37   37  109                                       
CONECT   37   36   36   38                                            
CONECT   38   37   39   44   44                                       
CONECT   39   38   40   41   41                                       
CONECT   40   39  110  111                                            
CONECT   41   39   39   42                                            
CONECT   42   41   43   43  112                                       
CONECT   43   42   42   44                                            
CONECT   44   35   38   38   43                                       
CONECT   45   46   46   47   48                                       
CONECT   45   31                                                      
CONECT   46   45   45                                                 
CONECT   47   45  113                                                 
CONECT   48   45   49                                                 
CONECT   49   48   50  114  115                                       
CONECT   50   49   51   52  116                                       
CONECT   51   50   56                                                 
CONECT   52   50   53   54  117                                       
CONECT   53   52   67                                                 
CONECT   54   52   55   56  118                                       
CONECT   55   54  119                                                 
CONECT   56   51   54   57  120                                       
CONECT   57   56   58   66                                            
CONECT   58   57   59   59  121                                       
CONECT   59   58   58   60                                            
CONECT   60   59   61   66   66                                       
CONECT   61   60   62   63   63                                       
CONECT   62   61  122  123                                            
CONECT   63   61   61   64                                            
CONECT   64   63   65   65  124                                       
CONECT   65   64   64   66                                            
CONECT   66   57   60   60   65                                       
CONECT   67   68   68   69   70                                       
CONECT   67   53                                                      
CONECT   68   67   67                                                 
CONECT   69   67  125                                                 
CONECT   70   67   71                                                 
CONECT   71   70   72  126  127                                       
CONECT   72   71   73   74  128                                       
CONECT   73   72   78                                                 
CONECT   74   72   75   76  129                                       
CONECT   75   74    1                                                 
CONECT   76   74   77   78  130                                       
CONECT   77   76  131                                                 
CONECT   78   73   76   79  132                                       
CONECT   79   78   80   88                                            
CONECT   80   79   81   81  133                                       
CONECT   81   80   80   82                                            
CONECT   82   81   83   88   88                                       
CONECT   83   82   84   85   85                                       
CONECT   84   83  134  135                                            
CONECT   85   83   83   86                                            
CONECT   86   85   87   87  136                                       
CONECT   87   86   86   88                                            
CONECT   88   79   82   82   87                                       
CONECT   89    3                                                      
CONECT   90    5                                                      
CONECT   91    5                                                      
CONECT   92    6                                                      
CONECT   93    8                                                      
CONECT   94   10                                                      
CONECT   95   11                                                      
CONECT   96   12                                                      
CONECT   97   14                                                      
CONECT   98   18                                                      
CONECT   99   18                                                      
CONECT  100   20                                                      
CONECT  101   25                                                      
CONECT  102   27                                                      
CONECT  103   27                                                      
CONECT  104   28                                                      
CONECT  105   30                                                      
CONECT  106   32                                                      
CONECT  107   33                                                      
CONECT  108   34                                                      
CONECT  109   36                                                      
CONECT  110   40                                                      
CONECT  111   40                                                      
CONECT  112   42                                                      
CONECT  113   47                                                      
CONECT  114   49                                                      
CONECT  115   49                                                      
CONECT  116   50                                                      
CONECT  117   52                                                      
CONECT  118   54                                                      
CONECT  119   55                                                      
CONECT  120   56                                                      
CONECT  121   58                                                      
CONECT  122   62                                                      
CONECT  123   62                                                      
CONECT  124   64                                                      
CONECT  125   69                                                      
CONECT  126   71                                                      
CONECT  127   71                                                      
CONECT  128   72                                                      
CONECT  129   74                                                      
CONECT  130   76                                                      
CONECT  131   77                                                      
CONECT  132   78                                                      
CONECT  133   80                                                      
CONECT  134   84                                                      
CONECT  135   84                                                      
CONECT  136   86                                                      
MASTER        0    0    0    0    0    0    0    0  136    0  136    0
END
