COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.769  -0.114   1.031  1.00  0.00           O  
HETATM    2  P   UNL     1      -3.784   0.954   1.406  1.00  0.00           P  
HETATM    3  O   UNL     1      -4.427   2.399   1.746  1.00  0.00           O  
HETATM    4  O   UNL     1      -2.889   0.629   2.713  1.00  0.00           O  
HETATM    5  O   UNL     1      -2.668   1.282   0.288  1.00  0.00           O  
HETATM    6  C   UNL     1      -1.808   0.240  -0.121  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.539  -0.945  -0.724  1.00  0.00           C  
HETATM    8  O   UNL     1      -3.657  -0.521  -1.502  1.00  0.00           O  
HETATM    9  C   UNL     1      -1.486  -1.559  -1.648  1.00  0.00           C  
HETATM   10  N   UNL     1      -0.864  -2.769  -1.106  1.00  0.00           N  
HETATM   11  C   UNL     1      -1.247  -4.061  -1.334  1.00  0.00           C  
HETATM   12  N   UNL     1      -2.266  -4.490  -2.093  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.334  -5.839  -2.075  1.00  0.00           C  
HETATM   14  N   UNL     1      -1.541  -6.720  -1.420  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.530  -6.217  -0.671  1.00  0.00           C  
HETATM   16  N   UNL     1       0.327  -7.080   0.032  1.00  0.00           N  
HETATM   17  C   UNL     1      -0.357  -4.838  -0.609  1.00  0.00           C  
HETATM   18  N   UNL     1       0.553  -4.048   0.048  1.00  0.00           N  
HETATM   19  C   UNL     1       0.222  -2.814  -0.270  1.00  0.00           C  
HETATM   20  O   UNL     1      -0.471  -0.559  -1.878  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.892   0.665  -1.255  1.00  0.00           C  
HETATM   22  C   UNL     1       0.322   1.450  -0.790  1.00  0.00           C  
HETATM   23  O   UNL     1       1.113   1.787  -1.917  1.00  0.00           O  
HETATM   24  P   UNL     1       2.480   2.631  -1.723  1.00  0.00           P  
HETATM   25  O   UNL     1       2.039   3.943  -0.885  1.00  0.00           O  
HETATM   26  O   UNL     1       3.230   2.928  -2.989  1.00  0.00           O  
HETATM   27  O   UNL     1       3.300   1.748  -0.645  1.00  0.00           O  
HETATM   28  P   UNL     1       3.933   0.264  -0.750  1.00  0.00           P  
HETATM   29  O   UNL     1       5.105   0.434  -1.851  1.00  0.00           O  
HETATM   30  O   UNL     1       2.946  -0.829  -1.038  1.00  0.00           O  
HETATM   31  O   UNL     1       4.717   0.166   0.658  1.00  0.00           O  
HETATM   32  C   UNL     1       3.952   0.178   1.859  1.00  0.00           C  
HETATM   33  C   UNL     1       4.867   0.076   3.103  1.00  0.00           C  
HETATM   34  C   UNL     1       5.656  -1.254   3.034  1.00  0.00           C  
HETATM   35  C   UNL     1       5.895   1.225   3.089  1.00  0.00           C  
HETATM   36  C   UNL     1       4.033   0.089   4.418  1.00  0.00           C  
HETATM   37  O   UNL     1       4.905  -0.001   5.541  1.00  0.00           O  
HETATM   38  C   UNL     1       3.198   1.352   4.619  1.00  0.00           C  
HETATM   39  O   UNL     1       3.654   2.363   5.150  1.00  0.00           O  
HETATM   40  N   UNL     1       1.911   1.229   4.121  1.00  0.00           N  
HETATM   41  C   UNL     1       0.942   2.300   4.171  1.00  0.00           C  
HETATM   42  C   UNL     1       1.047   3.150   2.912  1.00  0.00           C  
HETATM   43  C   UNL     1       0.063   4.306   2.908  1.00  0.00           C  
HETATM   44  O   UNL     1      -0.726   4.521   3.824  1.00  0.00           O  
HETATM   45  N   UNL     1       0.175   5.067   1.753  1.00  0.00           N  
HETATM   46  C   UNL     1      -0.647   6.226   1.496  1.00  0.00           C  
HETATM   47  C   UNL     1      -0.035   7.519   2.018  1.00  0.00           C  
HETATM   48  S   UNL     1       1.601   7.846   1.294  1.00  0.00           S  
HETATM   49  C   UNL     1       1.988   9.416   2.136  1.00  0.00           C  
HETATM   50  O   UNL     1       2.010   9.237   3.551  1.00  0.00           O  
HETATM   51  C   UNL     1       3.330   9.981   1.743  1.00  0.00           C  
HETATM   52  N   UNL     1       3.519  11.153   1.226  1.00  0.00           N1+
HETATM   53  C   UNL     1       2.446  12.084   0.959  1.00  0.00           C  
HETATM   54  C   UNL     1       1.921  11.865  -0.434  1.00  0.00           C  
HETATM   55  C   UNL     1       0.899  12.604  -0.970  1.00  0.00           C  
HETATM   56  N   UNL     1       0.305  13.621  -0.183  1.00  0.00           N  
HETATM   57  N   UNL     1       0.426  12.411  -2.218  1.00  0.00           N  
HETATM   58  C   UNL     1       1.035  11.429  -2.911  1.00  0.00           C  
HETATM   59  C   UNL     1       0.540  11.186  -4.297  1.00  0.00           C  
HETATM   60  N   UNL     1       2.044  10.645  -2.487  1.00  0.00           N  
HETATM   61  C   UNL     1       2.467  10.892  -1.230  1.00  0.00           C  
HETATM   62  C   UNL     1       4.839  11.435   0.955  1.00  0.00           C  
HETATM   63  C   UNL     1       5.169  12.742   0.367  1.00  0.00           C  
HETATM   64  S   UNL     1       4.758   9.099   1.953  1.00  0.00           S  
HETATM   65  C   UNL     1       5.674  10.399   1.298  1.00  0.00           C  
HETATM   66  C   UNL     1       7.142  10.284   1.180  1.00  0.00           C  
HETATM   67  C   UNL     1       7.608   9.692  -0.159  1.00  0.00           C  
HETATM   68  O   UNL     1       7.187  10.536  -1.223  1.00  0.00           O  
HETATM   69  P   UNL     1       7.547  10.146  -2.749  1.00  0.00           P  
HETATM   70  O   UNL     1       7.046  11.118  -3.778  1.00  0.00           O  
HETATM   71  O   UNL     1       9.152   9.945  -2.748  1.00  0.00           O  
HETATM   72  O   UNL     1       6.985   8.641  -2.930  1.00  0.00           O  
HETATM   73  P   UNL     1       5.476   8.065  -2.917  1.00  0.00           P  
HETATM   74  O   UNL     1       4.726   8.303  -1.639  1.00  0.00           O  
HETATM   75  O   UNL     1       5.673   6.512  -3.321  1.00  0.00           O  
HETATM   76  O   UNL     1       4.814   8.719  -4.238  1.00  0.00           O  
HETATM   77  H   UNL     1      -5.185   2.446   2.367  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.334   0.304   3.525  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.216  -0.094   0.741  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.922  -1.634   0.035  1.00  0.00           H  
HETATM   81  H   UNL     1      -1.432   1.263  -1.999  1.00  0.00           H  
HETATM   82  H   UNL     1      -3.857  -1.234  -2.133  1.00  0.00           H  
HETATM   83  H   UNL     1      -1.899  -1.859  -2.616  1.00  0.00           H  
HETATM   84  H   UNL     1       0.725  -1.920   0.070  1.00  0.00           H  
HETATM   85  H   UNL     1      -3.132  -6.276  -2.666  1.00  0.00           H  
HETATM   86  H   UNL     1       1.294  -7.134  -0.228  1.00  0.00           H  
HETATM   87  H   UNL     1      -0.055  -7.700   0.721  1.00  0.00           H  
HETATM   88  H   UNL     1       0.926   0.850  -0.103  1.00  0.00           H  
HETATM   89  H   UNL     1       0.014   2.371  -0.287  1.00  0.00           H  
HETATM   90  H   UNL     1       2.697   4.655  -0.739  1.00  0.00           H  
HETATM   91  H   UNL     1       4.864   0.472  -2.801  1.00  0.00           H  
HETATM   92  H   UNL     1       3.375   1.109   1.871  1.00  0.00           H  
HETATM   93  H   UNL     1       3.249  -0.661   1.816  1.00  0.00           H  
HETATM   94  H   UNL     1       6.277  -1.388   3.927  1.00  0.00           H  
HETATM   95  H   UNL     1       6.323  -1.284   2.165  1.00  0.00           H  
HETATM   96  H   UNL     1       4.985  -2.116   2.961  1.00  0.00           H  
HETATM   97  H   UNL     1       6.582   1.139   2.240  1.00  0.00           H  
HETATM   98  H   UNL     1       6.503   1.221   4.001  1.00  0.00           H  
HETATM   99  H   UNL     1       5.407   2.202   3.009  1.00  0.00           H  
HETATM  100  H   UNL     1       3.374  -0.788   4.450  1.00  0.00           H  
HETATM  101  H   UNL     1       5.260   0.889   5.687  1.00  0.00           H  
HETATM  102  H   UNL     1       1.630   0.363   3.672  1.00  0.00           H  
HETATM  103  H   UNL     1      -0.063   1.874   4.265  1.00  0.00           H  
HETATM  104  H   UNL     1       1.122   2.910   5.063  1.00  0.00           H  
HETATM  105  H   UNL     1       0.858   2.532   2.025  1.00  0.00           H  
HETATM  106  H   UNL     1       2.061   3.558   2.817  1.00  0.00           H  
HETATM  107  H   UNL     1       0.865   4.797   1.058  1.00  0.00           H  
HETATM  108  H   UNL     1      -0.762   6.292   0.408  1.00  0.00           H  
HETATM  109  H   UNL     1      -1.638   6.040   1.924  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.685   8.373   1.805  1.00  0.00           H  
HETATM  111  H   UNL     1       0.091   7.451   3.103  1.00  0.00           H  
HETATM  112  H   UNL     1       1.182  10.127   1.928  1.00  0.00           H  
HETATM  113  H   UNL     1       1.427   9.918   3.926  1.00  0.00           H  
HETATM  114  H   UNL     1       2.814  13.110   1.081  1.00  0.00           H  
HETATM  115  H   UNL     1       1.651  11.949   1.702  1.00  0.00           H  
HETATM  116  H   UNL     1       3.280  10.257  -0.891  1.00  0.00           H  
HETATM  117  H   UNL     1       0.169  14.523  -0.585  1.00  0.00           H  
HETATM  118  H   UNL     1       0.124  13.440   0.781  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.168  11.970  -4.593  1.00  0.00           H  
HETATM  120  H   UNL     1       1.367  11.174  -5.019  1.00  0.00           H  
HETATM  121  H   UNL     1       0.035  10.214  -4.375  1.00  0.00           H  
HETATM  122  H   UNL     1       6.083  12.687  -0.250  1.00  0.00           H  
HETATM  123  H   UNL     1       4.358  13.128  -0.278  1.00  0.00           H  
HETATM  124  H   UNL     1       5.336  13.518   1.136  1.00  0.00           H  
HETATM  125  H   UNL     1       7.624  11.271   1.313  1.00  0.00           H  
HETATM  126  H   UNL     1       7.544   9.648   1.990  1.00  0.00           H  
HETATM  127  H   UNL     1       8.701   9.630  -0.193  1.00  0.00           H  
HETATM  128  H   UNL     1       7.194   8.691  -0.316  1.00  0.00           H  
HETATM  129  H   UNL     1       9.730  10.737  -2.790  1.00  0.00           H  
HETATM  130  H   UNL     1       4.896   5.914  -3.298  1.00  0.00           H  
HETATM  131  H   UNL     1       3.859   8.577  -4.411  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    2    5                                                      
CONECT    3    2   77                                                 
CONECT    4    2   78                                                 
CONECT    5    2    6                                                 
CONECT    6    5    7   21   79                                       
CONECT    7    6    8    9   80                                       
CONECT    8    7   82                                                 
CONECT    9    7   10   20   83                                       
CONECT   10    9   11   19                                            
CONECT   11   10   12   17   17                                       
CONECT   12   11   13   13                                            
CONECT   13   12   12   14   85                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   16   17                                       
CONECT   16   15   86   87                                            
CONECT   17   11   11   15   18                                       
CONECT   18   17   19   19                                            
CONECT   19   10   18   18   84                                       
CONECT   20    9   21                                                 
CONECT   21    6   20   22   81                                       
CONECT   22   89   21   23   88                                       
CONECT   23   22   24                                                 
CONECT   24   23   25   26   26                                       
CONECT   24   27                                                      
CONECT   25   90   24                                                 
CONECT   26   24   24                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   30   30                                       
CONECT   28   31                                                      
CONECT   29   91   28                                                 
CONECT   30   28   28                                                 
CONECT   31   28   32                                                 
CONECT   32   92   93   31   33                                       
CONECT   33   32   34   35   36                                       
CONECT   34   94   95   96   33                                       
CONECT   35   97   98   99   33                                       
CONECT   36  100   33   37   38                                       
CONECT   37  101   36                                                 
CONECT   38   36   39   39   40                                       
CONECT   39   38   38                                                 
CONECT   40  102   38   41                                            
CONECT   41  103  104   40   42                                       
CONECT   42  105  106   41   43                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45  107   43   46                                            
CONECT   46  108  109   45   47                                       
CONECT   47  110  111   46   48                                       
CONECT   48   47   49                                                 
CONECT   49  112   48   50   51                                       
CONECT   50  113   49                                                 
CONECT   51   49   52   52   64                                       
CONECT   52   51   51   53   62                                       
CONECT   53  114  115   52   54                                       
CONECT   54   53   55   61   61                                       
CONECT   55   54   56   57   57                                       
CONECT   56  117  118   55                                            
CONECT   57   55   55   58                                            
CONECT   58   57   59   60   60                                       
CONECT   59  119  120  121   58                                       
CONECT   60   58   58   61                                            
CONECT   61  116   54   54   60                                       
CONECT   62   52   63   65   65                                       
CONECT   63  122  123  124   62                                       
CONECT   64   51   65                                                 
CONECT   65   62   62   64   66                                       
CONECT   66  125  126   65   67                                       
CONECT   67  127  128   66   68                                       
CONECT   68   67   69                                                 
CONECT   69   68   70   70   71                                       
CONECT   69   72                                                      
CONECT   70   69   69                                                 
CONECT   71  129   69                                                 
CONECT   72   69   73                                                 
CONECT   73   72   74   74   75                                       
CONECT   73   76                                                      
CONECT   74   73   73                                                 
CONECT   75  130   73                                                 
CONECT   76  131   73                                                 
CONECT   77    3                                                      
CONECT   78    4                                                      
CONECT   79    6                                                      
CONECT   80    7                                                      
CONECT   81   21                                                      
CONECT   82    8                                                      
CONECT   83    9                                                      
CONECT   84   19                                                      
CONECT   85   13                                                      
CONECT   86   16                                                      
CONECT   87   16                                                      
CONECT   88   22                                                      
CONECT   89   22                                                      
CONECT   90   25                                                      
CONECT   91   29                                                      
CONECT   92   32                                                      
CONECT   93   32                                                      
CONECT   94   34                                                      
CONECT   95   34                                                      
CONECT   96   34                                                      
CONECT   97   35                                                      
CONECT   98   35                                                      
CONECT   99   35                                                      
CONECT  100   36                                                      
CONECT  101   37                                                      
CONECT  102   40                                                      
CONECT  103   41                                                      
CONECT  104   41                                                      
CONECT  105   42                                                      
CONECT  106   42                                                      
CONECT  107   45                                                      
CONECT  108   46                                                      
CONECT  109   46                                                      
CONECT  110   47                                                      
CONECT  111   47                                                      
CONECT  112   49                                                      
CONECT  113   50                                                      
CONECT  114   53                                                      
CONECT  115   53                                                      
CONECT  116   61                                                      
CONECT  117   56                                                      
CONECT  118   56                                                      
CONECT  119   59                                                      
CONECT  120   59                                                      
CONECT  121   59                                                      
CONECT  122   63                                                      
CONECT  123   63                                                      
CONECT  124   63                                                      
CONECT  125   66                                                      
CONECT  126   66                                                      
CONECT  127   67                                                      
CONECT  128   67                                                      
CONECT  129   71                                                      
CONECT  130   75                                                      
CONECT  131   76                                                      
MASTER        0    0    0    0    0    0    0    0  131    0  131    0
END
