COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.972  -6.624  -0.962  1.00  0.00           O  
HETATM    2  P   UNL     1      -6.026  -5.712  -1.767  1.00  0.00           P  
HETATM    3  O   UNL     1      -5.258  -4.462  -2.430  1.00  0.00           O  
HETATM    4  O   UNL     1      -6.666  -6.518  -2.830  1.00  0.00           O  
HETATM    5  O   UNL     1      -7.153  -5.172  -0.751  1.00  0.00           O  
HETATM    6  C   UNL     1      -8.290  -4.419  -1.179  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.598  -5.090  -0.693  1.00  0.00           C  
HETATM    8  O   UNL     1      -9.379  -6.467  -0.379  1.00  0.00           O  
HETATM    9  C   UNL     1      -9.925  -4.276   0.585  1.00  0.00           C  
HETATM   10  N   UNL     1     -11.359  -4.333   0.880  1.00  0.00           N  
HETATM   11  C   UNL     1     -12.296  -3.417   0.503  1.00  0.00           C  
HETATM   12  N   UNL     1     -13.470  -3.780   0.934  1.00  0.00           N  
HETATM   13  C   UNL     1     -13.360  -4.948   1.611  1.00  0.00           C  
HETATM   14  C   UNL     1     -14.264  -5.791   2.280  1.00  0.00           C  
HETATM   15  N   UNL     1     -15.611  -5.480   2.339  1.00  0.00           N  
HETATM   16  N   UNL     1     -13.795  -6.894   2.854  1.00  0.00           N  
HETATM   17  C   UNL     1     -12.511  -7.199   2.802  1.00  0.00           C  
HETATM   18  N   UNL     1     -11.629  -6.440   2.188  1.00  0.00           N  
HETATM   19  C   UNL     1     -12.005  -5.319   1.580  1.00  0.00           C  
HETATM   20  O   UNL     1      -9.530  -2.932   0.238  1.00  0.00           O  
HETATM   21  C   UNL     1      -8.304  -3.033  -0.506  1.00  0.00           C  
HETATM   22  C   UNL     1      -8.250  -1.937  -1.571  1.00  0.00           C  
HETATM   23  O   UNL     1      -8.145  -0.661  -0.937  1.00  0.00           O  
HETATM   24  P   UNL     1      -8.065   0.723  -1.757  1.00  0.00           P  
HETATM   25  O   UNL     1      -6.945   0.660  -2.722  1.00  0.00           O  
HETATM   26  O   UNL     1      -9.446   0.956  -2.552  1.00  0.00           O  
HETATM   27  O   UNL     1      -7.824   1.941  -0.732  1.00  0.00           O  
HETATM   28  P   UNL     1      -7.360   3.473  -0.906  1.00  0.00           P  
HETATM   29  O   UNL     1      -6.287   3.552  -1.922  1.00  0.00           O  
HETATM   30  O   UNL     1      -8.615   4.363  -1.380  1.00  0.00           O  
HETATM   31  O   UNL     1      -6.809   4.029   0.501  1.00  0.00           O  
HETATM   32  C   UNL     1      -6.227   5.325   0.651  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.812   5.533   2.109  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.043   5.420   3.010  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.790   4.465   2.505  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.188   6.920   2.269  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.179   7.920   2.020  1.00  0.00           O  
HETATM   38  C   UNL     1      -4.056   7.079   1.286  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.190   7.797   0.318  1.00  0.00           O  
HETATM   40  N   UNL     1      -2.895   6.424   1.484  1.00  0.00           N  
HETATM   41  C   UNL     1      -1.759   6.660   0.590  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.575   5.798   1.031  1.00  0.00           C  
HETATM   43  C   UNL     1       0.594   6.041   0.111  1.00  0.00           C  
HETATM   44  O   UNL     1       0.489   6.826  -0.807  1.00  0.00           O  
HETATM   45  N   UNL     1       1.755   5.385   0.309  1.00  0.00           N  
HETATM   46  C   UNL     1       2.891   5.622  -0.586  1.00  0.00           C  
HETATM   47  C   UNL     1       4.075   4.760  -0.144  1.00  0.00           C  
HETATM   48  S   UNL     1       5.479   5.052  -1.249  1.00  0.00           S  
HETATM   49  C   UNL     1       6.631   3.996  -0.551  1.00  0.00           C  
HETATM   50  O   UNL     1       6.337   3.335   0.424  1.00  0.00           O  
HETATM   51  C   UNL     1       8.011   3.887  -1.146  1.00  0.00           C  
HETATM   52  C   UNL     1       8.837   2.883  -0.339  1.00  0.00           C  
HETATM   53  C   UNL     1      10.238   2.772  -0.944  1.00  0.00           C  
HETATM   54  C   UNL     1      11.064   1.768  -0.137  1.00  0.00           C  
HETATM   55  C   UNL     1      12.465   1.658  -0.742  1.00  0.00           C  
HETATM   56  C   UNL     1      13.291   0.654   0.065  1.00  0.00           C  
HETATM   57  C   UNL     1      14.692   0.543  -0.539  1.00  0.00           C  
HETATM   58  C   UNL     1      15.518  -0.461   0.267  1.00  0.00           C  
HETATM   59  C   UNL     1      16.919  -0.572  -0.337  1.00  0.00           C  
HETATM   60  C   UNL     1      17.745  -1.576   0.470  1.00  0.00           C  
HETATM   61  C   UNL     1      19.146  -1.686  -0.135  1.00  0.00           C  
HETATM   62  C   UNL     1      19.972  -2.690   0.672  1.00  0.00           C  
HETATM   63  C   UNL     1      21.373  -2.801   0.067  1.00  0.00           C  
HETATM   64  C   UNL     1      22.199  -3.805   0.874  1.00  0.00           C  
HETATM   65  C   UNL     1      23.600  -3.915   0.270  1.00  0.00           C  
HETATM   66  C   UNL     1      24.426  -4.919   1.077  1.00  0.00           C  
HETATM   67  C   UNL     1      25.827  -5.030   0.472  1.00  0.00           C  
HETATM   68  C   UNL     1      26.653  -6.034   1.279  1.00  0.00           C  
HETATM   69  C   UNL     1      28.054  -6.144   0.674  1.00  0.00           C  
HETATM   70  H   UNL     1      -4.263  -6.984  -1.513  1.00  0.00           H  
HETATM   71  H   UNL     1      -4.815  -3.888  -1.790  1.00  0.00           H  
HETATM   72  H   UNL     1      -8.292  -4.316  -2.264  1.00  0.00           H  
HETATM   73  H   UNL     1     -10.389  -4.983  -1.435  1.00  0.00           H  
HETATM   74  H   UNL     1     -10.169  -6.930  -0.070  1.00  0.00           H  
HETATM   75  H   UNL     1      -9.343  -4.641   1.432  1.00  0.00           H  
HETATM   76  H   UNL     1     -12.095  -2.523  -0.068  1.00  0.00           H  
HETATM   77  H   UNL     1     -15.941  -4.673   1.916  1.00  0.00           H  
HETATM   78  H   UNL     1     -16.225  -6.071   2.803  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.172  -8.105   3.282  1.00  0.00           H  
HETATM   80  H   UNL     1      -7.452  -2.940   0.168  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.383  -2.096  -2.213  1.00  0.00           H  
HETATM   82  H   UNL     1      -9.158  -1.970  -2.173  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.225   1.007  -1.981  1.00  0.00           H  
HETATM   84  H   UNL     1      -9.358   4.358  -0.761  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.349   5.406   0.009  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.955   6.086   0.368  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.434   4.403   2.966  1.00  0.00           H  
HETATM   88  H   UNL     1      -6.765   5.657   4.037  1.00  0.00           H  
HETATM   89  H   UNL     1      -7.807   6.119   2.670  1.00  0.00           H  
HETATM   90  H   UNL     1      -3.971   4.462   1.786  1.00  0.00           H  
HETATM   91  H   UNL     1      -4.400   4.686   3.499  1.00  0.00           H  
HETATM   92  H   UNL     1      -5.271   3.487   2.513  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.806   7.032   3.284  1.00  0.00           H  
HETATM   94  H   UNL     1      -6.563   7.880   1.134  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.812   5.795   2.219  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.039   6.398  -0.430  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.478   7.712   0.630  1.00  0.00           H  
HETATM   98  H   UNL     1      -0.295   6.060   2.051  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.856   4.746   0.991  1.00  0.00           H  
HETATM  100  H   UNL     1       1.838   4.757   1.043  1.00  0.00           H  
HETATM  101  H   UNL     1       2.611   5.359  -1.606  1.00  0.00           H  
HETATM  102  H   UNL     1       3.172   6.674  -0.545  1.00  0.00           H  
HETATM  103  H   UNL     1       4.355   5.022   0.876  1.00  0.00           H  
HETATM  104  H   UNL     1       3.794   3.707  -0.184  1.00  0.00           H  
HETATM  105  H   UNL     1       7.936   3.548  -2.180  1.00  0.00           H  
HETATM  106  H   UNL     1       8.497   4.862  -1.119  1.00  0.00           H  
HETATM  107  H   UNL     1       8.913   3.222   0.694  1.00  0.00           H  
HETATM  108  H   UNL     1       8.351   1.907  -0.367  1.00  0.00           H  
HETATM  109  H   UNL     1      10.162   2.433  -1.977  1.00  0.00           H  
HETATM  110  H   UNL     1      10.724   3.748  -0.917  1.00  0.00           H  
HETATM  111  H   UNL     1      11.140   2.107   0.896  1.00  0.00           H  
HETATM  112  H   UNL     1      10.578   0.793  -0.165  1.00  0.00           H  
HETATM  113  H   UNL     1      12.389   1.319  -1.775  1.00  0.00           H  
HETATM  114  H   UNL     1      12.951   2.633  -0.714  1.00  0.00           H  
HETATM  115  H   UNL     1      13.367   0.993   1.098  1.00  0.00           H  
HETATM  116  H   UNL     1      12.805  -0.322   0.038  1.00  0.00           H  
HETATM  117  H   UNL     1      14.616   0.204  -1.573  1.00  0.00           H  
HETATM  118  H   UNL     1      15.178   1.518  -0.512  1.00  0.00           H  
HETATM  119  H   UNL     1      15.594  -0.122   1.301  1.00  0.00           H  
HETATM  120  H   UNL     1      15.032  -1.436   0.240  1.00  0.00           H  
HETATM  121  H   UNL     1      16.843  -0.911  -1.370  1.00  0.00           H  
HETATM  122  H   UNL     1      17.405   0.404  -0.310  1.00  0.00           H  
HETATM  123  H   UNL     1      17.821  -1.236   1.503  1.00  0.00           H  
HETATM  124  H   UNL     1      17.259  -2.551   0.442  1.00  0.00           H  
HETATM  125  H   UNL     1      19.070  -2.025  -1.168  1.00  0.00           H  
HETATM  126  H   UNL     1      19.632  -0.711  -0.107  1.00  0.00           H  
HETATM  127  H   UNL     1      20.048  -2.351   1.705  1.00  0.00           H  
HETATM  128  H   UNL     1      19.486  -3.665   0.644  1.00  0.00           H  
HETATM  129  H   UNL     1      21.297  -3.140  -0.966  1.00  0.00           H  
HETATM  130  H   UNL     1      21.859  -1.825   0.095  1.00  0.00           H  
HETATM  131  H   UNL     1      22.275  -3.466   1.907  1.00  0.00           H  
HETATM  132  H   UNL     1      21.713  -4.780   0.847  1.00  0.00           H  
HETATM  133  H   UNL     1      23.524  -4.254  -0.763  1.00  0.00           H  
HETATM  134  H   UNL     1      24.086  -2.940   0.297  1.00  0.00           H  
HETATM  135  H   UNL     1      24.501  -4.580   2.110  1.00  0.00           H  
HETATM  136  H   UNL     1      23.940  -5.895   1.049  1.00  0.00           H  
HETATM  137  H   UNL     1      25.751  -5.369  -0.561  1.00  0.00           H  
HETATM  138  H   UNL     1      26.312  -4.054   0.499  1.00  0.00           H  
HETATM  139  H   UNL     1      26.729  -5.695   2.312  1.00  0.00           H  
HETATM  140  H   UNL     1      26.167  -7.009   1.251  1.00  0.00           H  
HETATM  141  H   UNL     1      28.642  -6.860   1.249  1.00  0.00           H  
HETATM  142  H   UNL     1      27.978  -6.484  -0.359  1.00  0.00           H  
HETATM  143  H   UNL     1      28.539  -5.169   0.702  1.00  0.00           H  
CONECT    1    2   70                                                 
CONECT    2    4    4    1    3                                       
CONECT    2    5                                                      
CONECT    3    2   71                                                 
CONECT    4    2    2                                                 
CONECT    5    2    6                                                 
CONECT    6    5   21    7   72                                       
CONECT    7    6    8    9   73                                       
CONECT    8    7   74                                                 
CONECT    9    7   20   10   75                                       
CONECT   10    9   19   11                                            
CONECT   11   10   12   12   76                                       
CONECT   12   11   11   13                                            
CONECT   13   19   19   14   12                                       
CONECT   14   16   16   13   15                                       
CONECT   15   14   77   78                                            
CONECT   16   17   14   14                                            
CONECT   17   18   18   16   79                                       
CONECT   18   17   17   19                                            
CONECT   19   18   10   13   13                                       
CONECT   20   21    9                                                 
CONECT   21    6   20   22   80                                       
CONECT   22   21   23   81   82                                       
CONECT   23   22   24                                                 
CONECT   24   25   25   23   27                                       
CONECT   24   26                                                      
CONECT   25   24   24                                                 
CONECT   26   24   83                                                 
CONECT   27   24   28                                                 
CONECT   28   27   29   29   30                                       
CONECT   28   31                                                      
CONECT   29   28   28                                                 
CONECT   30   28   84                                                 
CONECT   31   28   32                                                 
CONECT   32   31   33   85   86                                       
CONECT   33   36   32   35   34                                       
CONECT   34   33   87   88   89                                       
CONECT   35   33   90   91   92                                       
CONECT   36   37   38   33   93                                       
CONECT   37   36   94                                                 
CONECT   38   39   39   36   40                                       
CONECT   39   38   38                                                 
CONECT   40   38   41   95                                            
CONECT   41   40   42   96   97                                       
CONECT   42   41   43   98   99                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46  100                                            
CONECT   46   47   45  101  102                                       
CONECT   47   46   48  103  104                                       
CONECT   48   47   49                                                 
CONECT   49   48   50   50   51                                       
CONECT   50   49   49                                                 
CONECT   51   49   52  105  106                                       
CONECT   52   53   51  107  108                                       
CONECT   53   52   54  109  110                                       
CONECT   54   53   55  111  112                                       
CONECT   55   54   56  113  114                                       
CONECT   56   55   57  115  116                                       
CONECT   57   56   58  117  118                                       
CONECT   58   57   59  119  120                                       
CONECT   59   60   58  121  122                                       
CONECT   60   59   61  123  124                                       
CONECT   61   60   62  125  126                                       
CONECT   62   61   63  127  128                                       
CONECT   63   62   64  129  130                                       
CONECT   64   63   65  131  132                                       
CONECT   65   64   66  133  134                                       
CONECT   66   65   67  135  136                                       
CONECT   67   68   66  137  138                                       
CONECT   68   69   67  139  140                                       
CONECT   69   68  141  142  143                                       
CONECT   70    1                                                      
CONECT   71    3                                                      
CONECT   72    6                                                      
CONECT   73    7                                                      
CONECT   74    8                                                      
CONECT   75    9                                                      
CONECT   76   11                                                      
CONECT   77   15                                                      
CONECT   78   15                                                      
CONECT   79   17                                                      
CONECT   80   21                                                      
CONECT   81   22                                                      
CONECT   82   22                                                      
CONECT   83   26                                                      
CONECT   84   30                                                      
CONECT   85   32                                                      
CONECT   86   32                                                      
CONECT   87   34                                                      
CONECT   88   34                                                      
CONECT   89   34                                                      
CONECT   90   35                                                      
CONECT   91   35                                                      
CONECT   92   35                                                      
CONECT   93   36                                                      
CONECT   94   37                                                      
CONECT   95   40                                                      
CONECT   96   41                                                      
CONECT   97   41                                                      
CONECT   98   42                                                      
CONECT   99   42                                                      
CONECT  100   45                                                      
CONECT  101   46                                                      
CONECT  102   46                                                      
CONECT  103   47                                                      
CONECT  104   47                                                      
CONECT  105   51                                                      
CONECT  106   51                                                      
CONECT  107   52                                                      
CONECT  108   52                                                      
CONECT  109   53                                                      
CONECT  110   53                                                      
CONECT  111   54                                                      
CONECT  112   54                                                      
CONECT  113   55                                                      
CONECT  114   55                                                      
CONECT  115   56                                                      
CONECT  116   56                                                      
CONECT  117   57                                                      
CONECT  118   57                                                      
CONECT  119   58                                                      
CONECT  120   58                                                      
CONECT  121   59                                                      
CONECT  122   59                                                      
CONECT  123   60                                                      
CONECT  124   60                                                      
CONECT  125   61                                                      
CONECT  126   61                                                      
CONECT  127   62                                                      
CONECT  128   62                                                      
CONECT  129   63                                                      
CONECT  130   63                                                      
CONECT  131   64                                                      
CONECT  132   64                                                      
CONECT  133   65                                                      
CONECT  134   65                                                      
CONECT  135   66                                                      
CONECT  136   66                                                      
CONECT  137   67                                                      
CONECT  138   67                                                      
CONECT  139   68                                                      
CONECT  140   68                                                      
CONECT  141   69                                                      
CONECT  142   69                                                      
CONECT  143   69                                                      
MASTER        0    0    0    0    0    0    0    0  143    0  143    0
END
