COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1     -13.052   5.502   1.531  1.00  0.00           C  
HETATM    2  C   UNL     1     -14.449   5.681  -0.457  1.00  0.00           C  
HETATM    3  C   UNL     1     -12.128  -4.698   1.294  1.00  0.00           C  
HETATM    4  C   UNL     1     -13.275  -5.018   0.334  1.00  0.00           C  
HETATM    5  C   UNL     1     -14.589  -4.491   0.915  1.00  0.00           C  
HETATM    6  C   UNL     1     -13.011  -4.350  -1.017  1.00  0.00           C  
HETATM    7  O   UNL     1     -12.920  -2.935  -0.839  1.00  0.00           O  
HETATM    8  P   UNL     1     -12.647  -1.914  -2.053  1.00  0.00           P  
HETATM    9  O   UNL     1     -13.662  -2.122  -3.110  1.00  0.00           O  
HETATM   10  O   UNL     1     -11.179  -2.181  -2.659  1.00  0.00           O  
HETATM   11  O   UNL     1     -12.737  -0.400  -1.513  1.00  0.00           O  
HETATM   12  P   UNL     1     -12.970   1.027  -2.219  1.00  0.00           P  
HETATM   13  O   UNL     1     -14.077   0.920  -3.196  1.00  0.00           O  
HETATM   14  O   UNL     1     -11.624   1.476  -2.980  1.00  0.00           O  
HETATM   15  O   UNL     1     -13.345   2.124  -1.102  1.00  0.00           O  
HETATM   16  C   UNL     1     -13.713   3.467  -1.422  1.00  0.00           C  
HETATM   17  O   UNL     1     -12.797   4.390   0.646  1.00  0.00           O  
HETATM   18  C   UNL     1     -13.808   6.532   0.662  1.00  0.00           C  
HETATM   19  O   UNL     1     -14.817   7.190   1.430  1.00  0.00           O  
HETATM   20  O   UNL     1     -15.873   5.788  -0.415  1.00  0.00           O  
HETATM   21  P   UNL     1     -16.750   6.323  -1.655  1.00  0.00           P  
HETATM   22  O   UNL     1     -16.442   5.520  -2.859  1.00  0.00           O  
HETATM   23  O   UNL     1     -18.315   6.186  -1.304  1.00  0.00           O  
HETATM   24  O   UNL     1     -16.396   7.868  -1.935  1.00  0.00           O  
HETATM   25  N   UNL     1     -11.791   6.069   2.013  1.00  0.00           N  
HETATM   26  C   UNL     1     -10.577   5.974   1.401  1.00  0.00           C  
HETATM   27  N   UNL     1      -9.674   6.594   2.104  1.00  0.00           N  
HETATM   28  C   UNL     1     -10.250   7.125   3.210  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.786   7.879   4.300  1.00  0.00           C  
HETATM   30  N   UNL     1      -8.452   8.235   4.399  1.00  0.00           N  
HETATM   31  N   UNL     1     -10.657   8.243   5.235  1.00  0.00           N  
HETATM   32  C   UNL     1     -11.932   7.909   5.150  1.00  0.00           C  
HETATM   33  N   UNL     1     -12.411   7.204   4.147  1.00  0.00           N  
HETATM   34  C   UNL     1     -11.616   6.800   3.162  1.00  0.00           C  
HETATM   35  C   UNL     1     -13.373  -6.533   0.143  1.00  0.00           C  
HETATM   36  O   UNL     1     -14.537  -6.842  -0.626  1.00  0.00           O  
HETATM   37  C   UNL     1     -12.147  -7.029  -0.580  1.00  0.00           C  
HETATM   38  O   UNL     1     -12.238  -7.438  -1.717  1.00  0.00           O  
HETATM   39  N   UNL     1     -10.949  -7.017   0.039  1.00  0.00           N  
HETATM   40  C   UNL     1      -9.742  -7.407  -0.694  1.00  0.00           C  
HETATM   41  C   UNL     1      -8.528  -7.306   0.232  1.00  0.00           C  
HETATM   42  C   UNL     1      -7.287  -7.707  -0.523  1.00  0.00           C  
HETATM   43  O   UNL     1      -7.365  -8.040  -1.686  1.00  0.00           O  
HETATM   44  N   UNL     1      -6.089  -7.695   0.096  1.00  0.00           N  
HETATM   45  C   UNL     1      -4.883  -8.085  -0.637  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.669  -7.984   0.288  1.00  0.00           C  
HETATM   47  S   UNL     1      -2.174  -8.467  -0.620  1.00  0.00           S  
HETATM   48  S   UNL     1      -1.915  -6.918  -1.938  1.00  0.00           S  
HETATM   49  C   UNL     1      -0.997  -5.698  -0.958  1.00  0.00           C  
HETATM   50  C   UNL     1       0.424  -6.209  -0.709  1.00  0.00           C  
HETATM   51  N   UNL     1       1.165  -5.223   0.082  1.00  0.00           N  
HETATM   52  C   UNL     1       2.447  -5.461   0.424  1.00  0.00           C  
HETATM   53  O   UNL     1       2.987  -6.490   0.077  1.00  0.00           O  
HETATM   54  C   UNL     1       3.210  -4.447   1.237  1.00  0.00           C  
HETATM   55  C   UNL     1       4.630  -4.958   1.486  1.00  0.00           C  
HETATM   56  N   UNL     1       5.372  -3.973   2.277  1.00  0.00           N  
HETATM   57  C   UNL     1       6.654  -4.210   2.619  1.00  0.00           C  
HETATM   58  O   UNL     1       7.222  -5.193   2.195  1.00  0.00           O  
HETATM   59  C   UNL     1       7.380  -3.253   3.529  1.00  0.00           C  
HETATM   60  O   UNL     1       6.463  -2.274   4.021  1.00  0.00           O  
HETATM   61  C   UNL     1       8.499  -2.559   2.751  1.00  0.00           C  
HETATM   62  C   UNL     1       9.530  -3.597   2.304  1.00  0.00           C  
HETATM   63  C   UNL     1       7.910  -1.863   1.522  1.00  0.00           C  
HETATM   64  C   UNL     1       9.177  -1.521   3.648  1.00  0.00           C  
HETATM   65  O   UNL     1      10.222  -0.872   2.920  1.00  0.00           O  
HETATM   66  P   UNL     1      11.148   0.280   3.557  1.00  0.00           P  
HETATM   67  O   UNL     1      11.774  -0.220   4.801  1.00  0.00           O  
HETATM   68  O   UNL     1      10.245   1.571   3.892  1.00  0.00           O  
HETATM   69  O   UNL     1      12.296   0.688   2.504  1.00  0.00           O  
HETATM   70  P   UNL     1      13.722   1.424   2.634  1.00  0.00           P  
HETATM   71  O   UNL     1      14.463   0.865   3.787  1.00  0.00           O  
HETATM   72  O   UNL     1      13.494   3.002   2.858  1.00  0.00           O  
HETATM   73  O   UNL     1      14.572   1.191   1.286  1.00  0.00           O  
HETATM   74  C   UNL     1      15.922   1.631   1.131  1.00  0.00           C  
HETATM   75  C   UNL     1      16.426   1.251  -0.262  1.00  0.00           C  
HETATM   76  O   UNL     1      15.704   1.990  -1.262  1.00  0.00           O  
HETATM   77  C   UNL     1      16.628   2.256  -2.339  1.00  0.00           C  
HETATM   78  C   UNL     1      17.950   2.598  -1.605  1.00  0.00           C  
HETATM   79  O   UNL     1      19.079   2.336  -2.440  1.00  0.00           O  
HETATM   80  C   UNL     1      17.914   1.625  -0.402  1.00  0.00           C  
HETATM   81  O   UNL     1      18.699   0.462  -0.676  1.00  0.00           O  
HETATM   82  P   UNL     1      19.888  -0.040   0.287  1.00  0.00           P  
HETATM   83  O   UNL     1      20.856   1.061   0.490  1.00  0.00           O  
HETATM   84  O   UNL     1      19.276  -0.485   1.708  1.00  0.00           O  
HETATM   85  O   UNL     1      20.635  -1.294  -0.393  1.00  0.00           O  
HETATM   86  N   UNL     1      16.172   3.394  -3.140  1.00  0.00           N  
HETATM   87  C   UNL     1      15.340   4.391  -2.725  1.00  0.00           C  
HETATM   88  N   UNL     1      15.145   5.239  -3.692  1.00  0.00           N  
HETATM   89  C   UNL     1      15.838   4.842  -4.787  1.00  0.00           C  
HETATM   90  C   UNL     1      16.005   5.346  -6.087  1.00  0.00           C  
HETATM   91  N   UNL     1      15.373   6.513  -6.481  1.00  0.00           N  
HETATM   92  N   UNL     1      16.784   4.677  -6.931  1.00  0.00           N  
HETATM   93  C   UNL     1      17.391   3.563  -6.564  1.00  0.00           C  
HETATM   94  N   UNL     1      17.264   3.054  -5.357  1.00  0.00           N  
HETATM   95  C   UNL     1      16.510   3.657  -4.444  1.00  0.00           C  
HETATM   96  H   UNL     1     -14.770   3.727   0.451  1.00  0.00           H  
HETATM   97  H   UNL     1     -13.673   5.185   2.369  1.00  0.00           H  
HETATM   98  H   UNL     1     -14.073   5.988  -1.433  1.00  0.00           H  
HETATM   99  H   UNL     1     -12.277  -5.236   2.230  1.00  0.00           H  
HETATM  100  H   UNL     1     -11.183  -5.004   0.846  1.00  0.00           H  
HETATM  101  H   UNL     1     -12.107  -3.626   1.491  1.00  0.00           H  
HETATM  102  H   UNL     1     -14.546  -3.405   0.983  1.00  0.00           H  
HETATM  103  H   UNL     1     -15.415  -4.782   0.267  1.00  0.00           H  
HETATM  104  H   UNL     1     -14.741  -4.912   1.909  1.00  0.00           H  
HETATM  105  H   UNL     1     -12.075  -4.725  -1.431  1.00  0.00           H  
HETATM  106  H   UNL     1     -13.828  -4.578  -1.701  1.00  0.00           H  
HETATM  107  H   UNL     1     -10.462  -2.063  -2.021  1.00  0.00           H  
HETATM  108  H   UNL     1     -10.856   1.566  -2.400  1.00  0.00           H  
HETATM  109  H   UNL     1     -12.895   3.950  -1.957  1.00  0.00           H  
HETATM  110  H   UNL     1     -14.604   3.460  -2.050  1.00  0.00           H  
HETATM  111  H   UNL     1     -13.114   7.258   0.240  1.00  0.00           H  
HETATM  112  H   UNL     1     -14.475   7.691   2.184  1.00  0.00           H  
HETATM  113  H   UNL     1     -18.904   6.491  -2.007  1.00  0.00           H  
HETATM  114  H   UNL     1     -16.573   8.454  -1.187  1.00  0.00           H  
HETATM  115  H   UNL     1     -10.392   5.460   0.470  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.825   7.963   3.710  1.00  0.00           H  
HETATM  117  H   UNL     1      -8.143   8.755   5.157  1.00  0.00           H  
HETATM  118  H   UNL     1     -12.606   8.226   5.932  1.00  0.00           H  
HETATM  119  H   UNL     1     -13.442  -7.018   1.117  1.00  0.00           H  
HETATM  120  H   UNL     1     -14.543  -6.443  -1.507  1.00  0.00           H  
HETATM  121  H   UNL     1     -10.887  -6.751   0.970  1.00  0.00           H  
HETATM  122  H   UNL     1      -9.847  -8.433  -1.047  1.00  0.00           H  
HETATM  123  H   UNL     1      -9.605  -6.742  -1.547  1.00  0.00           H  
HETATM  124  H   UNL     1      -8.424  -6.280   0.584  1.00  0.00           H  
HETATM  125  H   UNL     1      -8.666  -7.971   1.084  1.00  0.00           H  
HETATM  126  H   UNL     1      -6.027  -7.429   1.026  1.00  0.00           H  
HETATM  127  H   UNL     1      -4.987  -9.111  -0.990  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.745  -7.420  -1.490  1.00  0.00           H  
HETATM  129  H   UNL     1      -3.564  -6.958   0.641  1.00  0.00           H  
HETATM  130  H   UNL     1      -3.806  -8.649   1.141  1.00  0.00           H  
HETATM  131  H   UNL     1      -0.954  -4.754  -1.501  1.00  0.00           H  
HETATM  132  H   UNL     1      -1.500  -5.545  -0.004  1.00  0.00           H  
HETATM  133  H   UNL     1       0.381  -7.153  -0.166  1.00  0.00           H  
HETATM  134  H   UNL     1       0.927  -6.361  -1.664  1.00  0.00           H  
HETATM  135  H   UNL     1       0.734  -4.400   0.359  1.00  0.00           H  
HETATM  136  H   UNL     1       3.253  -3.503   0.694  1.00  0.00           H  
HETATM  137  H   UNL     1       2.706  -4.294   2.192  1.00  0.00           H  
HETATM  138  H   UNL     1       4.588  -5.902   2.029  1.00  0.00           H  
HETATM  139  H   UNL     1       5.134  -5.111   0.532  1.00  0.00           H  
HETATM  140  H   UNL     1       4.940  -3.149   2.555  1.00  0.00           H  
HETATM  141  H   UNL     1       7.808  -3.803   4.368  1.00  0.00           H  
HETATM  142  H   UNL     1       6.043  -1.746   3.328  1.00  0.00           H  
HETATM  143  H   UNL     1       9.084  -4.253   1.556  1.00  0.00           H  
HETATM  144  H   UNL     1      10.394  -3.090   1.874  1.00  0.00           H  
HETATM  145  H   UNL     1       9.846  -4.188   3.163  1.00  0.00           H  
HETATM  146  H   UNL     1       7.175  -1.124   1.840  1.00  0.00           H  
HETATM  147  H   UNL     1       8.707  -1.369   0.967  1.00  0.00           H  
HETATM  148  H   UNL     1       7.427  -2.603   0.883  1.00  0.00           H  
HETATM  149  H   UNL     1       8.442  -0.781   3.966  1.00  0.00           H  
HETATM  150  H   UNL     1       9.597  -2.016   4.523  1.00  0.00           H  
HETATM  151  H   UNL     1       9.803   1.952   3.122  1.00  0.00           H  
HETATM  152  H   UNL     1      13.013   3.436   2.140  1.00  0.00           H  
HETATM  153  H   UNL     1      15.967   2.714   1.251  1.00  0.00           H  
HETATM  154  H   UNL     1      16.548   1.156   1.887  1.00  0.00           H  
HETATM  155  H   UNL     1      16.294   0.181  -0.425  1.00  0.00           H  
HETATM  156  H   UNL     1      16.754   1.371  -2.964  1.00  0.00           H  
HETATM  157  H   UNL     1      17.950   3.635  -1.268  1.00  0.00           H  
HETATM  158  H   UNL     1      19.097   2.859  -3.253  1.00  0.00           H  
HETATM  159  H   UNL     1      18.269   2.122   0.501  1.00  0.00           H  
HETATM  160  H   UNL     1      18.632  -1.204   1.651  1.00  0.00           H  
HETATM  161  H   UNL     1      21.365  -1.649   0.133  1.00  0.00           H  
HETATM  162  H   UNL     1      14.906   4.465  -1.739  1.00  0.00           H  
HETATM  163  H   UNL     1      14.807   6.993  -5.856  1.00  0.00           H  
HETATM  164  H   UNL     1      15.496   6.851  -7.382  1.00  0.00           H  
HETATM  165  H   UNL     1      18.015   3.051  -7.282  1.00  0.00           H  
HETATM  166  C   UNL     1     -14.004   4.238  -0.133  1.00  0.00           C  
CONECT    1   17   18   25   97                                       
CONECT    2  166   18   20   98                                       
CONECT    3    4   99  100  101                                       
CONECT    4    3    5    6   35                                       
CONECT    5    4  102  103  104                                       
CONECT    6    4    7  105  106                                       
CONECT    7    6    8                                                 
CONECT    8    7    9    9   10                                       
CONECT    8   11                                                      
CONECT    9    8    8                                                 
CONECT   10    8  107                                                 
CONECT   11    8   12                                                 
CONECT   12   11   13   13   14                                       
CONECT   12   15                                                      
CONECT   13   12   12                                                 
CONECT   14   12  108                                                 
CONECT   15   12   16                                                 
CONECT   16  166   15  109  110                                       
CONECT   17    1  166                                                 
CONECT   18    1    2   19  111                                       
CONECT   19   18  112                                                 
CONECT   20    2   21                                                 
CONECT   21   20   22   22   23                                       
CONECT   21   24                                                      
CONECT   22   21   21                                                 
CONECT   23   21  113                                                 
CONECT   24   21  114                                                 
CONECT   25    1   26   34                                            
CONECT   26   25   27   27  115                                       
CONECT   27   26   26   28                                            
CONECT   28   27   29   29   34                                       
CONECT   29   28   28   30   31                                       
CONECT   30   29  116  117                                            
CONECT   31   29   32   32                                            
CONECT   32   31   31   33  118                                       
CONECT   33   32   34   34                                            
CONECT   34   25   28   33   33                                       
CONECT   35    4   36   37  119                                       
CONECT   36   35  120                                                 
CONECT   37   35   38   38   39                                       
CONECT   38   37   37                                                 
CONECT   39   37   40  121                                            
CONECT   40   39   41  122  123                                       
CONECT   41   40   42  124  125                                       
CONECT   42   41   43   43   44                                       
CONECT   43   42   42                                                 
CONECT   44   42   45  126                                            
CONECT   45   44   46  127  128                                       
CONECT   46   45   47  129  130                                       
CONECT   47   46   48                                                 
CONECT   48   47   49                                                 
CONECT   49   48   50  131  132                                       
CONECT   50   49   51  133  134                                       
CONECT   51   50   52  135                                            
CONECT   52   51   53   53   54                                       
CONECT   53   52   52                                                 
CONECT   54   52   55  136  137                                       
CONECT   55   54   56  138  139                                       
CONECT   56   55   57  140                                            
CONECT   57   56   58   58   59                                       
CONECT   58   57   57                                                 
CONECT   59   57   60   61  141                                       
CONECT   60   59  142                                                 
CONECT   61   59   62   63   64                                       
CONECT   62   61  143  144  145                                       
CONECT   63   61  146  147  148                                       
CONECT   64   61   65  149  150                                       
CONECT   65   64   66                                                 
CONECT   66   65   67   67   68                                       
CONECT   66   69                                                      
CONECT   67   66   66                                                 
CONECT   68   66  151                                                 
CONECT   69   66   70                                                 
CONECT   70   69   71   71   72                                       
CONECT   70   73                                                      
CONECT   71   70   70                                                 
CONECT   72   70  152                                                 
CONECT   73   70   74                                                 
CONECT   74   73   75  153  154                                       
CONECT   75   74   76   80  155                                       
CONECT   76   75   77                                                 
CONECT   77   76   78   86  156                                       
CONECT   78   77   79   80  157                                       
CONECT   79   78  158                                                 
CONECT   80   75   78   81  159                                       
CONECT   81   80   82                                                 
CONECT   82   81   83   83   84                                       
CONECT   82   85                                                      
CONECT   83   82   82                                                 
CONECT   84   82  160                                                 
CONECT   85   82  161                                                 
CONECT   86   77   87   95                                            
CONECT   87   86   88   88  162                                       
CONECT   88   87   87   89                                            
CONECT   89   88   90   90   95                                       
CONECT   90   89   89   91   92                                       
CONECT   91   90  163  164                                            
CONECT   92   90   93   93                                            
CONECT   93   92   92   94  165                                       
CONECT   94   93   95   95                                            
CONECT   95   86   89   94   94                                       
CONECT   96  166                                                      
CONECT   97    1                                                      
CONECT   98    2                                                      
CONECT   99    3                                                      
CONECT  100    3                                                      
CONECT  101    3                                                      
CONECT  102    5                                                      
CONECT  103    5                                                      
CONECT  104    5                                                      
CONECT  105    6                                                      
CONECT  106    6                                                      
CONECT  107   10                                                      
CONECT  108   14                                                      
CONECT  109   16                                                      
CONECT  110   16                                                      
CONECT  111   18                                                      
CONECT  112   19                                                      
CONECT  113   23                                                      
CONECT  114   24                                                      
CONECT  115   26                                                      
CONECT  116   30                                                      
CONECT  117   30                                                      
CONECT  118   32                                                      
CONECT  119   35                                                      
CONECT  120   36                                                      
CONECT  121   39                                                      
CONECT  122   40                                                      
CONECT  123   40                                                      
CONECT  124   41                                                      
CONECT  125   41                                                      
CONECT  126   44                                                      
CONECT  127   45                                                      
CONECT  128   45                                                      
CONECT  129   46                                                      
CONECT  130   46                                                      
CONECT  131   49                                                      
CONECT  132   49                                                      
CONECT  133   50                                                      
CONECT  134   50                                                      
CONECT  135   51                                                      
CONECT  136   54                                                      
CONECT  137   54                                                      
CONECT  138   55                                                      
CONECT  139   55                                                      
CONECT  140   56                                                      
CONECT  141   59                                                      
CONECT  142   60                                                      
CONECT  143   62                                                      
CONECT  144   62                                                      
CONECT  145   62                                                      
CONECT  146   63                                                      
CONECT  147   63                                                      
CONECT  148   63                                                      
CONECT  149   64                                                      
CONECT  150   64                                                      
CONECT  151   68                                                      
CONECT  152   72                                                      
CONECT  153   74                                                      
CONECT  154   74                                                      
CONECT  155   75                                                      
CONECT  156   77                                                      
CONECT  157   78                                                      
CONECT  158   79                                                      
CONECT  159   80                                                      
CONECT  160   84                                                      
CONECT  161   85                                                      
CONECT  162   87                                                      
CONECT  163   91                                                      
CONECT  164   91                                                      
CONECT  165   93                                                      
CONECT  166    2   16   96   17                                       
MASTER        0    0    0    0    0    0    0    0  166    0  166    0
END
