COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -9.944   7.208   0.766  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.697   7.640   0.283  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.241   8.913   0.667  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.047   5.655  -0.516  1.00  0.00           C  
HETATM    5  N   UNL     1      -9.009   9.646   1.466  1.00  0.00           N  
HETATM    6  N   UNL     1     -10.642   8.013   1.561  1.00  0.00           N  
HETATM    7  C   UNL     1     -11.300   5.091   0.472  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.175   9.197   1.894  1.00  0.00           C  
HETATM    9  C   UNL     1     -12.436   5.441  -0.522  1.00  0.00           C  
HETATM   10  C   UNL     1     -13.234   4.116  -0.582  1.00  0.00           C  
HETATM   11  C   UNL     1     -12.232   3.050  -0.098  1.00  0.00           C  
HETATM   12  C   UNL     1     -12.042   1.985  -1.180  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.449  -5.084   2.342  1.00  0.00           C  
HETATM   14  C   UNL     1      19.296   0.157  -0.518  1.00  0.00           C  
HETATM   15  C   UNL     1      17.922   0.169   0.156  1.00  0.00           C  
HETATM   16  C   UNL     1      20.266   1.025   0.286  1.00  0.00           C  
HETATM   17  C   UNL     1      16.952  -0.698  -0.649  1.00  0.00           C  
HETATM   18  C   UNL     1      21.640   1.013  -0.388  1.00  0.00           C  
HETATM   19  C   UNL     1      15.578  -0.686   0.025  1.00  0.00           C  
HETATM   20  C   UNL     1      22.610   1.880   0.417  1.00  0.00           C  
HETATM   21  C   UNL     1      14.608  -1.553  -0.779  1.00  0.00           C  
HETATM   22  C   UNL     1      23.984   1.868  -0.257  1.00  0.00           C  
HETATM   23  C   UNL     1      13.234  -1.541  -0.105  1.00  0.00           C  
HETATM   24  C   UNL     1      24.954   2.735   0.547  1.00  0.00           C  
HETATM   25  C   UNL     1      12.264  -2.408  -0.910  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.765  -4.861   0.861  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.095  -6.555   2.571  1.00  0.00           C  
HETATM   28  C   UNL     1      26.328   2.723  -0.127  1.00  0.00           C  
HETATM   29  C   UNL     1      10.890  -2.396  -0.235  1.00  0.00           C  
HETATM   30  C   UNL     1      27.298   3.590   0.678  1.00  0.00           C  
HETATM   31  C   UNL     1       9.920  -3.263  -1.040  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.265  -4.205   2.748  1.00  0.00           C  
HETATM   33  C   UNL     1      -9.671  -4.716   3.185  1.00  0.00           C  
HETATM   34  C   UNL     1      28.671   3.578   0.004  1.00  0.00           C  
HETATM   35  C   UNL     1       8.546  -3.251  -0.366  1.00  0.00           C  
HETATM   36  C   UNL     1      29.642   4.445   0.808  1.00  0.00           C  
HETATM   37  C   UNL     1       7.576  -4.118  -1.170  1.00  0.00           C  
HETATM   38  C   UNL     1      -6.982  -6.955   1.638  1.00  0.00           C  
HETATM   39  C   UNL     1      31.015   4.433   0.134  1.00  0.00           C  
HETATM   40  C   UNL     1       6.202  -4.106  -0.496  1.00  0.00           C  
HETATM   41  C   UNL     1      31.986   5.300   0.939  1.00  0.00           C  
HETATM   42  C   UNL     1       5.232  -4.973  -1.301  1.00  0.00           C  
HETATM   43  C   UNL     1      -4.689  -6.754   0.837  1.00  0.00           C  
HETATM   44  C   UNL     1      33.360   5.288   0.265  1.00  0.00           C  
HETATM   45  C   UNL     1      -3.396  -6.048   1.251  1.00  0.00           C  
HETATM   46  C   UNL     1       3.879  -4.962  -0.637  1.00  0.00           C  
HETATM   47  C   UNL     1      -2.308  -6.370   0.260  1.00  0.00           C  
HETATM   48  C   UNL     1       1.277  -5.463  -0.127  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.016  -6.169  -0.541  1.00  0.00           C  
HETATM   50  N   UNL     1      -7.021   9.391   0.223  1.00  0.00           N  
HETATM   51  N   UNL     1      -8.203   6.645  -0.492  1.00  0.00           N  
HETATM   52  N   UNL     1     -10.135   5.952   0.249  1.00  0.00           N  
HETATM   53  N   UNL     1      -5.747  -6.440   1.801  1.00  0.00           N  
HETATM   54  N   UNL     1      -1.074  -5.855   0.423  1.00  0.00           N  
HETATM   55  O   UNL     1     -13.248   6.503  -0.016  1.00  0.00           O  
HETATM   56  O   UNL     1     -14.366   4.174   0.287  1.00  0.00           O  
HETATM   57  O   UNL     1     -10.985   3.718   0.155  1.00  0.00           O  
HETATM   58  O   UNL     1     -11.190   0.950  -0.685  1.00  0.00           O  
HETATM   59  O   UNL     1     -16.069   2.478  -0.779  1.00  0.00           O  
HETATM   60  O   UNL     1     -16.899   4.236   0.990  1.00  0.00           O  
HETATM   61  O   UNL     1     -16.157   4.942  -1.317  1.00  0.00           O  
HETATM   62  O   UNL     1      -9.921  -1.352  -0.647  1.00  0.00           O  
HETATM   63  O   UNL     1     -11.995  -1.018  -2.046  1.00  0.00           O  
HETATM   64  O   UNL     1      -9.884   0.134  -2.815  1.00  0.00           O  
HETATM   65  O   UNL     1      -9.095  -3.487   0.647  1.00  0.00           O  
HETATM   66  O   UNL     1      -9.244  -7.366   2.319  1.00  0.00           O  
HETATM   67  O   UNL     1     -10.608  -3.672  -1.365  1.00  0.00           O  
HETATM   68  O   UNL     1      -8.212  -2.997  -1.781  1.00  0.00           O  
HETATM   69  O   UNL     1      -7.197  -7.741   0.740  1.00  0.00           O  
HETATM   70  O   UNL     1       3.708  -4.322   0.380  1.00  0.00           O  
HETATM   71  O   UNL     1      -2.544  -7.093  -0.685  1.00  0.00           O  
HETATM   72  P   UNL     1     -15.879   3.979  -0.228  1.00  0.00           P  
HETATM   73  P   UNL     1     -10.774  -0.337  -1.559  1.00  0.00           P  
HETATM   74  P   UNL     1      -9.484  -2.894  -0.799  1.00  0.00           P  
HETATM   75  S   UNL     1       2.584  -5.850  -1.318  1.00  0.00           S  
HETATM   76  H   UNL     1      -8.906   4.733  -1.061  1.00  0.00           H  
HETATM   77  H   UNL     1     -11.649   5.179   1.501  1.00  0.00           H  
HETATM   78  H   UNL     1     -10.767   9.826   2.543  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.031   5.697  -1.501  1.00  0.00           H  
HETATM   80  H   UNL     1     -13.549   3.907  -1.604  1.00  0.00           H  
HETATM   81  H   UNL     1     -12.597   2.588   0.820  1.00  0.00           H  
HETATM   82  H   UNL     1     -13.010   1.562  -1.448  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.587   2.439  -2.060  1.00  0.00           H  
HETATM   84  H   UNL     1      19.671  -0.865  -0.560  1.00  0.00           H  
HETATM   85  H   UNL     1      19.208   0.554  -1.530  1.00  0.00           H  
HETATM   86  H   UNL     1      18.010  -0.227   1.168  1.00  0.00           H  
HETATM   87  H   UNL     1      17.547   1.192   0.198  1.00  0.00           H  
HETATM   88  H   UNL     1      19.891   2.047   0.328  1.00  0.00           H  
HETATM   89  H   UNL     1      20.354   0.628   1.298  1.00  0.00           H  
HETATM   90  H   UNL     1      16.864  -0.301  -1.660  1.00  0.00           H  
HETATM   91  H   UNL     1      17.327  -1.720  -0.690  1.00  0.00           H  
HETATM   92  H   UNL     1      22.015  -0.010  -0.429  1.00  0.00           H  
HETATM   93  H   UNL     1      21.551   1.409  -1.399  1.00  0.00           H  
HETATM   94  H   UNL     1      15.667  -1.082   1.037  1.00  0.00           H  
HETATM   95  H   UNL     1      15.203   0.337   0.067  1.00  0.00           H  
HETATM   96  H   UNL     1      22.235   2.902   0.459  1.00  0.00           H  
HETATM   97  H   UNL     1      22.698   1.484   1.429  1.00  0.00           H  
HETATM   98  H   UNL     1      14.520  -1.157  -1.791  1.00  0.00           H  
HETATM   99  H   UNL     1      14.983  -2.575  -0.821  1.00  0.00           H  
HETATM  100  H   UNL     1      24.359   0.845  -0.299  1.00  0.00           H  
HETATM  101  H   UNL     1      23.895   2.264  -1.269  1.00  0.00           H  
HETATM  102  H   UNL     1      13.323  -1.937   0.907  1.00  0.00           H  
HETATM  103  H   UNL     1      12.859  -0.518  -0.063  1.00  0.00           H  
HETATM  104  H   UNL     1      24.579   3.757   0.589  1.00  0.00           H  
HETATM  105  H   UNL     1      25.042   2.339   1.559  1.00  0.00           H  
HETATM  106  H   UNL     1      12.176  -2.012  -1.921  1.00  0.00           H  
HETATM  107  H   UNL     1      12.639  -3.430  -0.951  1.00  0.00           H  
HETATM  108  H   UNL     1      -7.894  -5.123   0.260  1.00  0.00           H  
HETATM  109  H   UNL     1      -9.608  -5.487   0.572  1.00  0.00           H  
HETATM  110  H   UNL     1      -7.772  -6.694   3.603  1.00  0.00           H  
HETATM  111  H   UNL     1      26.703   1.700  -0.168  1.00  0.00           H  
HETATM  112  H   UNL     1      26.239   3.119  -1.138  1.00  0.00           H  
HETATM  113  H   UNL     1      10.979  -2.792   0.776  1.00  0.00           H  
HETATM  114  H   UNL     1      10.515  -1.373  -0.194  1.00  0.00           H  
HETATM  115  H   UNL     1      26.923   4.613   0.720  1.00  0.00           H  
HETATM  116  H   UNL     1      27.386   3.194   1.689  1.00  0.00           H  
HETATM  117  H   UNL     1       9.832  -2.867  -2.052  1.00  0.00           H  
HETATM  118  H   UNL     1      10.295  -4.286  -1.082  1.00  0.00           H  
HETATM  119  H   UNL     1      -7.555  -3.156   2.693  1.00  0.00           H  
HETATM  120  H   UNL     1      -6.966  -4.446   3.769  1.00  0.00           H  
HETATM  121  H   UNL     1      -6.428  -4.386   2.073  1.00  0.00           H  
HETATM  122  H   UNL     1     -10.497  -5.382   2.938  1.00  0.00           H  
HETATM  123  H   UNL     1      -9.426  -4.817   4.242  1.00  0.00           H  
HETATM  124  H   UNL     1      -9.960  -3.686   2.976  1.00  0.00           H  
HETATM  125  H   UNL     1      29.047   2.556  -0.038  1.00  0.00           H  
HETATM  126  H   UNL     1      28.583   3.974  -1.008  1.00  0.00           H  
HETATM  127  H   UNL     1       8.635  -3.647   0.646  1.00  0.00           H  
HETATM  128  H   UNL     1       8.171  -2.229  -0.324  1.00  0.00           H  
HETATM  129  H   UNL     1      29.267   5.468   0.850  1.00  0.00           H  
HETATM  130  H   UNL     1      29.730   4.049   1.820  1.00  0.00           H  
HETATM  131  H   UNL     1       7.488  -3.722  -2.182  1.00  0.00           H  
HETATM  132  H   UNL     1       7.951  -5.141  -1.212  1.00  0.00           H  
HETATM  133  H   UNL     1      31.391   3.411   0.093  1.00  0.00           H  
HETATM  134  H   UNL     1      30.927   4.829  -0.877  1.00  0.00           H  
HETATM  135  H   UNL     1       6.291  -4.502   0.515  1.00  0.00           H  
HETATM  136  H   UNL     1       5.827  -3.084  -0.455  1.00  0.00           H  
HETATM  137  H   UNL     1      31.611   6.323   0.980  1.00  0.00           H  
HETATM  138  H   UNL     1      32.074   4.904   1.950  1.00  0.00           H  
HETATM  139  H   UNL     1       5.144  -4.577  -2.312  1.00  0.00           H  
HETATM  140  H   UNL     1       5.607  -5.996  -1.343  1.00  0.00           H  
HETATM  141  H   UNL     1      -4.988  -6.412  -0.154  1.00  0.00           H  
HETATM  142  H   UNL     1      -4.524  -7.831   0.816  1.00  0.00           H  
HETATM  143  H   UNL     1      33.735   4.266   0.223  1.00  0.00           H  
HETATM  144  H   UNL     1      33.271   5.684  -0.747  1.00  0.00           H  
HETATM  145  H   UNL     1      34.051   5.906   0.838  1.00  0.00           H  
HETATM  146  H   UNL     1      -3.561  -4.971   1.273  1.00  0.00           H  
HETATM  147  H   UNL     1      -3.098  -6.389   2.242  1.00  0.00           H  
HETATM  148  H   UNL     1       1.112  -4.386  -0.106  1.00  0.00           H  
HETATM  149  H   UNL     1       1.576  -5.804   0.864  1.00  0.00           H  
HETATM  150  H   UNL     1      -0.315  -5.827  -1.532  1.00  0.00           H  
HETATM  151  H   UNL     1       0.149  -7.246  -0.562  1.00  0.00           H  
HETATM  152  H   UNL     1      -6.469   8.846  -0.359  1.00  0.00           H  
HETATM  153  H   UNL     1      -6.717  10.271   0.495  1.00  0.00           H  
HETATM  154  H   UNL     1      -5.559  -5.862   2.557  1.00  0.00           H  
HETATM  155  H   UNL     1      -0.885  -5.277   1.179  1.00  0.00           H  
HETATM  156  H   UNL     1     -12.769   7.331   0.125  1.00  0.00           H  
HETATM  157  H   UNL     1     -15.902   1.792  -0.117  1.00  0.00           H  
HETATM  158  H   UNL     1     -17.830   4.136   0.751  1.00  0.00           H  
HETATM  159  H   UNL     1      -9.067   0.589  -2.570  1.00  0.00           H  
HETATM  160  H   UNL     1      -9.587  -7.293   1.418  1.00  0.00           H  
HETATM  161  H   UNL     1      -7.436  -2.510  -1.471  1.00  0.00           H  
CONECT    1   52    2    2    6                                       
CONECT    2   51    1    1    3                                       
CONECT    3    2   50    5    5                                       
CONECT    4   52   51   51   76                                       
CONECT    5    3    3    8                                            
CONECT    6    1    8    8                                            
CONECT    7   57    9   52   77                                       
CONECT    8    6    6    5   78                                       
CONECT    9   10    7   55   79                                       
CONECT   10   11   56    9   80                                       
CONECT   11   12   57   10   81                                       
CONECT   12   58   11   82   83                                       
CONECT   13   33   27   26   32                                       
CONECT   14   16   15   84   85                                       
CONECT   15   14   17   86   87                                       
CONECT   16   18   14   88   89                                       
CONECT   17   15   19   90   91                                       
CONECT   18   20   16   92   93                                       
CONECT   19   17   21   94   95                                       
CONECT   20   22   18   96   97                                       
CONECT   21   19   23   98   99                                       
CONECT   22   24   20  100  101                                       
CONECT   23   21   25  102  103                                       
CONECT   24   28   22  104  105                                       
CONECT   25   23   29  106  107                                       
CONECT   26   13   65  108  109                                       
CONECT   27   38   66   13  110                                       
CONECT   28   30   24  111  112                                       
CONECT   29   25   31  113  114                                       
CONECT   30   34   28  115  116                                       
CONECT   31   29   35  117  118                                       
CONECT   32   13  119  120  121                                       
CONECT   33   13  122  123  124                                       
CONECT   34   36   30  125  126                                       
CONECT   35   31   37  127  128                                       
CONECT   36   39   34  129  130                                       
CONECT   37   35   40  131  132                                       
CONECT   38   69   69   53   27                                       
CONECT   39   41   36  133  134                                       
CONECT   40   37   42  135  136                                       
CONECT   41   44   39  137  138                                       
CONECT   42   40   46  139  140                                       
CONECT   43   45   53  141  142                                       
CONECT   44   41  143  144  145                                       
CONECT   45   47   43  146  147                                       
CONECT   46   42   70   70   75                                       
CONECT   47   54   71   71   45                                       
CONECT   48   49   75  148  149                                       
CONECT   49   48   54  150  151                                       
CONECT   50    3  152  153                                            
CONECT   51    4    4    2                                            
CONECT   52    7    4    1                                            
CONECT   53   43   38  154                                            
CONECT   54   49   47  155                                            
CONECT   55    9  156                                                 
CONECT   56   10   72                                                 
CONECT   57   11    7                                                 
CONECT   58   73   12                                                 
CONECT   59   72  157                                                 
CONECT   60   72  158                                                 
CONECT   61   72   72                                                 
CONECT   62   74   73                                                 
CONECT   63   73   73                                                 
CONECT   64   73  159                                                 
CONECT   65   26   74                                                 
CONECT   66   27  160                                                 
CONECT   67   74   74                                                 
CONECT   68   74  161                                                 
CONECT   69   38   38                                                 
CONECT   70   46   46                                                 
CONECT   71   47   47                                                 
CONECT   72   56   61   61   60                                       
CONECT   72   59                                                      
CONECT   73   62   63   63   58                                       
CONECT   73   64                                                      
CONECT   74   67   67   65   62                                       
CONECT   74   68                                                      
CONECT   75   46   48                                                 
CONECT   76    4                                                      
CONECT   77    7                                                      
CONECT   78    8                                                      
CONECT   79    9                                                      
CONECT   80   10                                                      
CONECT   81   11                                                      
CONECT   82   12                                                      
CONECT   83   12                                                      
CONECT   84   14                                                      
CONECT   85   14                                                      
CONECT   86   15                                                      
CONECT   87   15                                                      
CONECT   88   16                                                      
CONECT   89   16                                                      
CONECT   90   17                                                      
CONECT   91   17                                                      
CONECT   92   18                                                      
CONECT   93   18                                                      
CONECT   94   19                                                      
CONECT   95   19                                                      
CONECT   96   20                                                      
CONECT   97   20                                                      
CONECT   98   21                                                      
CONECT   99   21                                                      
CONECT  100   22                                                      
CONECT  101   22                                                      
CONECT  102   23                                                      
CONECT  103   23                                                      
CONECT  104   24                                                      
CONECT  105   24                                                      
CONECT  106   25                                                      
CONECT  107   25                                                      
CONECT  108   26                                                      
CONECT  109   26                                                      
CONECT  110   27                                                      
CONECT  111   28                                                      
CONECT  112   28                                                      
CONECT  113   29                                                      
CONECT  114   29                                                      
CONECT  115   30                                                      
CONECT  116   30                                                      
CONECT  117   31                                                      
CONECT  118   31                                                      
CONECT  119   32                                                      
CONECT  120   32                                                      
CONECT  121   32                                                      
CONECT  122   33                                                      
CONECT  123   33                                                      
CONECT  124   33                                                      
CONECT  125   34                                                      
CONECT  126   34                                                      
CONECT  127   35                                                      
CONECT  128   35                                                      
CONECT  129   36                                                      
CONECT  130   36                                                      
CONECT  131   37                                                      
CONECT  132   37                                                      
CONECT  133   39                                                      
CONECT  134   39                                                      
CONECT  135   40                                                      
CONECT  136   40                                                      
CONECT  137   41                                                      
CONECT  138   41                                                      
CONECT  139   42                                                      
CONECT  140   42                                                      
CONECT  141   43                                                      
CONECT  142   43                                                      
CONECT  143   44                                                      
CONECT  144   44                                                      
CONECT  145   44                                                      
CONECT  146   45                                                      
CONECT  147   45                                                      
CONECT  148   48                                                      
CONECT  149   48                                                      
CONECT  150   49                                                      
CONECT  151   49                                                      
CONECT  152   50                                                      
CONECT  153   50                                                      
CONECT  154   53                                                      
CONECT  155   54                                                      
CONECT  156   55                                                      
CONECT  157   59                                                      
CONECT  158   60                                                      
CONECT  159   64                                                      
CONECT  160   66                                                      
CONECT  161   68                                                      
MASTER        0    0    0    0    0    0    0    0  161    0  161    0
END
