COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.067   4.316  -0.271  1.00  0.00           C  
HETATM    2  C   UNL     1       2.610   3.846  -0.462  1.00  0.00           C  
HETATM    3  C   UNL     1       1.651   5.006  -0.190  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.982   3.853  -1.667  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.433   2.460  -2.110  1.00  0.00           C  
HETATM    6  C   UNL     1      -7.836   2.529  -2.753  1.00  0.00           C  
HETATM    7  C   UNL     1      -8.529   1.230  -2.282  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.463   0.531  -1.410  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.648  -1.381  -0.250  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.390  -3.480  -0.822  1.00  0.00           C  
HETATM   11  C   UNL     1      -9.739  -2.809   1.358  1.00  0.00           C  
HETATM   12  C   UNL     1      -9.119  -1.584   1.059  1.00  0.00           C  
HETATM   13  C   UNL     1      -8.236   0.396   0.989  1.00  0.00           C  
HETATM   14  C   UNL     1       3.701   3.588  -2.525  1.00  0.00           C  
HETATM   15  C   UNL     1       4.811   3.583  -1.421  1.00  0.00           C  
HETATM   16  C   UNL     1       5.141   1.310  -2.114  1.00  0.00           C  
HETATM   17  C   UNL     1       6.598   1.195  -2.566  1.00  0.00           C  
HETATM   18  C   UNL     1       7.440   0.616  -1.427  1.00  0.00           C  
HETATM   19  C   UNL     1       8.910   0.578  -1.849  1.00  0.00           C  
HETATM   20  C   UNL     1       9.753   0.000  -0.711  1.00  0.00           C  
HETATM   21  C   UNL     1      11.223  -0.038  -1.132  1.00  0.00           C  
HETATM   22  C   UNL     1      12.066  -0.617   0.006  1.00  0.00           C  
HETATM   23  C   UNL     1      13.536  -0.654  -0.416  1.00  0.00           C  
HETATM   24  C   UNL     1      14.378  -1.233   0.723  1.00  0.00           C  
HETATM   25  C   UNL     1      15.849  -1.271   0.301  1.00  0.00           C  
HETATM   26  C   UNL     1      16.691  -1.849   1.440  1.00  0.00           C  
HETATM   27  C   UNL     1      18.161  -1.887   1.018  1.00  0.00           C  
HETATM   28  C   UNL     1      19.004  -2.466   2.156  1.00  0.00           C  
HETATM   29  C   UNL     1      20.474  -2.503   1.735  1.00  0.00           C  
HETATM   30  C   UNL     1       3.227   0.096  -1.261  1.00  0.00           C  
HETATM   31  C   UNL     1       2.715  -1.293  -0.877  1.00  0.00           C  
HETATM   32  C   UNL     1       1.271  -1.185  -0.382  1.00  0.00           C  
HETATM   33  C   UNL     1       0.758  -2.575   0.002  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.686  -2.467   0.496  1.00  0.00           C  
HETATM   35  C   UNL     1      -1.845  -1.033   2.089  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.122   0.362   3.545  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.970   1.110   4.844  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.528   2.420   4.840  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.388   3.105   6.032  1.00  0.00           C  
HETATM   40  C   UNL     1      -2.690   2.481   7.228  1.00  0.00           C  
HETATM   41  C   UNL     1      -3.132   1.172   7.232  1.00  0.00           C  
HETATM   42  C   UNL     1      -3.278   0.488   6.040  1.00  0.00           C  
HETATM   43  C   UNL     1      -1.232  -3.847   0.758  1.00  0.00           C  
HETATM   44  C   UNL     1      -1.828  -6.088   0.011  1.00  0.00           C  
HETATM   45  C   UNL     1      -1.792  -6.905  -1.283  1.00  0.00           C  
HETATM   46  C   UNL     1      -3.710  -8.146  -0.553  1.00  0.00           C  
HETATM   47  C   UNL     1      -4.563  -7.454  -1.617  1.00  0.00           C  
HETATM   48  C   UNL     1      -2.289  -9.034  -2.270  1.00  0.00           C  
HETATM   49  C   UNL     1      -2.843 -10.435  -2.004  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.505  -8.915  -0.006  1.00  0.00           C  
HETATM   51  C   UNL     1      -0.061  -9.023  -0.500  1.00  0.00           C  
HETATM   52  N   UNL     1      -8.094  -0.126  -0.262  1.00  0.00           N  
HETATM   53  N   UNL     1      -8.804  -2.348  -1.149  1.00  0.00           N  
HETATM   54  N   UNL     1      -9.849  -3.715   0.393  1.00  0.00           N  
HETATM   55  N   UNL     1     -10.222  -3.065   2.629  1.00  0.00           N  
HETATM   56  N   UNL     1      -8.837  -0.461   1.762  1.00  0.00           N  
HETATM   57  N   UNL     1       4.614  -0.008  -1.736  1.00  0.00           N  
HETATM   58  N   UNL     1      -0.721  -1.685   1.735  1.00  0.00           N  
HETATM   59  N   UNL     1      -1.297  -4.747  -0.243  1.00  0.00           N  
HETATM   60  N   UNL     1      -2.324  -8.250  -1.028  1.00  0.00           N1+
HETATM   61  O   UNL     1       4.569   3.908   1.004  1.00  0.00           O  
HETATM   62  O   UNL     1       0.303   4.535  -0.255  1.00  0.00           O  
HETATM   63  O   UNL     1      -2.323   4.659  -0.295  1.00  0.00           O  
HETATM   64  O   UNL     1      -4.558   5.619   0.702  1.00  0.00           O  
HETATM   65  O   UNL     1      -4.639   3.787  -1.182  1.00  0.00           O  
HETATM   66  O   UNL     1      -7.733   2.552  -4.178  1.00  0.00           O  
HETATM   67  O   UNL     1      -8.875   0.412  -3.401  1.00  0.00           O  
HETATM   68  O   UNL     1      -6.595   1.596  -0.964  1.00  0.00           O  
HETATM   69  O   UNL     1      -3.846   6.135  -1.664  1.00  0.00           O  
HETATM   70  O   UNL     1      -0.903   6.642  -0.944  1.00  0.00           O  
HETATM   71  O   UNL     1      -0.970   6.020   1.501  1.00  0.00           O  
HETATM   72  O   UNL     1       2.471   3.408  -1.819  1.00  0.00           O  
HETATM   73  O   UNL     1       5.030   2.229  -1.015  1.00  0.00           O  
HETATM   74  O   UNL     1      -1.877  -0.314   3.227  1.00  0.00           O  
HETATM   75  O   UNL     1      -2.831  -1.092   1.380  1.00  0.00           O  
HETATM   76  O   UNL     1      -1.612  -4.148   1.869  1.00  0.00           O  
HETATM   77  P   UNL     1      -0.972   5.489  -0.019  1.00  0.00           P  
HETATM   78  P   UNL     1      -3.842   5.073  -0.632  1.00  0.00           P  
HETATM   79  S   UNL     1       4.102   2.062  -3.460  1.00  0.00           S  
HETATM   80  H   UNL     1       4.144   5.397  -0.388  1.00  0.00           H  
HETATM   81  H   UNL     1       2.395   3.021   0.218  1.00  0.00           H  
HETATM   82  H   UNL     1       1.846   5.414   0.802  1.00  0.00           H  
HETATM   83  H   UNL     1       1.800   5.784  -0.939  1.00  0.00           H  
HETATM   84  H   UNL     1      -6.030   4.537  -2.514  1.00  0.00           H  
HETATM   85  H   UNL     1      -6.637   4.213  -0.873  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.715   2.034  -2.810  1.00  0.00           H  
HETATM   87  H   UNL     1      -8.379   3.403  -2.394  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.414   1.463  -1.689  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.904  -0.194  -2.001  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.501  -4.244  -1.577  1.00  0.00           H  
HETATM   91  H   UNL     1      -7.899   1.376   1.293  1.00  0.00           H  
HETATM   92  H   UNL     1       3.711   4.485  -3.144  1.00  0.00           H  
HETATM   93  H   UNL     1       5.723   4.093  -1.731  1.00  0.00           H  
HETATM   94  H   UNL     1       6.658   0.537  -3.433  1.00  0.00           H  
HETATM   95  H   UNL     1       6.975   2.182  -2.832  1.00  0.00           H  
HETATM   96  H   UNL     1       7.332   1.242  -0.541  1.00  0.00           H  
HETATM   97  H   UNL     1       7.101  -0.395  -1.201  1.00  0.00           H  
HETATM   98  H   UNL     1       9.018  -0.048  -2.735  1.00  0.00           H  
HETATM   99  H   UNL     1       9.250   1.589  -2.075  1.00  0.00           H  
HETATM  100  H   UNL     1       9.645   0.626   0.175  1.00  0.00           H  
HETATM  101  H   UNL     1       9.414  -1.011  -0.485  1.00  0.00           H  
HETATM  102  H   UNL     1      11.331  -0.664  -2.018  1.00  0.00           H  
HETATM  103  H   UNL     1      11.563   0.973  -1.358  1.00  0.00           H  
HETATM  104  H   UNL     1      11.958   0.009   0.892  1.00  0.00           H  
HETATM  105  H   UNL     1      11.726  -1.627   0.232  1.00  0.00           H  
HETATM  106  H   UNL     1      13.644  -1.280  -1.302  1.00  0.00           H  
HETATM  107  H   UNL     1      13.875   0.356  -0.641  1.00  0.00           H  
HETATM  108  H   UNL     1      14.271  -0.607   1.609  1.00  0.00           H  
HETATM  109  H   UNL     1      14.039  -2.244   0.949  1.00  0.00           H  
HETATM  110  H   UNL     1      15.957  -1.896  -0.585  1.00  0.00           H  
HETATM  111  H   UNL     1      16.188  -0.260   0.075  1.00  0.00           H  
HETATM  112  H   UNL     1      16.583  -1.223   2.326  1.00  0.00           H  
HETATM  113  H   UNL     1      16.352  -2.860   1.666  1.00  0.00           H  
HETATM  114  H   UNL     1      18.269  -2.513   0.132  1.00  0.00           H  
HETATM  115  H   UNL     1      18.501  -0.876   0.792  1.00  0.00           H  
HETATM  116  H   UNL     1      18.896  -1.840   3.042  1.00  0.00           H  
HETATM  117  H   UNL     1      18.665  -3.476   2.382  1.00  0.00           H  
HETATM  118  H   UNL     1      20.582  -3.129   0.849  1.00  0.00           H  
HETATM  119  H   UNL     1      20.814  -1.492   1.509  1.00  0.00           H  
HETATM  120  H   UNL     1      21.074  -2.915   2.546  1.00  0.00           H  
HETATM  121  H   UNL     1       2.602   0.508  -2.053  1.00  0.00           H  
HETATM  122  H   UNL     1       3.190   0.751  -0.390  1.00  0.00           H  
HETATM  123  H   UNL     1       2.752  -1.948  -1.748  1.00  0.00           H  
HETATM  124  H   UNL     1       3.340  -1.706  -0.085  1.00  0.00           H  
HETATM  125  H   UNL     1       1.233  -0.531   0.488  1.00  0.00           H  
HETATM  126  H   UNL     1       0.645  -0.773  -1.174  1.00  0.00           H  
HETATM  127  H   UNL     1       0.796  -3.229  -0.869  1.00  0.00           H  
HETATM  128  H   UNL     1       1.383  -2.987   0.793  1.00  0.00           H  
HETATM  129  H   UNL     1      -1.294  -1.973  -0.262  1.00  0.00           H  
HETATM  130  H   UNL     1      -3.921  -0.373   3.640  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.368   1.065   2.748  1.00  0.00           H  
HETATM  132  H   UNL     1      -2.292   2.907   3.906  1.00  0.00           H  
HETATM  133  H   UNL     1      -2.042   4.129   6.030  1.00  0.00           H  
HETATM  134  H   UNL     1      -2.576   3.016   8.160  1.00  0.00           H  
HETATM  135  H   UNL     1      -3.368   0.684   8.167  1.00  0.00           H  
HETATM  136  H   UNL     1      -3.624  -0.535   6.043  1.00  0.00           H  
HETATM  137  H   UNL     1      -2.856  -6.011   0.363  1.00  0.00           H  
HETATM  138  H   UNL     1      -1.220  -6.582   0.769  1.00  0.00           H  
HETATM  139  H   UNL     1      -2.399  -6.411  -2.041  1.00  0.00           H  
HETATM  140  H   UNL     1      -0.763  -6.982  -1.635  1.00  0.00           H  
HETATM  141  H   UNL     1      -3.736  -7.565   0.369  1.00  0.00           H  
HETATM  142  H   UNL     1      -4.105  -9.144  -0.363  1.00  0.00           H  
HETATM  143  H   UNL     1      -4.537  -8.035  -2.539  1.00  0.00           H  
HETATM  144  H   UNL     1      -5.592  -7.377  -1.265  1.00  0.00           H  
HETATM  145  H   UNL     1      -4.168  -6.455  -1.806  1.00  0.00           H  
HETATM  146  H   UNL     1      -1.260  -9.111  -2.622  1.00  0.00           H  
HETATM  147  H   UNL     1      -2.897  -8.540  -3.028  1.00  0.00           H  
HETATM  148  H   UNL     1      -2.235 -10.929  -1.246  1.00  0.00           H  
HETATM  149  H   UNL     1      -3.872 -10.358  -1.651  1.00  0.00           H  
HETATM  150  H   UNL     1      -2.818 -11.017  -2.925  1.00  0.00           H  
HETATM  151  H   UNL     1      -1.899  -9.913   0.184  1.00  0.00           H  
HETATM  152  H   UNL     1      -1.530  -8.333   0.916  1.00  0.00           H  
HETATM  153  H   UNL     1       0.334  -8.025  -0.689  1.00  0.00           H  
HETATM  154  H   UNL     1       0.547  -9.517   0.258  1.00  0.00           H  
HETATM  155  H   UNL     1      -0.035  -9.605  -1.422  1.00  0.00           H  
HETATM  156  H   UNL     1     -10.648  -3.915   2.824  1.00  0.00           H  
HETATM  157  H   UNL     1     -10.136  -2.395   3.326  1.00  0.00           H  
HETATM  158  H   UNL     1       4.685  -0.659  -2.503  1.00  0.00           H  
HETATM  159  H   UNL     1       0.066  -1.637   2.300  1.00  0.00           H  
HETATM  160  H   UNL     1      -0.993  -4.506  -1.132  1.00  0.00           H  
HETATM  161  H   UNL     1       4.082   4.276   1.754  1.00  0.00           H  
HETATM  162  H   UNL     1      -4.591   4.974   1.422  1.00  0.00           H  
HETATM  163  H   UNL     1      -8.585   2.595  -4.633  1.00  0.00           H  
HETATM  164  H   UNL     1      -9.496   0.828  -4.015  1.00  0.00           H  
HETATM  165  H   UNL     1      -1.013   5.317   2.164  1.00  0.00           H  
CONECT    1   15   61    2   80                                       
CONECT    2   72    1    3   81                                       
CONECT    3    2   62   82   83                                       
CONECT    4   65    5   84   85                                       
CONECT    5    4    6   68   86                                       
CONECT    6    5    7   66   87                                       
CONECT    7    6    8   67   88                                       
CONECT    8   68    7   52   89                                       
CONECT    9   52   12   12   53                                       
CONECT   10   53   53   54   90                                       
CONECT   11   12   55   54   54                                       
CONECT   12   56    9    9   11                                       
CONECT   13   56   56   52   91                                       
CONECT   14   79   15   72   92                                       
CONECT   15   73   14    1   93                                       
CONECT   16   17   57   79   73                                       
CONECT   17   18   16   94   95                                       
CONECT   18   19   17   96   97                                       
CONECT   19   20   18   98   99                                       
CONECT   20   21   19  100  101                                       
CONECT   21   20   22  102  103                                       
CONECT   22   21   23  104  105                                       
CONECT   23   22   24  106  107                                       
CONECT   24   23   25  108  109                                       
CONECT   25   24   26  110  111                                       
CONECT   26   25   27  112  113                                       
CONECT   27   28   26  114  115                                       
CONECT   28   29   27  116  117                                       
CONECT   29   28  118  119  120                                       
CONECT   30   57   31  121  122                                       
CONECT   31   32   30  123  124                                       
CONECT   32   33   31  125  126                                       
CONECT   33   34   32  127  128                                       
CONECT   34   58   33   43  129                                       
CONECT   35   74   58   75   75                                       
CONECT   36   37   74  130  131                                       
CONECT   37   42   42   38   36                                       
CONECT   38   39   39   37  132                                       
CONECT   39   40   38   38  133                                       
CONECT   40   41   41   39  134                                       
CONECT   41   40   40   42  135                                       
CONECT   42   41   37   37  136                                       
CONECT   43   76   76   34   59                                       
CONECT   44   59   45  137  138                                       
CONECT   45   60   44  139  140                                       
CONECT   46   47   60  141  142                                       
CONECT   47   46  143  144  145                                       
CONECT   48   60   49  146  147                                       
CONECT   49   48  148  149  150                                       
CONECT   50   51   60  151  152                                       
CONECT   51   50  153  154  155                                       
CONECT   52   13    8    9                                            
CONECT   53    9   10   10                                            
CONECT   54   11   11   10                                            
CONECT   55   11  156  157                                            
CONECT   56   13   13   12                                            
CONECT   57   16   30  158                                            
CONECT   58   35   34  159                                            
CONECT   59   43   44  160                                            
CONECT   60   50   46   45   48                                       
CONECT   61    1  161                                                 
CONECT   62    3   77                                                 
CONECT   63   77   78                                                 
CONECT   64   78  162                                                 
CONECT   65   78    4                                                 
CONECT   66    6  163                                                 
CONECT   67    7  164                                                 
CONECT   68    5    8                                                 
CONECT   69   78   78                                                 
CONECT   70   77   77                                                 
CONECT   71   77  165                                                 
CONECT   72   14    2                                                 
CONECT   73   16   15                                                 
CONECT   74   36   35                                                 
CONECT   75   35   35                                                 
CONECT   76   43   43                                                 
CONECT   77   62   70   70   63                                       
CONECT   77   71                                                      
CONECT   78   63   69   69   64                                       
CONECT   78   65                                                      
CONECT   79   16   14                                                 
CONECT   80    1                                                      
CONECT   81    2                                                      
CONECT   82    3                                                      
CONECT   83    3                                                      
CONECT   84    4                                                      
CONECT   85    4                                                      
CONECT   86    5                                                      
CONECT   87    6                                                      
CONECT   88    7                                                      
CONECT   89    8                                                      
CONECT   90   10                                                      
CONECT   91   13                                                      
CONECT   92   14                                                      
CONECT   93   15                                                      
CONECT   94   17                                                      
CONECT   95   17                                                      
CONECT   96   18                                                      
CONECT   97   18                                                      
CONECT   98   19                                                      
CONECT   99   19                                                      
CONECT  100   20                                                      
CONECT  101   20                                                      
CONECT  102   21                                                      
CONECT  103   21                                                      
CONECT  104   22                                                      
CONECT  105   22                                                      
CONECT  106   23                                                      
CONECT  107   23                                                      
CONECT  108   24                                                      
CONECT  109   24                                                      
CONECT  110   25                                                      
CONECT  111   25                                                      
CONECT  112   26                                                      
CONECT  113   26                                                      
CONECT  114   27                                                      
CONECT  115   27                                                      
CONECT  116   28                                                      
CONECT  117   28                                                      
CONECT  118   29                                                      
CONECT  119   29                                                      
CONECT  120   29                                                      
CONECT  121   30                                                      
CONECT  122   30                                                      
CONECT  123   31                                                      
CONECT  124   31                                                      
CONECT  125   32                                                      
CONECT  126   32                                                      
CONECT  127   33                                                      
CONECT  128   33                                                      
CONECT  129   34                                                      
CONECT  130   36                                                      
CONECT  131   36                                                      
CONECT  132   38                                                      
CONECT  133   39                                                      
CONECT  134   40                                                      
CONECT  135   41                                                      
CONECT  136   42                                                      
CONECT  137   44                                                      
CONECT  138   44                                                      
CONECT  139   45                                                      
CONECT  140   45                                                      
CONECT  141   46                                                      
CONECT  142   46                                                      
CONECT  143   47                                                      
CONECT  144   47                                                      
CONECT  145   47                                                      
CONECT  146   48                                                      
CONECT  147   48                                                      
CONECT  148   49                                                      
CONECT  149   49                                                      
CONECT  150   49                                                      
CONECT  151   50                                                      
CONECT  152   50                                                      
CONECT  153   51                                                      
CONECT  154   51                                                      
CONECT  155   51                                                      
CONECT  156   55                                                      
CONECT  157   55                                                      
CONECT  158   57                                                      
CONECT  159   58                                                      
CONECT  160   59                                                      
CONECT  161   61                                                      
CONECT  162   64                                                      
CONECT  163   66                                                      
CONECT  164   67                                                      
CONECT  165   71                                                      
MASTER        0    0    0    0    0    0    0    0  165    0  165    0
END
