COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -2.895   0.449  -0.471  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.879   0.041   0.936  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.918  -1.027   1.161  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.879  -0.816   1.870  1.00  0.00           O  
HETATM    5  C   UNL     1      -3.191   1.250   1.821  1.00  0.00           C  
HETATM    6  O   UNL     1      -4.500   1.777   1.479  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.132   2.332   1.597  1.00  0.00           C  
HETATM    8  N   UNL     1      -3.754  -2.241   0.548  1.00  0.00           N  
HETATM    9  C   UNL     1      -4.836  -3.218   0.826  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.755  -4.375  -0.172  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.003  -3.847  -1.586  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.367  -5.013  -0.101  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.159  -2.511   0.678  1.00  0.00           C  
HETATM   14  O   UNL     1      -6.195  -1.300   0.623  1.00  0.00           O  
HETATM   15  N   UNL     1      -7.302  -3.221   0.606  1.00  0.00           N  
HETATM   16  C   UNL     1      -8.644  -2.653   0.453  1.00  0.00           C  
HETATM   17  C   UNL     1      -8.790  -1.449   1.349  1.00  0.00           C  
HETATM   18  O   UNL     1      -8.655  -1.550   2.550  1.00  0.00           O  
HETATM   19  C   UNL     1      -9.658  -3.730   0.858  1.00  0.00           C  
HETATM   20  C   UNL     1      -8.856  -5.029   1.027  1.00  0.00           C  
HETATM   21  C   UNL     1      -7.406  -4.680   0.670  1.00  0.00           C  
HETATM   22  N   UNL     1      -9.078  -0.239   0.775  1.00  0.00           N  
HETATM   23  C   UNL     1      -9.173   0.889   1.734  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.120   1.906   1.374  1.00  0.00           C  
HETATM   25  O   UNL     1      -7.954   2.237   0.219  1.00  0.00           O  
HETATM   26  C   UNL     1      -9.277  -0.073  -0.667  1.00  0.00           C  
HETATM   27  N   UNL     1      -7.358   2.448   2.365  1.00  0.00           N  
HETATM   28  C   UNL     1      -7.565   2.112   3.776  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.309   3.396   1.932  1.00  0.00           C  
HETATM   30  C   UNL     1      -6.460   4.713   2.696  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.462   5.736   2.152  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.884   5.245   2.518  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.959   2.794   2.224  1.00  0.00           C  
HETATM   34  O   UNL     1      -4.290   3.227   3.132  1.00  0.00           O  
HETATM   35  C   UNL     1      -2.032   0.304  -2.750  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.102  -0.179  -1.363  1.00  0.00           C  
HETATM   37  O   UNL     1      -1.445  -1.143  -1.020  1.00  0.00           O  
HETATM   38  C   UNL     1      -3.092   0.104  -3.621  1.00  0.00           C  
HETATM   39  N   UNL     1      -4.224  -0.550  -3.190  1.00  0.00           N  
HETATM   40  C   UNL     1      -3.006   0.593  -5.008  1.00  0.00           C  
HETATM   41  O   UNL     1      -3.944   0.413  -5.769  1.00  0.00           O  
HETATM   42  C   UNL     1      -1.865   1.260  -5.465  1.00  0.00           C  
HETATM   43  O   UNL     1       0.307   2.121  -5.072  1.00  0.00           O  
HETATM   44  C   UNL     1       2.484   2.983  -4.674  1.00  0.00           C  
HETATM   45  C   UNL     1       3.548   3.192  -3.825  1.00  0.00           C  
HETATM   46  C   UNL     1       3.505   2.744  -2.507  1.00  0.00           C  
HETATM   47  F   UNL     1       4.558   2.958  -1.689  1.00  0.00           F  
HETATM   48  C   UNL     1       2.373   2.097  -2.024  1.00  0.00           C  
HETATM   49  C   UNL     1       2.328   1.623  -0.629  1.00  0.00           C  
HETATM   50  O   UNL     1       1.805   2.308   0.229  1.00  0.00           O  
HETATM   51  N   UNL     1       0.191   1.227  -2.440  1.00  0.00           N  
HETATM   52  C   UNL     1      -0.838   1.011  -3.236  1.00  0.00           C  
HETATM   53  C   UNL     1      -0.793   1.477  -4.630  1.00  0.00           C  
HETATM   54  C   UNL     1       1.344   2.319  -4.227  1.00  0.00           C  
HETATM   55  C   UNL     1       1.273   1.872  -2.892  1.00  0.00           C  
HETATM   56  C   UNL     1      -1.809   1.747  -6.890  1.00  0.00           C  
HETATM   57  C   UNL     1       2.554   3.477  -6.096  1.00  0.00           C  
HETATM   58  N   UNL     1       2.865   0.430  -0.304  1.00  0.00           N  
HETATM   59  C   UNL     1       2.922   0.010   1.098  1.00  0.00           C  
HETATM   60  C   UNL     1       4.209   0.492   1.715  1.00  0.00           C  
HETATM   61  O   UNL     1       5.053  -0.297   2.083  1.00  0.00           O  
HETATM   62  C   UNL     1       2.860  -1.517   1.175  1.00  0.00           C  
HETATM   63  O   UNL     1       3.981  -2.086   0.449  1.00  0.00           O  
HETATM   64  C   UNL     1       1.550  -2.006   0.555  1.00  0.00           C  
HETATM   65  N   UNL     1       4.406   1.841   1.851  1.00  0.00           N  
HETATM   66  C   UNL     1       5.709   2.211   2.460  1.00  0.00           C  
HETATM   67  C   UNL     1       5.982   3.699   2.231  1.00  0.00           C  
HETATM   68  C   UNL     1       6.116   3.968   0.731  1.00  0.00           C  
HETATM   69  C   UNL     1       4.822   4.522   2.795  1.00  0.00           C  
HETATM   70  C   UNL     1       6.787   1.389   1.801  1.00  0.00           C  
HETATM   71  O   UNL     1       6.487   0.433   1.119  1.00  0.00           O  
HETATM   72  N   UNL     1       8.084   1.715   1.968  1.00  0.00           N  
HETATM   73  C   UNL     1       9.220   1.005   1.375  1.00  0.00           C  
HETATM   74  C   UNL     1       9.000  -0.483   1.485  1.00  0.00           C  
HETATM   75  O   UNL     1       8.863  -1.011   2.568  1.00  0.00           O  
HETATM   76  C   UNL     1      10.480   1.404   2.151  1.00  0.00           C  
HETATM   77  C   UNL     1      10.066   2.562   3.072  1.00  0.00           C  
HETATM   78  C   UNL     1       8.587   2.833   2.770  1.00  0.00           C  
HETATM   79  N   UNL     1       8.958  -1.224   0.334  1.00  0.00           N  
HETATM   80  C   UNL     1       8.708  -2.672   0.543  1.00  0.00           C  
HETATM   81  C   UNL     1       7.425  -3.037  -0.159  1.00  0.00           C  
HETATM   82  O   UNL     1       7.208  -2.644  -1.286  1.00  0.00           O  
HETATM   83  C   UNL     1       9.145  -0.635  -0.995  1.00  0.00           C  
HETATM   84  N   UNL     1       6.514  -3.815   0.490  1.00  0.00           N  
HETATM   85  C   UNL     1       6.765  -4.351   1.830  1.00  0.00           C  
HETATM   86  C   UNL     1       5.256  -4.086  -0.239  1.00  0.00           C  
HETATM   87  C   UNL     1       5.014  -5.596  -0.300  1.00  0.00           C  
HETATM   88  C   UNL     1       3.713  -5.873  -1.055  1.00  0.00           C  
HETATM   89  C   UNL     1       6.179  -6.271  -1.027  1.00  0.00           C  
HETATM   90  C   UNL     1       4.119  -3.420   0.490  1.00  0.00           C  
HETATM   91  O   UNL     1       3.329  -4.089   1.114  1.00  0.00           O  
HETATM   92  H   UNL     1      -3.478   1.167  -0.762  1.00  0.00           H  
HETATM   93  H   UNL     1      -1.894  -0.351   1.190  1.00  0.00           H  
HETATM   94  H   UNL     1      -3.183   0.946   2.867  1.00  0.00           H  
HETATM   95  H   UNL     1      -2.205   2.706   0.576  1.00  0.00           H  
HETATM   96  H   UNL     1      -2.296   3.151   2.297  1.00  0.00           H  
HETATM   97  H   UNL     1      -1.140   1.908   1.759  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.994  -2.445  -0.020  1.00  0.00           H  
HETATM   99  H   UNL     1      -4.735  -3.600   1.842  1.00  0.00           H  
HETATM  100  H   UNL     1      -5.511  -5.121   0.075  1.00  0.00           H  
HETATM  101  H   UNL     1      -4.247  -3.101  -1.833  1.00  0.00           H  
HETATM  102  H   UNL     1      -4.945  -4.672  -2.297  1.00  0.00           H  
HETATM  103  H   UNL     1      -5.992  -3.392  -1.637  1.00  0.00           H  
HETATM  104  H   UNL     1      -3.223  -5.463   0.882  1.00  0.00           H  
HETATM  105  H   UNL     1      -3.281  -5.782  -0.869  1.00  0.00           H  
HETATM  106  H   UNL     1      -2.607  -4.249  -0.265  1.00  0.00           H  
HETATM  107  H   UNL     1      -8.805  -2.362  -0.585  1.00  0.00           H  
HETATM  108  H   UNL     1     -10.138  -3.459   1.798  1.00  0.00           H  
HETATM  109  H   UNL     1     -10.408  -3.851   0.076  1.00  0.00           H  
HETATM  110  H   UNL     1      -8.916  -5.375   2.059  1.00  0.00           H  
HETATM  111  H   UNL     1      -9.236  -5.795   0.352  1.00  0.00           H  
HETATM  112  H   UNL     1      -7.150  -5.112  -0.298  1.00  0.00           H  
HETATM  113  H   UNL     1      -6.733  -5.066   1.436  1.00  0.00           H  
HETATM  114  H   UNL     1     -10.161   1.345   1.669  1.00  0.00           H  
HETATM  115  H   UNL     1      -9.002   0.526   2.747  1.00  0.00           H  
HETATM  116  H   UNL     1     -10.156  -0.636  -0.980  1.00  0.00           H  
HETATM  117  H   UNL     1      -9.421   0.983  -0.895  1.00  0.00           H  
HETATM  118  H   UNL     1      -8.401  -0.443  -1.200  1.00  0.00           H  
HETATM  119  H   UNL     1      -7.339   1.058   3.935  1.00  0.00           H  
HETATM  120  H   UNL     1      -6.908   2.723   4.395  1.00  0.00           H  
HETATM  121  H   UNL     1      -8.603   2.306   4.047  1.00  0.00           H  
HETATM  122  H   UNL     1      -6.404   3.582   0.862  1.00  0.00           H  
HETATM  123  H   UNL     1      -6.266   4.543   3.755  1.00  0.00           H  
HETATM  124  H   UNL     1      -5.709   5.970   1.116  1.00  0.00           H  
HETATM  125  H   UNL     1      -5.509   6.645   2.751  1.00  0.00           H  
HETATM  126  H   UNL     1      -4.455   5.321   2.199  1.00  0.00           H  
HETATM  127  H   UNL     1      -8.590   4.559   2.986  1.00  0.00           H  
HETATM  128  H   UNL     1      -7.966   6.227   2.986  1.00  0.00           H  
HETATM  129  H   UNL     1      -8.110   5.330   1.455  1.00  0.00           H  
HETATM  130  H   UNL     1      -4.252  -0.937  -2.300  1.00  0.00           H  
HETATM  131  H   UNL     1      -4.994  -0.625  -3.775  1.00  0.00           H  
HETATM  132  H   UNL     1       4.425   3.708  -4.185  1.00  0.00           H  
HETATM  133  H   UNL     1      -2.738   1.490  -7.399  1.00  0.00           H  
HETATM  134  H   UNL     1      -1.678   2.829  -6.899  1.00  0.00           H  
HETATM  135  H   UNL     1      -0.970   1.275  -7.402  1.00  0.00           H  
HETATM  136  H   UNL     1       2.980   2.699  -6.730  1.00  0.00           H  
HETATM  137  H   UNL     1       1.551   3.722  -6.445  1.00  0.00           H  
HETATM  138  H   UNL     1       3.182   4.367  -6.141  1.00  0.00           H  
HETATM  139  H   UNL     1       3.214  -0.149  -0.999  1.00  0.00           H  
HETATM  140  H   UNL     1       2.078   0.436   1.639  1.00  0.00           H  
HETATM  141  H   UNL     1       2.907  -1.830   2.218  1.00  0.00           H  
HETATM  142  H   UNL     1       1.465  -1.625  -0.463  1.00  0.00           H  
HETATM  143  H   UNL     1       1.541  -3.096   0.536  1.00  0.00           H  
HETATM  144  H   UNL     1       0.710  -1.646   1.148  1.00  0.00           H  
HETATM  145  H   UNL     1       3.750   2.499   1.572  1.00  0.00           H  
HETATM  146  H   UNL     1       5.688   2.001   3.529  1.00  0.00           H  
HETATM  147  H   UNL     1       6.906   3.980   2.735  1.00  0.00           H  
HETATM  148  H   UNL     1       5.163   3.772   0.239  1.00  0.00           H  
HETATM  149  H   UNL     1       6.399   5.009   0.572  1.00  0.00           H  
HETATM  150  H   UNL     1       6.882   3.315   0.312  1.00  0.00           H  
HETATM  151  H   UNL     1       4.667   4.262   3.842  1.00  0.00           H  
HETATM  152  H   UNL     1       5.057   5.583   2.715  1.00  0.00           H  
HETATM  153  H   UNL     1       3.915   4.307   2.229  1.00  0.00           H  
HETATM  154  H   UNL     1       9.324   1.285   0.327  1.00  0.00           H  
HETATM  155  H   UNL     1      10.838   0.562   2.744  1.00  0.00           H  
HETATM  156  H   UNL     1      11.257   1.733   1.461  1.00  0.00           H  
HETATM  157  H   UNL     1      10.189   2.274   4.116  1.00  0.00           H  
HETATM  158  H   UNL     1      10.663   3.447   2.854  1.00  0.00           H  
HETATM  159  H   UNL     1       8.489   3.763   2.209  1.00  0.00           H  
HETATM  160  H   UNL     1       8.025   2.902   3.701  1.00  0.00           H  
HETATM  161  H   UNL     1       9.532  -3.251   0.127  1.00  0.00           H  
HETATM  162  H   UNL     1       8.615  -2.878   1.609  1.00  0.00           H  
HETATM  163  H   UNL     1      10.155  -0.233  -1.076  1.00  0.00           H  
HETATM  164  H   UNL     1       8.997  -1.401  -1.756  1.00  0.00           H  
HETATM  165  H   UNL     1       8.421   0.167  -1.142  1.00  0.00           H  
HETATM  166  H   UNL     1       7.004  -3.532   2.509  1.00  0.00           H  
HETATM  167  H   UNL     1       5.875  -4.870   2.186  1.00  0.00           H  
HETATM  168  H   UNL     1       7.601  -5.048   1.792  1.00  0.00           H  
HETATM  169  H   UNL     1       5.327  -3.687  -1.251  1.00  0.00           H  
HETATM  170  H   UNL     1       4.939  -5.992   0.713  1.00  0.00           H  
HETATM  171  H   UNL     1       3.788  -5.477  -2.067  1.00  0.00           H  
HETATM  172  H   UNL     1       3.540  -6.949  -1.098  1.00  0.00           H  
HETATM  173  H   UNL     1       2.883  -5.393  -0.537  1.00  0.00           H  
HETATM  174  H   UNL     1       7.106  -6.073  -0.489  1.00  0.00           H  
HETATM  175  H   UNL     1       6.006  -7.346  -1.070  1.00  0.00           H  
HETATM  176  H   UNL     1       6.254  -5.874  -2.039  1.00  0.00           H  
CONECT    1    2   92   36                                            
CONECT    2    1    3    5   93                                       
CONECT    3    2    4    4    8                                       
CONECT    4    3    3                                                 
CONECT    5    2    6    7   94                                       
CONECT    6    5   33                                                 
CONECT    7    5   95   96   97                                       
CONECT    8    9   98    3                                            
CONECT    9    8   10   13   99                                       
CONECT   10    9   11   12  100                                       
CONECT   11   10  101  102  103                                       
CONECT   12   10  104  105  106                                       
CONECT   13    9   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   16   21   13                                            
CONECT   16   15   17   19  107                                       
CONECT   17   16   18   18   22                                       
CONECT   18   17   17                                                 
CONECT   19   16   20  108  109                                       
CONECT   20   19   21  110  111                                       
CONECT   21   15   20  112  113                                       
CONECT   22   23   26   17                                            
CONECT   23   22   24  114  115                                       
CONECT   24   23   25   25   27                                       
CONECT   25   24   24                                                 
CONECT   26   22  116  117  118                                       
CONECT   27   28   29   24                                            
CONECT   28   27  119  120  121                                       
CONECT   29   27   30   33  122                                       
CONECT   30   29   31   32  123                                       
CONECT   31   30  124  125  126                                       
CONECT   32   30  127  128  129                                       
CONECT   33   29   34   34    6                                       
CONECT   34   33   33                                                 
CONECT   35   36   38   38   52                                       
CONECT   36   35   37   37    1                                       
CONECT   37   36   36                                                 
CONECT   38   35   35   39   40                                       
CONECT   39   38  130  131                                            
CONECT   40   38   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   53   53   56                                       
CONECT   43   53   54                                                 
CONECT   44   45   45   54   57                                       
CONECT   45   44   44   46  132                                       
CONECT   46   45   47   48   48                                       
CONECT   47   46                                                      
CONECT   48   46   46   49   55                                       
CONECT   49   48   50   50   58                                       
CONECT   50   49   49                                                 
CONECT   51   52   52   55                                            
CONECT   52   35   51   51   53                                       
CONECT   53   42   42   43   52                                       
CONECT   54   43   44   55   55                                       
CONECT   55   48   51   54   54                                       
CONECT   56   42  133  134  135                                       
CONECT   57   44  136  137  138                                       
CONECT   58   59  139   49                                            
CONECT   59   58   60   62  140                                       
CONECT   60   59   61   61   65                                       
CONECT   61   60   60                                                 
CONECT   62   59   63   64  141                                       
CONECT   63   62   90                                                 
CONECT   64   62  142  143  144                                       
CONECT   65   66  145   60                                            
CONECT   66   65   67   70  146                                       
CONECT   67   66   68   69  147                                       
CONECT   68   67  148  149  150                                       
CONECT   69   67  151  152  153                                       
CONECT   70   66   71   71   72                                       
CONECT   71   70   70                                                 
CONECT   72   73   78   70                                            
CONECT   73   72   74   76  154                                       
CONECT   74   73   75   75   79                                       
CONECT   75   74   74                                                 
CONECT   76   73   77  155  156                                       
CONECT   77   76   78  157  158                                       
CONECT   78   72   77  159  160                                       
CONECT   79   80   83   74                                            
CONECT   80   79   81  161  162                                       
CONECT   81   80   82   82   84                                       
CONECT   82   81   81                                                 
CONECT   83   79  163  164  165                                       
CONECT   84   85   86   81                                            
CONECT   85   84  166  167  168                                       
CONECT   86   84   87   90  169                                       
CONECT   87   86   88   89  170                                       
CONECT   88   87  171  172  173                                       
CONECT   89   87  174  175  176                                       
CONECT   90   86   91   91   63                                       
CONECT   91   90   90                                                 
CONECT   92    1                                                      
CONECT   93    2                                                      
CONECT   94    5                                                      
CONECT   95    7                                                      
CONECT   96    7                                                      
CONECT   97    7                                                      
CONECT   98    8                                                      
CONECT   99    9                                                      
CONECT  100   10                                                      
CONECT  101   11                                                      
CONECT  102   11                                                      
CONECT  103   11                                                      
CONECT  104   12                                                      
CONECT  105   12                                                      
CONECT  106   12                                                      
CONECT  107   16                                                      
CONECT  108   19                                                      
CONECT  109   19                                                      
CONECT  110   20                                                      
CONECT  111   20                                                      
CONECT  112   21                                                      
CONECT  113   21                                                      
CONECT  114   23                                                      
CONECT  115   23                                                      
CONECT  116   26                                                      
CONECT  117   26                                                      
CONECT  118   26                                                      
CONECT  119   28                                                      
CONECT  120   28                                                      
CONECT  121   28                                                      
CONECT  122   29                                                      
CONECT  123   30                                                      
CONECT  124   31                                                      
CONECT  125   31                                                      
CONECT  126   31                                                      
CONECT  127   32                                                      
CONECT  128   32                                                      
CONECT  129   32                                                      
CONECT  130   39                                                      
CONECT  131   39                                                      
CONECT  132   45                                                      
CONECT  133   56                                                      
CONECT  134   56                                                      
CONECT  135   56                                                      
CONECT  136   57                                                      
CONECT  137   57                                                      
CONECT  138   57                                                      
CONECT  139   58                                                      
CONECT  140   59                                                      
CONECT  141   62                                                      
CONECT  142   64                                                      
CONECT  143   64                                                      
CONECT  144   64                                                      
CONECT  145   65                                                      
CONECT  146   66                                                      
CONECT  147   67                                                      
CONECT  148   68                                                      
CONECT  149   68                                                      
CONECT  150   68                                                      
CONECT  151   69                                                      
CONECT  152   69                                                      
CONECT  153   69                                                      
CONECT  154   73                                                      
CONECT  155   76                                                      
CONECT  156   76                                                      
CONECT  157   77                                                      
CONECT  158   77                                                      
CONECT  159   78                                                      
CONECT  160   78                                                      
CONECT  161   80                                                      
CONECT  162   80                                                      
CONECT  163   83                                                      
CONECT  164   83                                                      
CONECT  165   83                                                      
CONECT  166   85                                                      
CONECT  167   85                                                      
CONECT  168   85                                                      
CONECT  169   86                                                      
CONECT  170   87                                                      
CONECT  171   88                                                      
CONECT  172   88                                                      
CONECT  173   88                                                      
CONECT  174   89                                                      
CONECT  175   89                                                      
CONECT  176   89                                                      
MASTER        0    0    0    0    0    0    0    0  176    0  176    0
END
