COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       4.609  -2.838   1.258  1.00  0.00           N  
HETATM    2  C   UNL     1       5.262  -1.898   0.330  1.00  0.00           C  
HETATM    3  C   UNL     1       6.023  -0.848   1.089  1.00  0.00           C  
HETATM    4  O   UNL     1       6.946  -1.158   1.812  1.00  0.00           O  
HETATM    5  C   UNL     1       6.230  -2.670  -0.570  1.00  0.00           C  
HETATM    6  C   UNL     1       6.780  -1.745  -1.625  1.00  0.00           C  
HETATM    7  C   UNL     1       7.994  -1.115  -1.426  1.00  0.00           C  
HETATM    8  C   UNL     1       6.074  -1.532  -2.794  1.00  0.00           C  
HETATM    9  C   UNL     1       8.500  -0.267  -2.393  1.00  0.00           C  
HETATM   10  C   UNL     1       6.580  -0.684  -3.761  1.00  0.00           C  
HETATM   11  C   UNL     1       7.791  -0.049  -3.560  1.00  0.00           C  
HETATM   12  C   UNL     1       4.949   3.205   0.769  1.00  0.00           C  
HETATM   13  O   UNL     1       4.215   2.387   0.249  1.00  0.00           O  
HETATM   14  C   UNL     1       6.224   2.780   1.375  1.00  0.00           C  
HETATM   15  C   UNL     1       6.546   1.416   1.461  1.00  0.00           C  
HETATM   16  C   UNL     1       7.751   1.028   2.026  1.00  0.00           C  
HETATM   17  N   UNL     1       5.660   0.457   0.952  1.00  0.00           N  
HETATM   18  C   UNL     1       8.635   1.982   2.492  1.00  0.00           C  
HETATM   19  C   UNL     1       8.329   3.330   2.395  1.00  0.00           C  
HETATM   20  C   UNL     1       7.132   3.735   1.843  1.00  0.00           C  
HETATM   21  N   UNL     1       4.598   4.519   0.796  1.00  0.00           N  
HETATM   22  C   UNL     1       3.475   4.919  -0.072  1.00  0.00           C  
HETATM   23  C   UNL     1       2.252   5.194   0.763  1.00  0.00           C  
HETATM   24  O   UNL     1       2.289   5.115   1.973  1.00  0.00           O  
HETATM   25  C   UNL     1       3.172   3.792  -1.061  1.00  0.00           C  
HETATM   26  C   UNL     1       4.315   3.656  -2.033  1.00  0.00           C  
HETATM   27  C   UNL     1       5.343   2.769  -1.772  1.00  0.00           C  
HETATM   28  C   UNL     1       4.334   4.413  -3.189  1.00  0.00           C  
HETATM   29  C   UNL     1       6.392   2.643  -2.663  1.00  0.00           C  
HETATM   30  C   UNL     1       5.383   4.288  -4.081  1.00  0.00           C  
HETATM   31  C   UNL     1       6.413   3.405  -3.817  1.00  0.00           C  
HETATM   32  N   UNL     1       1.098   5.537   0.114  1.00  0.00           N  
HETATM   33  C   UNL     1      -0.079   5.790   0.976  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.323   5.508   0.172  1.00  0.00           C  
HETATM   35  O   UNL     1      -1.251   5.345  -1.027  1.00  0.00           O  
HETATM   36  C   UNL     1      -0.033   4.867   2.196  1.00  0.00           C  
HETATM   37  C   UNL     1       0.003   3.431   1.738  1.00  0.00           C  
HETATM   38  C   UNL     1       1.208   2.757   1.672  1.00  0.00           C  
HETATM   39  C   UNL     1      -1.169   2.787   1.390  1.00  0.00           C  
HETATM   40  C   UNL     1       1.241   1.440   1.252  1.00  0.00           C  
HETATM   41  C   UNL     1      -1.136   1.471   0.970  1.00  0.00           C  
HETATM   42  C   UNL     1       0.069   0.798   0.899  1.00  0.00           C  
HETATM   43  N   UNL     1      -2.525   5.439   0.799  1.00  0.00           N  
HETATM   44  C   UNL     1      -3.695   5.137  -0.050  1.00  0.00           C  
HETATM   45  C   UNL     1      -4.541   4.097   0.632  1.00  0.00           C  
HETATM   46  O   UNL     1      -4.617   4.070   1.842  1.00  0.00           O  
HETATM   47  C   UNL     1      -3.221   4.604  -1.404  1.00  0.00           C  
HETATM   48  C   UNL     1      -4.415   4.323  -2.279  1.00  0.00           C  
HETATM   49  O   UNL     1      -5.518   4.696  -1.939  1.00  0.00           O  
HETATM   50  N   UNL     1      -4.258   3.657  -3.440  1.00  0.00           N  
HETATM   51  N   UNL     1      -5.222   3.184  -0.118  1.00  0.00           N  
HETATM   52  C   UNL     1      -6.028   2.202   0.644  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.965   0.870  -0.056  1.00  0.00           C  
HETATM   54  O   UNL     1      -5.854   0.820  -1.263  1.00  0.00           O  
HETATM   55  C   UNL     1      -7.481   2.676   0.713  1.00  0.00           C  
HETATM   56  C   UNL     1      -7.556   3.973   1.521  1.00  0.00           C  
HETATM   57  C   UNL     1      -9.009   4.447   1.590  1.00  0.00           C  
HETATM   58  C   UNL     1      -9.085   5.744   2.398  1.00  0.00           C  
HETATM   59  N   UNL     1     -10.480   6.199   2.465  1.00  0.00           N1+
HETATM   60  N   UNL     1      -6.032  -0.275   0.672  1.00  0.00           N  
HETATM   61  C   UNL     1      -5.972  -1.542  -0.085  1.00  0.00           C  
HETATM   62  C   UNL     1      -5.265  -2.579   0.746  1.00  0.00           C  
HETATM   63  O   UNL     1      -5.216  -2.470   1.953  1.00  0.00           O  
HETATM   64  C   UNL     1      -5.205  -1.322  -1.390  1.00  0.00           C  
HETATM   65  C   UNL     1      -5.039  -2.639  -2.103  1.00  0.00           C  
HETATM   66  C   UNL     1      -6.144  -3.279  -2.635  1.00  0.00           C  
HETATM   67  C   UNL     1      -3.783  -3.203  -2.230  1.00  0.00           C  
HETATM   68  C   UNL     1      -5.995  -4.487  -3.290  1.00  0.00           C  
HETATM   69  C   UNL     1      -3.629  -4.410  -2.884  1.00  0.00           C  
HETATM   70  C   UNL     1      -4.736  -5.057  -3.413  1.00  0.00           C  
HETATM   71  O   UNL     1      -4.587  -6.245  -4.056  1.00  0.00           O  
HETATM   72  N   UNL     1      -4.678  -3.644   0.127  1.00  0.00           N  
HETATM   73  C   UNL     1      -4.017  -4.620   1.023  1.00  0.00           C  
HETATM   74  C   UNL     1      -2.715  -5.054   0.402  1.00  0.00           C  
HETATM   75  O   UNL     1      -2.563  -5.008  -0.800  1.00  0.00           O  
HETATM   76  C   UNL     1      -4.924  -5.837   1.213  1.00  0.00           C  
HETATM   77  C   UNL     1      -6.251  -5.393   1.833  1.00  0.00           C  
HETATM   78  C   UNL     1      -5.190  -6.491  -0.145  1.00  0.00           C  
HETATM   79  N   UNL     1      -1.711  -5.498   1.206  1.00  0.00           N  
HETATM   80  C   UNL     1      -0.465  -5.920   0.534  1.00  0.00           C  
HETATM   81  C   UNL     1      -0.434  -5.358  -0.889  1.00  0.00           C  
HETATM   82  C   UNL     1      -0.538  -3.833  -0.837  1.00  0.00           C  
HETATM   83  C   UNL     1      -0.402  -3.264  -2.250  1.00  0.00           C  
HETATM   84  N   UNL     1      -0.502  -1.799  -2.201  1.00  0.00           N  
HETATM   85  C   UNL     1       0.718  -5.402   1.306  1.00  0.00           C  
HETATM   86  O   UNL     1       0.592  -5.055   2.461  1.00  0.00           O  
HETATM   87  N   UNL     1       1.937  -5.318   0.703  1.00  0.00           N  
HETATM   88  C   UNL     1       3.026  -4.744   1.530  1.00  0.00           C  
HETATM   89  C   UNL     1       3.778  -3.749   0.691  1.00  0.00           C  
HETATM   90  O   UNL     1       3.641  -3.761  -0.514  1.00  0.00           O  
HETATM   91  C   UNL     1       3.972  -5.858   1.982  1.00  0.00           C  
HETATM   92  C   UNL     1       3.224  -6.817   2.911  1.00  0.00           C  
HETATM   93  C   UNL     1       4.131  -7.997   3.264  1.00  0.00           C  
HETATM   94  C   UNL     1       2.826  -6.079   4.191  1.00  0.00           C  
HETATM   95  H   UNL     1       4.765  -2.809   2.215  1.00  0.00           H  
HETATM   96  H   UNL     1       4.504  -1.417  -0.287  1.00  0.00           H  
HETATM   97  H   UNL     1       7.049  -3.065   0.031  1.00  0.00           H  
HETATM   98  H   UNL     1       5.701  -3.494  -1.049  1.00  0.00           H  
HETATM   99  H   UNL     1       8.548  -1.285  -0.514  1.00  0.00           H  
HETATM  100  H   UNL     1       5.128  -2.029  -2.951  1.00  0.00           H  
HETATM  101  H   UNL     1       9.448   0.227  -2.237  1.00  0.00           H  
HETATM  102  H   UNL     1       6.028  -0.518  -4.675  1.00  0.00           H  
HETATM  103  H   UNL     1       8.185   0.613  -4.316  1.00  0.00           H  
HETATM  104  H   UNL     1       7.998  -0.020   2.101  1.00  0.00           H  
HETATM  105  H   UNL     1       4.828   0.711   0.522  1.00  0.00           H  
HETATM  106  H   UNL     1       9.570   1.675   2.935  1.00  0.00           H  
HETATM  107  H   UNL     1       9.031   4.068   2.753  1.00  0.00           H  
HETATM  108  H   UNL     1       6.897   4.786   1.772  1.00  0.00           H  
HETATM  109  H   UNL     1       5.063   5.160   1.357  1.00  0.00           H  
HETATM  110  H   UNL     1       3.747   5.819  -0.623  1.00  0.00           H  
HETATM  111  H   UNL     1       3.043   2.856  -0.518  1.00  0.00           H  
HETATM  112  H   UNL     1       2.257   4.024  -1.607  1.00  0.00           H  
HETATM  113  H   UNL     1       5.326   2.174  -0.871  1.00  0.00           H  
HETATM  114  H   UNL     1       3.529   5.103  -3.396  1.00  0.00           H  
HETATM  115  H   UNL     1       7.195   1.951  -2.458  1.00  0.00           H  
HETATM  116  H   UNL     1       5.397   4.880  -4.984  1.00  0.00           H  
HETATM  117  H   UNL     1       7.233   3.307  -4.513  1.00  0.00           H  
HETATM  118  H   UNL     1       1.053   5.610  -0.853  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.079   6.830   1.302  1.00  0.00           H  
HETATM  120  H   UNL     1       0.860   5.084   2.782  1.00  0.00           H  
HETATM  121  H   UNL     1      -0.919   5.031   2.809  1.00  0.00           H  
HETATM  122  H   UNL     1       2.124   3.259   1.948  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.111   3.313   1.446  1.00  0.00           H  
HETATM  124  H   UNL     1       2.182   0.914   1.200  1.00  0.00           H  
HETATM  125  H   UNL     1      -2.053   0.967   0.699  1.00  0.00           H  
HETATM  126  H   UNL     1       0.095  -0.231   0.571  1.00  0.00           H  
HETATM  127  H   UNL     1      -2.612   5.582   1.755  1.00  0.00           H  
HETATM  128  H   UNL     1      -4.282   6.044  -0.199  1.00  0.00           H  
HETATM  129  H   UNL     1      -2.585   5.348  -1.885  1.00  0.00           H  
HETATM  130  H   UNL     1      -2.655   3.684  -1.254  1.00  0.00           H  
HETATM  131  H   UNL     1      -3.375   3.359  -3.712  1.00  0.00           H  
HETATM  132  H   UNL     1      -5.026   3.476  -4.004  1.00  0.00           H  
HETATM  133  H   UNL     1      -5.181   3.178  -1.087  1.00  0.00           H  
HETATM  134  H   UNL     1      -5.626   2.104   1.652  1.00  0.00           H  
HETATM  135  H   UNL     1      -7.854   2.853  -0.296  1.00  0.00           H  
HETATM  136  H   UNL     1      -8.090   1.911   1.196  1.00  0.00           H  
HETATM  137  H   UNL     1      -7.183   3.795   2.529  1.00  0.00           H  
HETATM  138  H   UNL     1      -6.947   4.738   1.038  1.00  0.00           H  
HETATM  139  H   UNL     1      -9.382   4.625   0.582  1.00  0.00           H  
HETATM  140  H   UNL     1      -9.618   3.682   2.073  1.00  0.00           H  
HETATM  141  H   UNL     1      -8.712   5.567   3.407  1.00  0.00           H  
HETATM  142  H   UNL     1      -8.476   6.509   1.915  1.00  0.00           H  
HETATM  143  H   UNL     1     -10.825   6.364   1.531  1.00  0.00           H  
HETATM  144  H   UNL     1     -11.043   5.491   2.912  1.00  0.00           H  
HETATM  145  H   UNL     1     -10.529   7.055   2.997  1.00  0.00           H  
HETATM  146  H   UNL     1      -6.114  -0.261   1.639  1.00  0.00           H  
HETATM  147  H   UNL     1      -6.983  -1.881  -0.308  1.00  0.00           H  
HETATM  148  H   UNL     1      -5.759  -0.632  -2.026  1.00  0.00           H  
HETATM  149  H   UNL     1      -4.223  -0.903  -1.168  1.00  0.00           H  
HETATM  150  H   UNL     1      -7.123  -2.835  -2.539  1.00  0.00           H  
HETATM  151  H   UNL     1      -2.922  -2.699  -1.817  1.00  0.00           H  
HETATM  152  H   UNL     1      -6.858  -4.986  -3.705  1.00  0.00           H  
HETATM  153  H   UNL     1      -2.647  -4.849  -2.983  1.00  0.00           H  
HETATM  154  H   UNL     1      -4.425  -6.161  -5.006  1.00  0.00           H  
HETATM  155  H   UNL     1      -4.693  -3.754  -0.837  1.00  0.00           H  
HETATM  156  H   UNL     1      -3.823  -4.154   1.989  1.00  0.00           H  
HETATM  157  H   UNL     1      -4.437  -6.555   1.872  1.00  0.00           H  
HETATM  158  H   UNL     1      -6.738  -4.675   1.173  1.00  0.00           H  
HETATM  159  H   UNL     1      -6.897  -6.260   1.968  1.00  0.00           H  
HETATM  160  H   UNL     1      -6.061  -4.927   2.800  1.00  0.00           H  
HETATM  161  H   UNL     1      -4.246  -6.808  -0.587  1.00  0.00           H  
HETATM  162  H   UNL     1      -5.837  -7.358  -0.010  1.00  0.00           H  
HETATM  163  H   UNL     1      -5.678  -5.773  -0.804  1.00  0.00           H  
HETATM  164  H   UNL     1      -1.808  -5.535   2.170  1.00  0.00           H  
HETATM  165  H   UNL     1      -0.421  -7.009   0.498  1.00  0.00           H  
HETATM  166  H   UNL     1       0.501  -5.643  -1.371  1.00  0.00           H  
HETATM  167  H   UNL     1      -1.273  -5.760  -1.457  1.00  0.00           H  
HETATM  168  H   UNL     1      -1.505  -3.548  -0.422  1.00  0.00           H  
HETATM  169  H   UNL     1       0.258  -3.435  -0.207  1.00  0.00           H  
HETATM  170  H   UNL     1       0.565  -3.548  -2.665  1.00  0.00           H  
HETATM  171  H   UNL     1      -1.199  -3.661  -2.880  1.00  0.00           H  
HETATM  172  H   UNL     1       0.185  -1.411  -1.572  1.00  0.00           H  
HETATM  173  H   UNL     1      -0.415  -1.399  -3.123  1.00  0.00           H  
HETATM  174  H   UNL     1       2.083  -5.615  -0.209  1.00  0.00           H  
HETATM  175  H   UNL     1       2.602  -4.245   2.401  1.00  0.00           H  
HETATM  176  H   UNL     1       4.333  -6.405   1.111  1.00  0.00           H  
HETATM  177  H   UNL     1       4.818  -5.423   2.514  1.00  0.00           H  
HETATM  178  H   UNL     1       2.329  -7.184   2.410  1.00  0.00           H  
HETATM  179  H   UNL     1       5.027  -7.629   3.766  1.00  0.00           H  
HETATM  180  H   UNL     1       3.599  -8.680   3.926  1.00  0.00           H  
HETATM  181  H   UNL     1       4.415  -8.522   2.352  1.00  0.00           H  
HETATM  182  H   UNL     1       2.293  -6.762   4.853  1.00  0.00           H  
HETATM  183  H   UNL     1       3.721  -5.712   4.693  1.00  0.00           H  
HETATM  184  H   UNL     1       2.179  -5.238   3.940  1.00  0.00           H  
CONECT    1    2   95   89                                            
CONECT    2    1    3    5   96                                       
CONECT    3    2    4    4   17                                       
CONECT    4    3    3                                                 
CONECT    5    2    6   97   98                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6    9   99                                       
CONECT    8    6   10   10  100                                       
CONECT    9    7   11   11  101                                       
CONECT   10    8    8   11  102                                       
CONECT   11    9    9   10  103                                       
CONECT   12   13   13   14   21                                       
CONECT   13   12   12                                                 
CONECT   14   12   15   15   20                                       
CONECT   15   14   14   16   17                                       
CONECT   16   15   18   18  104                                       
CONECT   17   15  105    3                                            
CONECT   18   16   16   19  106                                       
CONECT   19   18   20   20  107                                       
CONECT   20   14   19   19  108                                       
CONECT   21   22  109   12                                            
CONECT   22   21   23   25  110                                       
CONECT   23   22   24   24   32                                       
CONECT   24   23   23                                                 
CONECT   25   22   26  111  112                                       
CONECT   26   25   27   27   28                                       
CONECT   27   26   26   29  113                                       
CONECT   28   26   30   30  114                                       
CONECT   29   27   31   31  115                                       
CONECT   30   28   28   31  116                                       
CONECT   31   29   29   30  117                                       
CONECT   32   33  118   23                                            
CONECT   33   32   34   36  119                                       
CONECT   34   33   35   35   43                                       
CONECT   35   34   34                                                 
CONECT   36   33   37  120  121                                       
CONECT   37   36   38   38   39                                       
CONECT   38   37   37   40  122                                       
CONECT   39   37   41   41  123                                       
CONECT   40   38   42   42  124                                       
CONECT   41   39   39   42  125                                       
CONECT   42   40   40   41  126                                       
CONECT   43   44  127   34                                            
CONECT   44   43   45   47  128                                       
CONECT   45   44   46   46   51                                       
CONECT   46   45   45                                                 
CONECT   47   44   48  129  130                                       
CONECT   48   47   49   49   50                                       
CONECT   49   48   48                                                 
CONECT   50   48  131  132                                            
CONECT   51   52  133   45                                            
CONECT   52   51   53   55  134                                       
CONECT   53   52   54   54   60                                       
CONECT   54   53   53                                                 
CONECT   55   52   56  135  136                                       
CONECT   56   55   57  137  138                                       
CONECT   57   56   58  139  140                                       
CONECT   58   57   59  141  142                                       
CONECT   59   58  143  144  145                                       
CONECT   60   61  146   53                                            
CONECT   61   60   62   64  147                                       
CONECT   62   61   63   63   72                                       
CONECT   63   62   62                                                 
CONECT   64   61   65  148  149                                       
CONECT   65   64   66   66   67                                       
CONECT   66   65   65   68  150                                       
CONECT   67   65   69   69  151                                       
CONECT   68   66   70   70  152                                       
CONECT   69   67   67   70  153                                       
CONECT   70   68   68   69   71                                       
CONECT   71   70  154                                                 
CONECT   72   73  155   62                                            
CONECT   73   72   74   76  156                                       
CONECT   74   73   75   75   79                                       
CONECT   75   74   74                                                 
CONECT   76   73   77   78  157                                       
CONECT   77   76  158  159  160                                       
CONECT   78   76  161  162  163                                       
CONECT   79   80  164   74                                            
CONECT   80   79   81   85  165                                       
CONECT   81   80   82  166  167                                       
CONECT   82   81   83  168  169                                       
CONECT   83   82   84  170  171                                       
CONECT   84   83  172  173                                            
CONECT   85   80   86   86   87                                       
CONECT   86   85   85                                                 
CONECT   87   88  174   85                                            
CONECT   88   87   89   91  175                                       
CONECT   89   88   90   90    1                                       
CONECT   90   89   89                                                 
CONECT   91   88   92  176  177                                       
CONECT   92   91   93   94  178                                       
CONECT   93   92  179  180  181                                       
CONECT   94   92  182  183  184                                       
CONECT   95    1                                                      
CONECT   96    2                                                      
CONECT   97    5                                                      
CONECT   98    5                                                      
CONECT   99    7                                                      
CONECT  100    8                                                      
CONECT  101    9                                                      
CONECT  102   10                                                      
CONECT  103   11                                                      
CONECT  104   16                                                      
CONECT  105   17                                                      
CONECT  106   18                                                      
CONECT  107   19                                                      
CONECT  108   20                                                      
CONECT  109   21                                                      
CONECT  110   22                                                      
CONECT  111   25                                                      
CONECT  112   25                                                      
CONECT  113   27                                                      
CONECT  114   28                                                      
CONECT  115   29                                                      
CONECT  116   30                                                      
CONECT  117   31                                                      
CONECT  118   32                                                      
CONECT  119   33                                                      
CONECT  120   36                                                      
CONECT  121   36                                                      
CONECT  122   38                                                      
CONECT  123   39                                                      
CONECT  124   40                                                      
CONECT  125   41                                                      
CONECT  126   42                                                      
CONECT  127   43                                                      
CONECT  128   44                                                      
CONECT  129   47                                                      
CONECT  130   47                                                      
CONECT  131   50                                                      
CONECT  132   50                                                      
CONECT  133   51                                                      
CONECT  134   52                                                      
CONECT  135   55                                                      
CONECT  136   55                                                      
CONECT  137   56                                                      
CONECT  138   56                                                      
CONECT  139   57                                                      
CONECT  140   57                                                      
CONECT  141   58                                                      
CONECT  142   58                                                      
CONECT  143   59                                                      
CONECT  144   59                                                      
CONECT  145   59                                                      
CONECT  146   60                                                      
CONECT  147   61                                                      
CONECT  148   64                                                      
CONECT  149   64                                                      
CONECT  150   66                                                      
CONECT  151   67                                                      
CONECT  152   68                                                      
CONECT  153   69                                                      
CONECT  154   71                                                      
CONECT  155   72                                                      
CONECT  156   73                                                      
CONECT  157   76                                                      
CONECT  158   77                                                      
CONECT  159   77                                                      
CONECT  160   77                                                      
CONECT  161   78                                                      
CONECT  162   78                                                      
CONECT  163   78                                                      
CONECT  164   79                                                      
CONECT  165   80                                                      
CONECT  166   81                                                      
CONECT  167   81                                                      
CONECT  168   82                                                      
CONECT  169   82                                                      
CONECT  170   83                                                      
CONECT  171   83                                                      
CONECT  172   84                                                      
CONECT  173   84                                                      
CONECT  174   87                                                      
CONECT  175   88                                                      
CONECT  176   91                                                      
CONECT  177   91                                                      
CONECT  178   92                                                      
CONECT  179   93                                                      
CONECT  180   93                                                      
CONECT  181   93                                                      
CONECT  182   94                                                      
CONECT  183   94                                                      
CONECT  184   94                                                      
MASTER        0    0    0    0    0    0    0    0  184    0  184    0
END
