COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.332  -2.632   0.607  1.00  0.00           C  
HETATM    2  C   UNL     1       2.597  -2.628  -0.273  1.00  0.00           C  
HETATM    3  C   UNL     1       3.056  -4.020  -0.461  1.00  0.00           C  
HETATM    4  C   UNL     1       2.328  -1.971  -1.669  1.00  0.00           C  
HETATM    5  C   UNL     1       3.122  -0.755  -1.886  1.00  0.00           C  
HETATM    6  C   UNL     1       4.248  -1.098  -2.918  1.00  0.00           C  
HETATM    7  C   UNL     1       4.654   0.685  -0.801  1.00  0.00           C  
HETATM    8  C   UNL     1       6.298   2.202   0.164  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.970  -4.877  -4.080  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.977  -3.392  -2.808  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.910  -3.836  -3.788  1.00  0.00           C  
HETATM   12  C   UNL     1       0.292  -4.345  -2.984  1.00  0.00           C  
HETATM   13  C   UNL     1       1.461  -4.621  -3.933  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.304  -3.086  -1.020  1.00  0.00           C  
HETATM   15  C   UNL     1       6.816   2.587   1.552  1.00  0.00           C  
HETATM   16  C   UNL     1       7.667   4.948   1.413  1.00  0.00           C  
HETATM   17  C   UNL     1       6.338   5.648   1.537  1.00  0.00           C  
HETATM   18  C   UNL     1       9.785   4.600   1.190  1.00  0.00           C  
HETATM   19  C   UNL     1       9.199   3.390   1.277  1.00  0.00           C  
HETATM   20  C   UNL     1       2.231   0.263  -2.568  1.00  0.00           C  
HETATM   21  C   UNL     1       1.826   1.620  -1.981  1.00  0.00           C  
HETATM   22  C   UNL     1       2.951   2.322  -1.173  1.00  0.00           C  
HETATM   23  C   UNL     1       0.524   1.391  -1.052  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.719   1.962  -2.973  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.909   1.808  -3.885  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.822   2.835  -5.016  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.006   2.649  -5.966  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.857   4.247  -4.427  1.00  0.00           C  
HETATM   29  C   UNL     1       0.255   2.572  -0.147  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.317   3.758  -1.043  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.797   2.307   0.890  1.00  0.00           C  
HETATM   32  C   UNL     1      -0.728   0.015   1.796  1.00  0.00           C  
HETATM   33  C   UNL     1      -0.521  -0.882   3.025  1.00  0.00           C  
HETATM   34  C   UNL     1      -0.039  -0.007   4.164  1.00  0.00           C  
HETATM   35  C   UNL     1       0.361  -2.073   2.776  1.00  0.00           C  
HETATM   36  C   UNL     1      -0.986  -3.960   3.429  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.106  -4.871   2.920  1.00  0.00           C  
HETATM   38  C   UNL     1      -1.546  -5.801   1.839  1.00  0.00           C  
HETATM   39  C   UNL     1      -2.639  -6.767   1.378  1.00  0.00           C  
HETATM   40  C   UNL     1      -0.371  -6.593   2.422  1.00  0.00           C  
HETATM   41  C   UNL     1       0.682  -5.615   2.950  1.00  0.00           C  
HETATM   42  C   UNL     1       1.831  -6.399   3.588  1.00  0.00           C  
HETATM   43  C   UNL     1       1.549  -1.946   1.958  1.00  0.00           C  
HETATM   44  C   UNL     1       2.076  -0.561   1.793  1.00  0.00           C  
HETATM   45  C   UNL     1      -2.205   2.036   0.244  1.00  0.00           C  
HETATM   46  C   UNL     1      -2.477   0.531   0.225  1.00  0.00           C  
HETATM   47  C   UNL     1      -3.287   2.739   1.066  1.00  0.00           C  
HETATM   48  C   UNL     1      -5.636   3.215   1.106  1.00  0.00           C  
HETATM   49  C   UNL     1      -6.889   3.130   3.150  1.00  0.00           C  
HETATM   50  C   UNL     1      -6.994   2.376   4.477  1.00  0.00           C  
HETATM   51  C   UNL     1      -8.212   3.013   2.390  1.00  0.00           C  
HETATM   52  C   UNL     1      -8.079   3.718   1.036  1.00  0.00           C  
HETATM   53  C   UNL     1      -9.019   5.905   1.322  1.00  0.00           C  
HETATM   54  C   UNL     1      -6.909   3.101   0.264  1.00  0.00           C  
HETATM   55  C   UNL     1      -6.202   2.992  -2.023  1.00  0.00           C  
HETATM   56  C   UNL     1      -1.552  -2.481  -1.674  1.00  0.00           C  
HETATM   57  N   UNL     1      -3.193  -3.768  -2.936  1.00  0.00           N  
HETATM   58  N   UNL     1       5.259   1.179   0.298  1.00  0.00           N  
HETATM   59  N   UNL     1       7.855   3.611   1.418  1.00  0.00           N  
HETATM   60  N   UNL     1       8.825   5.533   1.276  1.00  0.00           N  
HETATM   61  N   UNL     1       9.877   2.076   1.229  1.00  0.00           N1+
HETATM   62  O   UNL     1      -3.585  -4.526  -4.067  1.00  0.00           O  
HETATM   63  O   UNL     1       0.676  -3.354  -2.030  1.00  0.00           O  
HETATM   64  O   UNL     1       0.228  -2.165  -0.066  1.00  0.00           O  
HETATM   65  O   UNL     1       3.699  -0.256  -0.679  1.00  0.00           O  
HETATM   66  O   UNL     1       4.971   1.089  -1.903  1.00  0.00           O  
HETATM   67  O   UNL     1       9.226   1.051   1.319  1.00  0.00           O  
HETATM   68  O   UNL     1      11.087   2.019   1.099  1.00  0.00           O1-
HETATM   69  O   UNL     1       1.803   0.075  -3.672  1.00  0.00           O  
HETATM   70  O   UNL     1      -0.535   1.103  -1.959  1.00  0.00           O  
HETATM   71  O   UNL     1       0.069   2.860  -3.155  1.00  0.00           O  
HETATM   72  O   UNL     1      -0.331   1.272   1.732  1.00  0.00           O  
HETATM   73  O   UNL     1      -1.359  -0.515   0.874  1.00  0.00           O  
HETATM   74  O   UNL     1      -0.512  -3.142   2.357  1.00  0.00           O  
HETATM   75  O   UNL     1      -1.094  -5.024   0.728  1.00  0.00           O  
HETATM   76  O   UNL     1       0.205  -7.412   1.402  1.00  0.00           O  
HETATM   77  O   UNL     1       0.087  -4.760   3.929  1.00  0.00           O  
HETATM   78  O   UNL     1      -4.551   2.591   0.416  1.00  0.00           O  
HETATM   79  O   UNL     1      -5.838   2.565   2.363  1.00  0.00           O  
HETATM   80  O   UNL     1      -9.255   3.628   3.148  1.00  0.00           O  
HETATM   81  O   UNL     1      -7.833   5.110   1.245  1.00  0.00           O  
HETATM   82  O   UNL     1      -6.729   3.800  -0.970  1.00  0.00           O  
HETATM   83  O   UNL     1      -2.603  -2.384  -0.711  1.00  0.00           O  
HETATM   84  H   UNL     1       1.170  -3.709   0.761  1.00  0.00           H  
HETATM   85  H   UNL     1       3.441  -2.037   0.209  1.00  0.00           H  
HETATM   86  H   UNL     1       2.271  -4.599  -0.947  1.00  0.00           H  
HETATM   87  H   UNL     1       3.951  -4.027  -1.082  1.00  0.00           H  
HETATM   88  H   UNL     1       3.284  -4.461   0.510  1.00  0.00           H  
HETATM   89  H   UNL     1       2.528  -2.772  -2.437  1.00  0.00           H  
HETATM   90  H   UNL     1       1.240  -1.727  -1.818  1.00  0.00           H  
HETATM   91  H   UNL     1       4.802  -0.193  -3.166  1.00  0.00           H  
HETATM   92  H   UNL     1       4.927  -1.832  -2.484  1.00  0.00           H  
HETATM   93  H   UNL     1       3.799  -1.510  -3.822  1.00  0.00           H  
HETATM   94  H   UNL     1       5.880   3.082  -0.325  1.00  0.00           H  
HETATM   95  H   UNL     1       7.120   1.810  -0.434  1.00  0.00           H  
HETATM   96  H   UNL     1      -5.189  -5.456  -4.977  1.00  0.00           H  
HETATM   97  H   UNL     1      -5.203  -5.472  -3.197  1.00  0.00           H  
HETATM   98  H   UNL     1      -5.574  -3.970  -4.076  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.299  -4.637  -4.417  1.00  0.00           H  
HETATM  100  H   UNL     1      -0.608  -2.993  -4.410  1.00  0.00           H  
HETATM  101  H   UNL     1       0.021  -5.264  -2.466  1.00  0.00           H  
HETATM  102  H   UNL     1       1.733  -3.701  -4.451  1.00  0.00           H  
HETATM  103  H   UNL     1       2.315  -4.983  -3.362  1.00  0.00           H  
HETATM  104  H   UNL     1       1.166  -5.375  -4.663  1.00  0.00           H  
HETATM  105  H   UNL     1      -0.571  -4.016  -0.517  1.00  0.00           H  
HETATM  106  H   UNL     1       5.994   2.979   2.150  1.00  0.00           H  
HETATM  107  H   UNL     1       7.233   1.707   2.040  1.00  0.00           H  
HETATM  108  H   UNL     1       6.124   5.836   2.589  1.00  0.00           H  
HETATM  109  H   UNL     1       6.375   6.595   0.999  1.00  0.00           H  
HETATM  110  H   UNL     1       5.555   5.019   1.114  1.00  0.00           H  
HETATM  111  H   UNL     1      10.842   4.786   1.072  1.00  0.00           H  
HETATM  112  H   UNL     1       1.497   2.253  -2.721  1.00  0.00           H  
HETATM  113  H   UNL     1       3.804   2.512  -1.825  1.00  0.00           H  
HETATM  114  H   UNL     1       2.579   3.268  -0.778  1.00  0.00           H  
HETATM  115  H   UNL     1       3.261   1.681  -0.347  1.00  0.00           H  
HETATM  116  H   UNL     1       0.712   0.520  -0.413  1.00  0.00           H  
HETATM  117  H   UNL     1      -1.916   0.803  -4.306  1.00  0.00           H  
HETATM  118  H   UNL     1      -2.825   1.970  -3.317  1.00  0.00           H  
HETATM  119  H   UNL     1      -0.890   2.693  -5.564  1.00  0.00           H  
HETATM  120  H   UNL     1      -3.933   2.877  -5.441  1.00  0.00           H  
HETATM  121  H   UNL     1      -2.897   3.319  -6.818  1.00  0.00           H  
HETATM  122  H   UNL     1      -3.032   1.617  -6.317  1.00  0.00           H  
HETATM  123  H   UNL     1      -2.824   4.419  -3.954  1.00  0.00           H  
HETATM  124  H   UNL     1      -1.066   4.351  -3.684  1.00  0.00           H  
HETATM  125  H   UNL     1      -1.707   4.976  -5.223  1.00  0.00           H  
HETATM  126  H   UNL     1       1.104   3.007   0.308  1.00  0.00           H  
HETATM  127  H   UNL     1      -1.260   3.449  -1.495  1.00  0.00           H  
HETATM  128  H   UNL     1      -0.484   4.636  -0.420  1.00  0.00           H  
HETATM  129  H   UNL     1       0.400   4.000  -1.828  1.00  0.00           H  
HETATM  130  H   UNL     1      -0.867   3.236   1.473  1.00  0.00           H  
HETATM  131  H   UNL     1      -1.518  -1.163   3.395  1.00  0.00           H  
HETATM  132  H   UNL     1      -0.787   0.757   4.377  1.00  0.00           H  
HETATM  133  H   UNL     1       0.117  -0.620   5.052  1.00  0.00           H  
HETATM  134  H   UNL     1       0.900   0.471   3.883  1.00  0.00           H  
HETATM  135  H   UNL     1       0.641  -2.416   3.790  1.00  0.00           H  
HETATM  136  H   UNL     1      -1.369  -3.326   4.229  1.00  0.00           H  
HETATM  137  H   UNL     1      -2.495  -5.466   3.746  1.00  0.00           H  
HETATM  138  H   UNL     1      -2.907  -4.264   2.499  1.00  0.00           H  
HETATM  139  H   UNL     1      -2.238  -7.430   0.611  1.00  0.00           H  
HETATM  140  H   UNL     1      -2.982  -7.359   2.227  1.00  0.00           H  
HETATM  141  H   UNL     1      -3.475  -6.201   0.968  1.00  0.00           H  
HETATM  142  H   UNL     1      -0.725  -7.223   3.238  1.00  0.00           H  
HETATM  143  H   UNL     1       1.065  -5.014   2.126  1.00  0.00           H  
HETATM  144  H   UNL     1       1.447  -7.001   4.411  1.00  0.00           H  
HETATM  145  H   UNL     1       2.284  -7.051   2.841  1.00  0.00           H  
HETATM  146  H   UNL     1       2.580  -5.703   3.965  1.00  0.00           H  
HETATM  147  H   UNL     1       2.392  -2.477   2.419  1.00  0.00           H  
HETATM  148  H   UNL     1       1.366   0.032   1.217  1.00  0.00           H  
HETATM  149  H   UNL     1       2.217  -0.107   2.774  1.00  0.00           H  
HETATM  150  H   UNL     1       3.031  -0.596   1.268  1.00  0.00           H  
HETATM  151  H   UNL     1      -2.217   2.421  -0.776  1.00  0.00           H  
HETATM  152  H   UNL     1      -3.438   0.341  -0.252  1.00  0.00           H  
HETATM  153  H   UNL     1      -1.688   0.026  -0.334  1.00  0.00           H  
HETATM  154  H   UNL     1      -2.497   0.152   1.247  1.00  0.00           H  
HETATM  155  H   UNL     1      -3.335   2.293   2.060  1.00  0.00           H  
HETATM  156  H   UNL     1      -3.045   3.798   1.155  1.00  0.00           H  
HETATM  157  H   UNL     1      -5.403   4.266   1.274  1.00  0.00           H  
HETATM  158  H   UNL     1      -6.673   4.181   3.344  1.00  0.00           H  
HETATM  159  H   UNL     1      -7.209   1.326   4.282  1.00  0.00           H  
HETATM  160  H   UNL     1      -6.051   2.460   5.018  1.00  0.00           H  
HETATM  161  H   UNL     1      -7.796   2.807   5.076  1.00  0.00           H  
HETATM  162  H   UNL     1      -8.450   1.961   2.231  1.00  0.00           H  
HETATM  163  H   UNL     1      -9.000   3.591   0.466  1.00  0.00           H  
HETATM  164  H   UNL     1      -9.634   5.559   2.153  1.00  0.00           H  
HETATM  165  H   UNL     1      -8.747   6.948   1.482  1.00  0.00           H  
HETATM  166  H   UNL     1      -9.579   5.813   0.392  1.00  0.00           H  
HETATM  167  H   UNL     1      -7.120   2.051   0.062  1.00  0.00           H  
HETATM  168  H   UNL     1      -5.227   2.602  -1.730  1.00  0.00           H  
HETATM  169  H   UNL     1      -6.881   2.162  -2.220  1.00  0.00           H  
HETATM  170  H   UNL     1      -6.095   3.595  -2.925  1.00  0.00           H  
HETATM  171  H   UNL     1      -1.319  -1.491  -2.066  1.00  0.00           H  
HETATM  172  H   UNL     1       5.005   0.856   1.176  1.00  0.00           H  
HETATM  173  H   UNL     1      -1.767  -4.435   0.361  1.00  0.00           H  
HETATM  174  H   UNL     1       0.956  -7.943   1.701  1.00  0.00           H  
HETATM  175  H   UNL     1      -9.392   3.235   4.021  1.00  0.00           H  
HETATM  176  H   UNL     1      -3.423  -2.009  -1.060  1.00  0.00           H  
CONECT    1    2   64   43   84                                       
CONECT    2    3    4    1   85                                       
CONECT    3    2   86   87   88                                       
CONECT    4    5    2   89   90                                       
CONECT    5   65   20    6    4                                       
CONECT    6    5   91   92   93                                       
CONECT    7   58   66   66   65                                       
CONECT    8   15   58   94   95                                       
CONECT    9   62   96   97   98                                       
CONECT   10   11   56   57   57                                       
CONECT   11   12   10   99  100                                       
CONECT   12   13   63   11  101                                       
CONECT   13   12  102  103  104                                       
CONECT   14   63   64   56  105                                       
CONECT   15   59    8  106  107                                       
CONECT   16   17   59   60   60                                       
CONECT   17   16  108  109  110                                       
CONECT   18   60   19   19  111                                       
CONECT   19   59   18   18   61                                       
CONECT   20   69   69    5   21                                       
CONECT   21   22   20   23  112                                       
CONECT   22   21  113  114  115                                       
CONECT   23   21   70   29  116                                       
CONECT   24   25   70   71   71                                       
CONECT   25   26   24  117  118                                       
CONECT   26   28   25   27  119                                       
CONECT   27   26  120  121  122                                       
CONECT   28   26  123  124  125                                       
CONECT   29   23   30   31  126                                       
CONECT   30   29  127  128  129                                       
CONECT   31   29   45   72  130                                       
CONECT   32   72   73   73   33                                       
CONECT   33   35   32   34  131                                       
CONECT   34   33  132  133  134                                       
CONECT   35   43   74   33  135                                       
CONECT   36   77   74   37  136                                       
CONECT   37   36   38  137  138                                       
CONECT   38   40   75   37   39                                       
CONECT   39   38  139  140  141                                       
CONECT   40   41   76   38  142                                       
CONECT   41   42   77   40  143                                       
CONECT   42   41  144  145  146                                       
CONECT   43    1   35   44  147                                       
CONECT   44   43  148  149  150                                       
CONECT   45   47   31   46  151                                       
CONECT   46   45  152  153  154                                       
CONECT   47   78   45  155  156                                       
CONECT   48   79   54   78  157                                       
CONECT   49   50   51   79  158                                       
CONECT   50   49  159  160  161                                       
CONECT   51   49   80   52  162                                       
CONECT   52   51   54   81  163                                       
CONECT   53   81  164  165  166                                       
CONECT   54   52   48   82  167                                       
CONECT   55   82  168  169  170                                       
CONECT   56   14   10   83  171                                       
CONECT   57   10   10   62                                            
CONECT   58    8    7  172                                            
CONECT   59   15   16   19                                            
CONECT   60   16   16   18                                            
CONECT   61   67   67   19   68                                       
CONECT   62   57    9                                                 
CONECT   63   12   14                                                 
CONECT   64    1   14                                                 
CONECT   65    7    5                                                 
CONECT   66    7    7                                                 
CONECT   67   61   61                                                 
CONECT   68   61                                                      
CONECT   69   20   20                                                 
CONECT   70   23   24                                                 
CONECT   71   24   24                                                 
CONECT   72   31   32                                                 
CONECT   73   32   32                                                 
CONECT   74   35   36                                                 
CONECT   75   38  173                                                 
CONECT   76   40  174                                                 
CONECT   77   41   36                                                 
CONECT   78   48   47                                                 
CONECT   79   49   48                                                 
CONECT   80   51  175                                                 
CONECT   81   52   53                                                 
CONECT   82   54   55                                                 
CONECT   83   56  176                                                 
CONECT   84    1                                                      
CONECT   85    2                                                      
CONECT   86    3                                                      
CONECT   87    3                                                      
CONECT   88    3                                                      
CONECT   89    4                                                      
CONECT   90    4                                                      
CONECT   91    6                                                      
CONECT   92    6                                                      
CONECT   93    6                                                      
CONECT   94    8                                                      
CONECT   95    8                                                      
CONECT   96    9                                                      
CONECT   97    9                                                      
CONECT   98    9                                                      
CONECT   99   11                                                      
CONECT  100   11                                                      
CONECT  101   12                                                      
CONECT  102   13                                                      
CONECT  103   13                                                      
CONECT  104   13                                                      
CONECT  105   14                                                      
CONECT  106   15                                                      
CONECT  107   15                                                      
CONECT  108   17                                                      
CONECT  109   17                                                      
CONECT  110   17                                                      
CONECT  111   18                                                      
CONECT  112   21                                                      
CONECT  113   22                                                      
CONECT  114   22                                                      
CONECT  115   22                                                      
CONECT  116   23                                                      
CONECT  117   25                                                      
CONECT  118   25                                                      
CONECT  119   26                                                      
CONECT  120   27                                                      
CONECT  121   27                                                      
CONECT  122   27                                                      
CONECT  123   28                                                      
CONECT  124   28                                                      
CONECT  125   28                                                      
CONECT  126   29                                                      
CONECT  127   30                                                      
CONECT  128   30                                                      
CONECT  129   30                                                      
CONECT  130   31                                                      
CONECT  131   33                                                      
CONECT  132   34                                                      
CONECT  133   34                                                      
CONECT  134   34                                                      
CONECT  135   35                                                      
CONECT  136   36                                                      
CONECT  137   37                                                      
CONECT  138   37                                                      
CONECT  139   39                                                      
CONECT  140   39                                                      
CONECT  141   39                                                      
CONECT  142   40                                                      
CONECT  143   41                                                      
CONECT  144   42                                                      
CONECT  145   42                                                      
CONECT  146   42                                                      
CONECT  147   43                                                      
CONECT  148   44                                                      
CONECT  149   44                                                      
CONECT  150   44                                                      
CONECT  151   45                                                      
CONECT  152   46                                                      
CONECT  153   46                                                      
CONECT  154   46                                                      
CONECT  155   47                                                      
CONECT  156   47                                                      
CONECT  157   48                                                      
CONECT  158   49                                                      
CONECT  159   50                                                      
CONECT  160   50                                                      
CONECT  161   50                                                      
CONECT  162   51                                                      
CONECT  163   52                                                      
CONECT  164   53                                                      
CONECT  165   53                                                      
CONECT  166   53                                                      
CONECT  167   54                                                      
CONECT  168   55                                                      
CONECT  169   55                                                      
CONECT  170   55                                                      
CONECT  171   56                                                      
CONECT  172   58                                                      
CONECT  173   75                                                      
CONECT  174   76                                                      
CONECT  175   80                                                      
CONECT  176   83                                                      
MASTER        0    0    0    0    0    0    0    0  176    0  176    0
END
