COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.068  -4.095   1.344  1.00  0.00           C  
HETATM    2  C   UNL     1       2.529  -5.139   0.805  1.00  0.00           C  
HETATM    3  C   UNL     1       3.856  -4.447   0.488  1.00  0.00           C  
HETATM    4  C   UNL     1       4.402  -4.976  -0.841  1.00  0.00           C  
HETATM    5  C   UNL     1       5.759  -4.324  -1.122  1.00  0.00           C  
HETATM    6  C   UNL     1       6.704  -4.609   0.050  1.00  0.00           C  
HETATM    7  C   UNL     1      15.246  16.230  -2.188  1.00  0.00           C  
HETATM    8  C   UNL     1      15.300  14.701  -2.225  1.00  0.00           C  
HETATM    9  C   UNL     1      14.005  14.131  -1.643  1.00  0.00           C  
HETATM   10  C   UNL     1      14.059  12.602  -1.680  1.00  0.00           C  
HETATM   11  C   UNL     1      12.764  12.032  -1.098  1.00  0.00           C  
HETATM   12  C   UNL     1      12.817  10.503  -1.135  1.00  0.00           C  
HETATM   13  C   UNL     1      11.522   9.933  -0.553  1.00  0.00           C  
HETATM   14  C   UNL     1      11.576   8.405  -0.590  1.00  0.00           C  
HETATM   15  C   UNL     1      10.281   7.834  -0.007  1.00  0.00           C  
HETATM   16  C   UNL     1      10.335   6.306  -0.044  1.00  0.00           C  
HETATM   17  C   UNL     1       9.040   5.736   0.538  1.00  0.00           C  
HETATM   18  C   UNL     1       9.094   4.207   0.501  1.00  0.00           C  
HETATM   19  C   UNL     1       7.799   3.637   1.083  1.00  0.00           C  
HETATM   20  C   UNL     1       7.853   2.108   1.046  1.00  0.00           C  
HETATM   21  C   UNL     1       6.558   1.538   1.628  1.00  0.00           C  
HETATM   22  O   UNL     1       5.459   1.898   0.789  1.00  0.00           O  
HETATM   23  C   UNL     1       6.662   0.014   1.707  1.00  0.00           C  
HETATM   24  O   UNL     1       7.761  -0.346   2.546  1.00  0.00           O  
HETATM   25  C   UNL     1       5.367  -0.557   2.289  1.00  0.00           C  
HETATM   26  C   UNL     1       5.521  -2.065   2.495  1.00  0.00           C  
HETATM   27  O   UNL     1       5.897  -2.678   1.261  1.00  0.00           O  
HETATM   28  O   UNL     1       7.950  -3.945  -0.168  1.00  0.00           O  
HETATM   29  O   UNL     1       6.311  -4.866  -2.324  1.00  0.00           O  
HETATM   30  O   UNL     1       4.796  -4.718   1.530  1.00  0.00           O  
HETATM   31  O   UNL     1       1.962  -4.564   1.985  1.00  0.00           O  
HETATM   32  O   UNL     1       4.562  -6.394  -0.761  1.00  0.00           O  
HETATM   33  C   UNL     1       4.400  -7.069  -2.011  1.00  0.00           C  
HETATM   34  C   UNL     1       4.589  -8.550  -1.810  1.00  0.00           C  
HETATM   35  C   UNL     1       3.503  -9.349  -1.502  1.00  0.00           C  
HETATM   36  C   UNL     1       3.676 -10.708  -1.317  1.00  0.00           C  
HETATM   37  C   UNL     1       4.934 -11.268  -1.441  1.00  0.00           C  
HETATM   38  C   UNL     1       5.122 -12.750  -1.239  1.00  0.00           C  
HETATM   39  C   UNL     1       6.597 -13.107  -1.431  1.00  0.00           C  
HETATM   40  C   UNL     1       4.685 -13.131   0.177  1.00  0.00           C  
HETATM   41  C   UNL     1       4.275 -13.515  -2.258  1.00  0.00           C  
HETATM   42  C   UNL     1       6.019 -10.469  -1.749  1.00  0.00           C  
HETATM   43  C   UNL     1       5.845  -9.111  -1.939  1.00  0.00           C  
HETATM   44  N   UNL     1       4.261  -0.301   1.362  1.00  0.00           N  
HETATM   45  C   UNL     1       2.997  -0.237   1.824  1.00  0.00           C  
HETATM   46  O   UNL     1       2.774  -0.390   3.007  1.00  0.00           O  
HETATM   47  C   UNL     1       1.859   0.026   0.871  1.00  0.00           C  
HETATM   48  C   UNL     1       0.540   0.050   1.646  1.00  0.00           C  
HETATM   49  C   UNL     1      -0.615   0.316   0.679  1.00  0.00           C  
HETATM   50  C   UNL     1      -1.934   0.340   1.454  1.00  0.00           C  
HETATM   51  C   UNL     1      -3.089   0.607   0.486  1.00  0.00           C  
HETATM   52  C   UNL     1      -4.408   0.630   1.261  1.00  0.00           C  
HETATM   53  C   UNL     1      -5.563   0.897   0.294  1.00  0.00           C  
HETATM   54  C   UNL     1      -6.883   0.920   1.068  1.00  0.00           C  
HETATM   55  C   UNL     1      -8.037   1.187   0.101  1.00  0.00           C  
HETATM   56  C   UNL     1      -9.357   1.210   0.876  1.00  0.00           C  
HETATM   57  C   UNL     1     -10.512   1.477  -0.092  1.00  0.00           C  
HETATM   58  C   UNL     1     -11.831   1.500   0.683  1.00  0.00           C  
HETATM   59  C   UNL     1     -12.986   1.767  -0.284  1.00  0.00           C  
HETATM   60  C   UNL     1     -14.305   1.791   0.490  1.00  0.00           C  
HETATM   61  C   UNL     1     -15.460   2.057  -0.477  1.00  0.00           C  
HETATM   62  C   UNL     1     -16.779   2.081   0.298  1.00  0.00           C  
HETATM   63  C   UNL     1     -17.934   2.348  -0.669  1.00  0.00           C  
HETATM   64  C   UNL     1     -19.253   2.371   0.105  1.00  0.00           C  
HETATM   65  C   UNL     1     -20.408   2.638  -0.862  1.00  0.00           C  
HETATM   66  C   UNL     1     -21.727   2.661  -0.087  1.00  0.00           C  
HETATM   67  C   UNL     1     -22.882   2.928  -1.055  1.00  0.00           C  
HETATM   68  C   UNL     1     -24.201   2.951  -0.280  1.00  0.00           C  
HETATM   69  C   UNL     1     -25.356   3.218  -1.247  1.00  0.00           C  
HETATM   70  C   UNL     1     -26.675   3.241  -0.473  1.00  0.00           C  
HETATM   71  C   UNL     1     -27.830   3.508  -1.440  1.00  0.00           C  
HETATM   72  H   UNL     1       6.716  -4.333   2.187  1.00  0.00           H  
HETATM   73  H   UNL     1       1.841  -5.007  -0.030  1.00  0.00           H  
HETATM   74  H   UNL     1       2.703  -6.203   0.967  1.00  0.00           H  
HETATM   75  H   UNL     1       3.696  -3.372   0.413  1.00  0.00           H  
HETATM   76  H   UNL     1       3.707  -4.733  -1.644  1.00  0.00           H  
HETATM   77  H   UNL     1       5.630  -3.247  -1.232  1.00  0.00           H  
HETATM   78  H   UNL     1       6.872  -5.684   0.129  1.00  0.00           H  
HETATM   79  H   UNL     1      15.133  16.564  -1.157  1.00  0.00           H  
HETATM   80  H   UNL     1      16.168  16.636  -2.603  1.00  0.00           H  
HETATM   81  H   UNL     1      14.398  16.578  -2.778  1.00  0.00           H  
HETATM   82  H   UNL     1      15.413  14.366  -3.256  1.00  0.00           H  
HETATM   83  H   UNL     1      16.147  14.353  -1.635  1.00  0.00           H  
HETATM   84  H   UNL     1      13.892  14.465  -0.612  1.00  0.00           H  
HETATM   85  H   UNL     1      13.157  14.479  -2.233  1.00  0.00           H  
HETATM   86  H   UNL     1      14.172  12.267  -2.711  1.00  0.00           H  
HETATM   87  H   UNL     1      14.906  12.254  -1.090  1.00  0.00           H  
HETATM   88  H   UNL     1      12.650  12.367  -0.067  1.00  0.00           H  
HETATM   89  H   UNL     1      11.916  12.380  -1.688  1.00  0.00           H  
HETATM   90  H   UNL     1      12.931  10.169  -2.166  1.00  0.00           H  
HETATM   91  H   UNL     1      13.665  10.155  -0.545  1.00  0.00           H  
HETATM   92  H   UNL     1      11.409  10.268   0.479  1.00  0.00           H  
HETATM   93  H   UNL     1      10.675  10.281  -1.143  1.00  0.00           H  
HETATM   94  H   UNL     1      11.689   8.070  -1.621  1.00  0.00           H  
HETATM   95  H   UNL     1      12.424   8.057   0.001  1.00  0.00           H  
HETATM   96  H   UNL     1      10.168   8.169   1.024  1.00  0.00           H  
HETATM   97  H   UNL     1       9.434   8.182  -0.597  1.00  0.00           H  
HETATM   98  H   UNL     1      10.448   5.971  -1.076  1.00  0.00           H  
HETATM   99  H   UNL     1      11.183   5.958   0.546  1.00  0.00           H  
HETATM  100  H   UNL     1       8.927   6.070   1.569  1.00  0.00           H  
HETATM  101  H   UNL     1       8.192   6.084  -0.052  1.00  0.00           H  
HETATM  102  H   UNL     1       9.207   3.872  -0.530  1.00  0.00           H  
HETATM  103  H   UNL     1       9.942   3.859   1.091  1.00  0.00           H  
HETATM  104  H   UNL     1       7.686   3.972   2.114  1.00  0.00           H  
HETATM  105  H   UNL     1       6.951   3.985   0.493  1.00  0.00           H  
HETATM  106  H   UNL     1       7.966   1.774   0.015  1.00  0.00           H  
HETATM  107  H   UNL     1       8.701   1.760   1.636  1.00  0.00           H  
HETATM  108  H   UNL     1       6.400   1.943   2.628  1.00  0.00           H  
HETATM  109  H   UNL     1       5.533   1.570  -0.118  1.00  0.00           H  
HETATM  110  H   UNL     1       6.820  -0.392   0.707  1.00  0.00           H  
HETATM  111  H   UNL     1       7.725   0.044   3.430  1.00  0.00           H  
HETATM  112  H   UNL     1       5.157  -0.078   3.246  1.00  0.00           H  
HETATM  113  H   UNL     1       6.291  -2.252   3.243  1.00  0.00           H  
HETATM  114  H   UNL     1       4.574  -2.484   2.836  1.00  0.00           H  
HETATM  115  H   UNL     1       8.597  -4.082   0.537  1.00  0.00           H  
HETATM  116  H   UNL     1       7.175  -4.502  -2.559  1.00  0.00           H  
HETATM  117  H   UNL     1       1.117  -4.956   2.246  1.00  0.00           H  
HETATM  118  H   UNL     1       3.400  -6.879  -2.399  1.00  0.00           H  
HETATM  119  H   UNL     1       5.142  -6.701  -2.720  1.00  0.00           H  
HETATM  120  H   UNL     1       2.521  -8.912  -1.405  1.00  0.00           H  
HETATM  121  H   UNL     1       2.828 -11.333  -1.076  1.00  0.00           H  
HETATM  122  H   UNL     1       6.909 -12.835  -2.439  1.00  0.00           H  
HETATM  123  H   UNL     1       7.201 -12.562  -0.705  1.00  0.00           H  
HETATM  124  H   UNL     1       6.734 -14.179  -1.285  1.00  0.00           H  
HETATM  125  H   UNL     1       4.821 -14.203   0.323  1.00  0.00           H  
HETATM  126  H   UNL     1       5.288 -12.586   0.903  1.00  0.00           H  
HETATM  127  H   UNL     1       3.634 -12.877   0.314  1.00  0.00           H  
HETATM  128  H   UNL     1       3.224 -13.260  -2.121  1.00  0.00           H  
HETATM  129  H   UNL     1       4.587 -13.243  -3.266  1.00  0.00           H  
HETATM  130  H   UNL     1       4.412 -14.587  -2.112  1.00  0.00           H  
HETATM  131  H   UNL     1       7.002 -10.907  -1.846  1.00  0.00           H  
HETATM  132  H   UNL     1       6.693  -8.487  -2.181  1.00  0.00           H  
HETATM  133  H   UNL     1       4.439  -0.178   0.417  1.00  0.00           H  
HETATM  134  H   UNL     1       2.010   0.988   0.382  1.00  0.00           H  
HETATM  135  H   UNL     1       1.825  -0.762   0.120  1.00  0.00           H  
HETATM  136  H   UNL     1       0.389  -0.913   2.136  1.00  0.00           H  
HETATM  137  H   UNL     1       0.574   0.838   2.398  1.00  0.00           H  
HETATM  138  H   UNL     1      -0.464   1.279   0.189  1.00  0.00           H  
HETATM  139  H   UNL     1      -0.649  -0.472  -0.073  1.00  0.00           H  
HETATM  140  H   UNL     1      -2.085  -0.622   1.943  1.00  0.00           H  
HETATM  141  H   UNL     1      -1.900   1.128   2.205  1.00  0.00           H  
HETATM  142  H   UNL     1      -2.938   1.569  -0.003  1.00  0.00           H  
HETATM  143  H   UNL     1      -3.123  -0.182  -0.266  1.00  0.00           H  
HETATM  144  H   UNL     1      -4.559  -0.332   1.750  1.00  0.00           H  
HETATM  145  H   UNL     1      -4.374   1.419   2.013  1.00  0.00           H  
HETATM  146  H   UNL     1      -5.412   1.859  -0.196  1.00  0.00           H  
HETATM  147  H   UNL     1      -5.597   0.108  -0.458  1.00  0.00           H  
HETATM  148  H   UNL     1      -7.033  -0.042   1.558  1.00  0.00           H  
HETATM  149  H   UNL     1      -6.848   1.709   1.820  1.00  0.00           H  
HETATM  150  H   UNL     1      -7.886   2.149  -0.389  1.00  0.00           H  
HETATM  151  H   UNL     1      -8.071   0.398  -0.651  1.00  0.00           H  
HETATM  152  H   UNL     1      -9.507   0.248   1.365  1.00  0.00           H  
HETATM  153  H   UNL     1      -9.323   1.999   1.627  1.00  0.00           H  
HETATM  154  H   UNL     1     -10.361   2.439  -0.581  1.00  0.00           H  
HETATM  155  H   UNL     1     -10.545   0.688  -0.843  1.00  0.00           H  
HETATM  156  H   UNL     1     -11.982   0.538   1.173  1.00  0.00           H  
HETATM  157  H   UNL     1     -11.797   2.289   1.435  1.00  0.00           H  
HETATM  158  H   UNL     1     -12.835   2.729  -0.774  1.00  0.00           H  
HETATM  159  H   UNL     1     -13.020   0.979  -1.036  1.00  0.00           H  
HETATM  160  H   UNL     1     -14.456   0.828   0.980  1.00  0.00           H  
HETATM  161  H   UNL     1     -14.271   2.579   1.242  1.00  0.00           H  
HETATM  162  H   UNL     1     -15.309   3.020  -0.966  1.00  0.00           H  
HETATM  163  H   UNL     1     -15.494   1.269  -1.229  1.00  0.00           H  
HETATM  164  H   UNL     1     -16.930   1.119   0.787  1.00  0.00           H  
HETATM  165  H   UNL     1     -16.745   2.869   1.049  1.00  0.00           H  
HETATM  166  H   UNL     1     -17.783   3.310  -1.159  1.00  0.00           H  
HETATM  167  H   UNL     1     -17.968   1.559  -1.421  1.00  0.00           H  
HETATM  168  H   UNL     1     -19.404   1.409   0.595  1.00  0.00           H  
HETATM  169  H   UNL     1     -19.219   3.160   0.857  1.00  0.00           H  
HETATM  170  H   UNL     1     -20.257   3.600  -1.352  1.00  0.00           H  
HETATM  171  H   UNL     1     -20.442   1.849  -1.614  1.00  0.00           H  
HETATM  172  H   UNL     1     -21.878   1.699   0.402  1.00  0.00           H  
HETATM  173  H   UNL     1     -21.693   3.450   0.664  1.00  0.00           H  
HETATM  174  H   UNL     1     -22.731   3.890  -1.544  1.00  0.00           H  
HETATM  175  H   UNL     1     -22.916   2.139  -1.806  1.00  0.00           H  
HETATM  176  H   UNL     1     -24.352   1.989   0.209  1.00  0.00           H  
HETATM  177  H   UNL     1     -24.167   3.740   0.472  1.00  0.00           H  
HETATM  178  H   UNL     1     -25.205   4.180  -1.737  1.00  0.00           H  
HETATM  179  H   UNL     1     -25.390   2.429  -1.999  1.00  0.00           H  
HETATM  180  H   UNL     1     -26.826   2.279   0.017  1.00  0.00           H  
HETATM  181  H   UNL     1     -26.641   4.030   0.279  1.00  0.00           H  
HETATM  182  H   UNL     1     -28.770   3.525  -0.888  1.00  0.00           H  
HETATM  183  H   UNL     1     -27.679   4.470  -1.929  1.00  0.00           H  
HETATM  184  H   UNL     1     -27.864   2.720  -2.192  1.00  0.00           H  
CONECT    1    6   27   30   72                                       
CONECT    2    3   31   73   74                                       
CONECT    3    4   30    2   75                                       
CONECT    4    5   32    3   76                                       
CONECT    5   29    6    4   77                                       
CONECT    6   28    5    1   78                                       
CONECT    7    8   79   80   81                                       
CONECT    8    7    9   82   83                                       
CONECT    9    8   10   84   85                                       
CONECT   10    9   11   86   87                                       
CONECT   11   10   12   88   89                                       
CONECT   12   11   13   90   91                                       
CONECT   13   12   14   92   93                                       
CONECT   14   13   15   94   95                                       
CONECT   15   14   16   96   97                                       
CONECT   16   15   17   98   99                                       
CONECT   17   16   18  100  101                                       
CONECT   18   17   19  102  103                                       
CONECT   19   18   20  104  105                                       
CONECT   20   19   21  106  107                                       
CONECT   21   22   20   23  108                                       
CONECT   22   21  109                                                 
CONECT   23   21   24   25  110                                       
CONECT   24   23  111                                                 
CONECT   25   23   44   26  112                                       
CONECT   26   25   27  113  114                                       
CONECT   27   26    1                                                 
CONECT   28    6  115                                                 
CONECT   29    5  116                                                 
CONECT   30    1    3                                                 
CONECT   31    2  117                                                 
CONECT   32    4   33                                                 
CONECT   33   32   34  118  119                                       
CONECT   34   43   43   35   33                                       
CONECT   35   36   36   34  120                                       
CONECT   36   37   35   35  121                                       
CONECT   37   38   42   42   36                                       
CONECT   38   39   41   40   37                                       
CONECT   39   38  122  123  124                                       
CONECT   40   38  125  126  127                                       
CONECT   41   38  128  129  130                                       
CONECT   42   37   37   43  131                                       
CONECT   43   42   34   34  132                                       
CONECT   44   25   45  133                                            
CONECT   45   44   47   46   46                                       
CONECT   46   45   45                                                 
CONECT   47   45   48  134  135                                       
CONECT   48   49   47  136  137                                       
CONECT   49   50   48  138  139                                       
CONECT   50   51   49  140  141                                       
CONECT   51   52   50  142  143                                       
CONECT   52   53   51  144  145                                       
CONECT   53   54   52  146  147                                       
CONECT   54   53   55  148  149                                       
CONECT   55   54   56  150  151                                       
CONECT   56   55   57  152  153                                       
CONECT   57   56   58  154  155                                       
CONECT   58   57   59  156  157                                       
CONECT   59   58   60  158  159                                       
CONECT   60   59   61  160  161                                       
CONECT   61   60   62  162  163                                       
CONECT   62   61   63  164  165                                       
CONECT   63   62   64  166  167                                       
CONECT   64   65   63  168  169                                       
CONECT   65   66   64  170  171                                       
CONECT   66   67   65  172  173                                       
CONECT   67   68   66  174  175                                       
CONECT   68   69   67  176  177                                       
CONECT   69   70   68  178  179                                       
CONECT   70   71   69  180  181                                       
CONECT   71   70  182  183  184                                       
CONECT   72    1                                                      
CONECT   73    2                                                      
CONECT   74    2                                                      
CONECT   75    3                                                      
CONECT   76    4                                                      
CONECT   77    5                                                      
CONECT   78    6                                                      
CONECT   79    7                                                      
CONECT   80    7                                                      
CONECT   81    7                                                      
CONECT   82    8                                                      
CONECT   83    8                                                      
CONECT   84    9                                                      
CONECT   85    9                                                      
CONECT   86   10                                                      
CONECT   87   10                                                      
CONECT   88   11                                                      
CONECT   89   11                                                      
CONECT   90   12                                                      
CONECT   91   12                                                      
CONECT   92   13                                                      
CONECT   93   13                                                      
CONECT   94   14                                                      
CONECT   95   14                                                      
CONECT   96   15                                                      
CONECT   97   15                                                      
CONECT   98   16                                                      
CONECT   99   16                                                      
CONECT  100   17                                                      
CONECT  101   17                                                      
CONECT  102   18                                                      
CONECT  103   18                                                      
CONECT  104   19                                                      
CONECT  105   19                                                      
CONECT  106   20                                                      
CONECT  107   20                                                      
CONECT  108   21                                                      
CONECT  109   22                                                      
CONECT  110   23                                                      
CONECT  111   24                                                      
CONECT  112   25                                                      
CONECT  113   26                                                      
CONECT  114   26                                                      
CONECT  115   28                                                      
CONECT  116   29                                                      
CONECT  117   31                                                      
CONECT  118   33                                                      
CONECT  119   33                                                      
CONECT  120   35                                                      
CONECT  121   36                                                      
CONECT  122   39                                                      
CONECT  123   39                                                      
CONECT  124   39                                                      
CONECT  125   40                                                      
CONECT  126   40                                                      
CONECT  127   40                                                      
CONECT  128   41                                                      
CONECT  129   41                                                      
CONECT  130   41                                                      
CONECT  131   42                                                      
CONECT  132   43                                                      
CONECT  133   44                                                      
CONECT  134   47                                                      
CONECT  135   47                                                      
CONECT  136   48                                                      
CONECT  137   48                                                      
CONECT  138   49                                                      
CONECT  139   49                                                      
CONECT  140   50                                                      
CONECT  141   50                                                      
CONECT  142   51                                                      
CONECT  143   51                                                      
CONECT  144   52                                                      
CONECT  145   52                                                      
CONECT  146   53                                                      
CONECT  147   53                                                      
CONECT  148   54                                                      
CONECT  149   54                                                      
CONECT  150   55                                                      
CONECT  151   55                                                      
CONECT  152   56                                                      
CONECT  153   56                                                      
CONECT  154   57                                                      
CONECT  155   57                                                      
CONECT  156   58                                                      
CONECT  157   58                                                      
CONECT  158   59                                                      
CONECT  159   59                                                      
CONECT  160   60                                                      
CONECT  161   60                                                      
CONECT  162   61                                                      
CONECT  163   61                                                      
CONECT  164   62                                                      
CONECT  165   62                                                      
CONECT  166   63                                                      
CONECT  167   63                                                      
CONECT  168   64                                                      
CONECT  169   64                                                      
CONECT  170   65                                                      
CONECT  171   65                                                      
CONECT  172   66                                                      
CONECT  173   66                                                      
CONECT  174   67                                                      
CONECT  175   67                                                      
CONECT  176   68                                                      
CONECT  177   68                                                      
CONECT  178   69                                                      
CONECT  179   69                                                      
CONECT  180   70                                                      
CONECT  181   70                                                      
CONECT  182   71                                                      
CONECT  183   71                                                      
CONECT  184   71                                                      
MASTER        0    0    0    0    0    0    0    0  184    0  184    0
END
