COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      42.397 -24.108  15.768  1.00  0.00           C  
HETATM    2  C   UNL     1      43.454 -25.217  15.662  1.00  0.00           C  
HETATM    3  C   UNL     1      42.792 -26.566  15.881  1.00  0.00           C  
HETATM    4  C   UNL     1      42.004 -26.620  17.180  1.00  0.00           C  
HETATM    5  C   UNL     1      40.986 -25.497  17.195  1.00  0.00           C  
HETATM    6  C   UNL     1      40.258 -25.429  18.534  1.00  0.00           C  
HETATM    7  O   UNL     1      44.138 -25.223  14.404  1.00  0.00           O  
HETATM    8  O   UNL     1      43.756 -27.572  15.963  1.00  0.00           O  
HETATM    9  O   UNL     1      41.310 -27.852  17.231  1.00  0.00           O  
HETATM   10  O   UNL     1      41.671 -24.243  16.988  1.00  0.00           O  
HETATM   11  O   UNL     1      39.386 -24.312  18.448  1.00  0.00           O  
HETATM   12  C   UNL     1      41.349 -28.618  18.449  1.00  0.00           C  
HETATM   13  C   UNL     1      41.824 -30.022  18.099  1.00  0.00           C  
HETATM   14  C   UNL     1      40.838 -30.740  17.174  1.00  0.00           C  
HETATM   15  C   UNL     1      39.482 -30.767  17.778  1.00  0.00           C  
HETATM   16  C   UNL     1      39.108 -29.333  18.013  1.00  0.00           C  
HETATM   17  C   UNL     1      37.690 -29.207  18.517  1.00  0.00           C  
HETATM   18  O   UNL     1      43.028 -29.942  17.368  1.00  0.00           O  
HETATM   19  O   UNL     1      41.221 -32.069  16.816  1.00  0.00           O  
HETATM   20  O   UNL     1      38.654 -31.354  16.781  1.00  0.00           O  
HETATM   21  O   UNL     1      40.023 -28.746  18.941  1.00  0.00           O  
HETATM   22  O   UNL     1      37.728 -29.337  19.928  1.00  0.00           O  
HETATM   23  C   UNL     1      37.883 -32.531  17.136  1.00  0.00           C  
HETATM   24  C   UNL     1      37.915 -33.502  15.972  1.00  0.00           C  
HETATM   25  C   UNL     1      37.173 -32.922  14.766  1.00  0.00           C  
HETATM   26  C   UNL     1      35.760 -32.447  15.120  1.00  0.00           C  
HETATM   27  C   UNL     1      35.866 -31.516  16.306  1.00  0.00           C  
HETATM   28  C   UNL     1      34.539 -31.016  16.834  1.00  0.00           C  
HETATM   29  O   UNL     1      39.277 -33.764  15.593  1.00  0.00           O  
HETATM   30  O   UNL     1      37.170 -33.844  13.670  1.00  0.00           O  
HETATM   31  O   UNL     1      35.242 -31.709  14.026  1.00  0.00           O  
HETATM   32  O   UNL     1      36.513 -32.210  17.355  1.00  0.00           O  
HETATM   33  O   UNL     1      34.108 -31.939  17.844  1.00  0.00           O  
HETATM   34  C   UNL     1      34.102 -32.190  13.348  1.00  0.00           C  
HETATM   35  C   UNL     1      34.412 -32.342  11.867  1.00  0.00           C  
HETATM   36  C   UNL     1      34.717 -30.996  11.219  1.00  0.00           C  
HETATM   37  C   UNL     1      33.547 -30.047  11.475  1.00  0.00           C  
HETATM   38  C   UNL     1      33.253 -29.959  12.990  1.00  0.00           C  
HETATM   39  C   UNL     1      32.018 -29.174  13.420  1.00  0.00           C  
HETATM   40  O   UNL     1      35.512 -33.233  11.753  1.00  0.00           O  
HETATM   41  O   UNL     1      34.857 -31.176   9.798  1.00  0.00           O  
HETATM   42  O   UNL     1      33.940 -28.788  10.885  1.00  0.00           O  
HETATM   43  O   UNL     1      33.053 -31.249  13.543  1.00  0.00           O  
HETATM   44  O   UNL     1      30.839 -29.734  12.797  1.00  0.00           O  
HETATM   45  C   UNL     1      33.000 -28.138  10.046  1.00  0.00           C  
HETATM   46  C   UNL     1      33.621 -27.763   8.714  1.00  0.00           C  
HETATM   47  C   UNL     1      34.762 -26.761   8.927  1.00  0.00           C  
HETATM   48  C   UNL     1      34.247 -25.545   9.680  1.00  0.00           C  
HETATM   49  C   UNL     1      33.509 -25.924  10.954  1.00  0.00           C  
HETATM   50  C   UNL     1      32.733 -24.697  11.457  1.00  0.00           C  
HETATM   51  O   UNL     1      34.124 -28.922   8.058  1.00  0.00           O  
HETATM   52  O   UNL     1      35.288 -26.297   7.689  1.00  0.00           O  
HETATM   53  O   UNL     1      35.385 -24.726  10.013  1.00  0.00           O  
HETATM   54  O   UNL     1      32.527 -26.979  10.733  1.00  0.00           O  
HETATM   55  O   UNL     1      32.527 -24.971  12.837  1.00  0.00           O  
HETATM   56  C   UNL     1      35.189 -23.353   9.716  1.00  0.00           C  
HETATM   57  C   UNL     1      36.302 -22.938   8.802  1.00  0.00           C  
HETATM   58  C   UNL     1      37.650 -23.137   9.510  1.00  0.00           C  
HETATM   59  C   UNL     1      37.655 -22.444  10.840  1.00  0.00           C  
HETATM   60  C   UNL     1      36.391 -22.612  11.704  1.00  0.00           C  
HETATM   61  C   UNL     1      36.293 -21.696  12.903  1.00  0.00           C  
HETATM   62  O   UNL     1      36.235 -23.705   7.578  1.00  0.00           O  
HETATM   63  O   UNL     1      38.705 -22.640   8.676  1.00  0.00           O  
HETATM   64  O   UNL     1      38.816 -22.870  11.519  1.00  0.00           O  
HETATM   65  O   UNL     1      35.163 -22.648  10.969  1.00  0.00           O  
HETATM   66  O   UNL     1      35.547 -22.358  13.910  1.00  0.00           O  
HETATM   67  C   UNL     1      39.885 -21.912  11.668  1.00  0.00           C  
HETATM   68  C   UNL     1      41.203 -22.607  11.340  1.00  0.00           C  
HETATM   69  C   UNL     1      41.464 -23.716  12.348  1.00  0.00           C  
HETATM   70  C   UNL     1      41.437 -23.125  13.770  1.00  0.00           C  
HETATM   71  C   UNL     1      40.148 -22.331  14.033  1.00  0.00           C  
HETATM   72  C   UNL     1      40.060 -21.653  15.389  1.00  0.00           C  
HETATM   73  O   UNL     1      41.171 -23.096   9.997  1.00  0.00           O  
HETATM   74  O   UNL     1      42.714 -24.400  12.073  1.00  0.00           O  
HETATM   75  O   UNL     1      41.488 -24.216  14.667  1.00  0.00           O  
HETATM   76  O   UNL     1      39.935 -21.370  13.002  1.00  0.00           O  
HETATM   77  O   UNL     1      38.695 -21.228  15.545  1.00  0.00           O  
HETATM   78  C   UNL     1      38.406 -20.726  16.827  1.00  0.00           C  
HETATM   79  C   UNL     1      36.896 -20.526  16.972  1.00  0.00           C  
HETATM   80  C   UNL     1      36.364 -19.413  16.088  1.00  0.00           C  
HETATM   81  C   UNL     1      37.194 -18.160  16.380  1.00  0.00           C  
HETATM   82  C   UNL     1      38.703 -18.445  16.148  1.00  0.00           C  
HETATM   83  C   UNL     1      39.561 -17.181  16.344  1.00  0.00           C  
HETATM   84  O   UNL     1      36.197 -21.739  16.663  1.00  0.00           O  
HETATM   85  O   UNL     1      34.959 -19.284  16.393  1.00  0.00           O  
HETATM   86  O   UNL     1      36.799 -17.085  15.514  1.00  0.00           O  
HETATM   87  O   UNL     1      39.109 -19.493  17.036  1.00  0.00           O  
HETATM   88  O   UNL     1      39.464 -16.696  17.701  1.00  0.00           O  
HETATM   89  H   UNL     1      42.908 -23.134  15.739  1.00  0.00           H  
HETATM   90  H   UNL     1      44.185 -25.062  16.469  1.00  0.00           H  
HETATM   91  H   UNL     1      42.105 -26.761  15.044  1.00  0.00           H  
HETATM   92  H   UNL     1      42.689 -26.513  18.034  1.00  0.00           H  
HETATM   93  H   UNL     1      40.251 -25.665  16.394  1.00  0.00           H  
HETATM   94  H   UNL     1      39.683 -26.351  18.704  1.00  0.00           H  
HETATM   95  H   UNL     1      40.978 -25.290  19.354  1.00  0.00           H  
HETATM   96  H   UNL     1      44.777 -25.926  14.394  1.00  0.00           H  
HETATM   97  H   UNL     1      43.329 -28.410  16.100  1.00  0.00           H  
HETATM   98  H   UNL     1      38.904 -24.222  19.262  1.00  0.00           H  
HETATM   99  H   UNL     1      42.020 -28.162  19.192  1.00  0.00           H  
HETATM  100  H   UNL     1      41.956 -30.608  19.021  1.00  0.00           H  
HETATM  101  H   UNL     1      40.775 -30.143  16.252  1.00  0.00           H  
HETATM  102  H   UNL     1      39.473 -31.338  18.718  1.00  0.00           H  
HETATM  103  H   UNL     1      39.177 -28.799  17.054  1.00  0.00           H  
HETATM  104  H   UNL     1      37.279 -28.225  18.241  1.00  0.00           H  
HETATM  105  H   UNL     1      37.065 -30.001  18.083  1.00  0.00           H  
HETATM  106  H   UNL     1      43.688 -29.503  17.891  1.00  0.00           H  
HETATM  107  H   UNL     1      42.089 -32.056  16.429  1.00  0.00           H  
HETATM  108  H   UNL     1      36.848 -29.262  20.277  1.00  0.00           H  
HETATM  109  H   UNL     1      38.314 -33.014  18.025  1.00  0.00           H  
HETATM  110  H   UNL     1      37.422 -34.438  16.274  1.00  0.00           H  
HETATM  111  H   UNL     1      37.734 -32.030  14.452  1.00  0.00           H  
HETATM  112  H   UNL     1      35.124 -33.309  15.367  1.00  0.00           H  
HETATM  113  H   UNL     1      36.470 -30.646  16.010  1.00  0.00           H  
HETATM  114  H   UNL     1      34.660 -30.013  17.268  1.00  0.00           H  
HETATM  115  H   UNL     1      33.800 -30.977  16.020  1.00  0.00           H  
HETATM  116  H   UNL     1      39.749 -34.125  16.334  1.00  0.00           H  
HETATM  117  H   UNL     1      38.061 -34.115  13.481  1.00  0.00           H  
HETATM  118  H   UNL     1      33.274 -31.654  18.199  1.00  0.00           H  
HETATM  119  H   UNL     1      33.807 -33.171  13.749  1.00  0.00           H  
HETATM  120  H   UNL     1      33.531 -32.774  11.370  1.00  0.00           H  
HETATM  121  H   UNL     1      35.636 -30.576  11.654  1.00  0.00           H  
HETATM  122  H   UNL     1      32.654 -30.438  10.966  1.00  0.00           H  
HETATM  123  H   UNL     1      34.127 -29.494  13.469  1.00  0.00           H  
HETATM  124  H   UNL     1      32.129 -28.123  13.114  1.00  0.00           H  
HETATM  125  H   UNL     1      31.914 -29.228  14.514  1.00  0.00           H  
HETATM  126  H   UNL     1      35.293 -34.061  12.165  1.00  0.00           H  
HETATM  127  H   UNL     1      35.582 -31.765   9.623  1.00  0.00           H  
HETATM  128  H   UNL     1      30.073 -29.242  13.068  1.00  0.00           H  
HETATM  129  H   UNL     1      32.155 -28.815   9.851  1.00  0.00           H  
HETATM  130  H   UNL     1      32.851 -27.285   8.090  1.00  0.00           H  
HETATM  131  H   UNL     1      35.552 -27.243   9.522  1.00  0.00           H  
HETATM  132  H   UNL     1      33.562 -24.986   9.026  1.00  0.00           H  
HETATM  133  H   UNL     1      34.235 -26.233  11.720  1.00  0.00           H  
HETATM  134  H   UNL     1      31.773 -24.597  10.929  1.00  0.00           H  
HETATM  135  H   UNL     1      33.323 -23.778  11.323  1.00  0.00           H  
HETATM  136  H   UNL     1      33.418 -29.543   7.926  1.00  0.00           H  
HETATM  137  H   UNL     1      35.991 -25.680   7.854  1.00  0.00           H  
HETATM  138  H   UNL     1      32.047 -24.254  13.234  1.00  0.00           H  
HETATM  139  H   UNL     1      34.231 -23.215   9.194  1.00  0.00           H  
HETATM  140  H   UNL     1      36.189 -21.869   8.571  1.00  0.00           H  
HETATM  141  H   UNL     1      37.792 -24.215   9.677  1.00  0.00           H  
HETATM  142  H   UNL     1      37.754 -21.367  10.639  1.00  0.00           H  
HETATM  143  H   UNL     1      36.496 -23.617  12.138  1.00  0.00           H  
HETATM  144  H   UNL     1      37.301 -21.465  13.278  1.00  0.00           H  
HETATM  145  H   UNL     1      35.786 -20.763  12.617  1.00  0.00           H  
HETATM  146  H   UNL     1      35.393 -23.564   7.161  1.00  0.00           H  
HETATM  147  H   UNL     1      39.539 -22.763   9.113  1.00  0.00           H  
HETATM  148  H   UNL     1      35.475 -21.796  14.673  1.00  0.00           H  
HETATM  149  H   UNL     1      39.741 -21.093  10.948  1.00  0.00           H  
HETATM  150  H   UNL     1      42.010 -21.865  11.435  1.00  0.00           H  
HETATM  151  H   UNL     1      40.640 -24.441  12.273  1.00  0.00           H  
HETATM  152  H   UNL     1      42.305 -22.463  13.904  1.00  0.00           H  
HETATM  153  H   UNL     1      39.322 -23.056  13.990  1.00  0.00           H  
HETATM  154  H   UNL     1      40.331 -22.361  16.186  1.00  0.00           H  
HETATM  155  H   UNL     1      40.735 -20.785  15.424  1.00  0.00           H  
HETATM  156  H   UNL     1      41.993 -23.528   9.797  1.00  0.00           H  
HETATM  157  H   UNL     1      42.849 -25.085  12.717  1.00  0.00           H  
HETATM  158  H   UNL     1      38.724 -21.455  17.587  1.00  0.00           H  
HETATM  159  H   UNL     1      36.693 -20.253  18.018  1.00  0.00           H  
HETATM  160  H   UNL     1      36.499 -19.694  15.033  1.00  0.00           H  
HETATM  161  H   UNL     1      37.048 -17.873  17.432  1.00  0.00           H  
HETATM  162  H   UNL     1      38.826 -18.780  15.108  1.00  0.00           H  
HETATM  163  H   UNL     1      40.611 -17.421  16.122  1.00  0.00           H  
HETATM  164  H   UNL     1      39.210 -16.398  15.656  1.00  0.00           H  
HETATM  165  H   UNL     1      36.524 -22.442  17.212  1.00  0.00           H  
HETATM  166  H   UNL     1      34.514 -20.097  16.186  1.00  0.00           H  
HETATM  167  H   UNL     1      37.321 -16.315  15.706  1.00  0.00           H  
HETATM  168  H   UNL     1      40.000 -15.918  17.799  1.00  0.00           H  
CONECT    1   75    2   10   89                                       
CONECT    2    7    1    3   90                                       
CONECT    3    2    8    4   91                                       
CONECT    4    3    5    9   92                                       
CONECT    5   10    4    6   93                                       
CONECT    6    5   11   94   95                                       
CONECT    7    2   96                                                 
CONECT    8    3   97                                                 
CONECT    9    4   12                                                 
CONECT   10    1    5                                                 
CONECT   11    6   98                                                 
CONECT   12    9   13   21   99                                       
CONECT   13   14   18   12  100                                       
CONECT   14   19   15   13  101                                       
CONECT   15   20   14   16  102                                       
CONECT   16   15   17   21  103                                       
CONECT   17   16   22  104  105                                       
CONECT   18   13  106                                                 
CONECT   19   14  107                                                 
CONECT   20   23   15                                                 
CONECT   21   16   12                                                 
CONECT   22   17  108                                                 
CONECT   23   24   20   32  109                                       
CONECT   24   25   29   23  110                                       
CONECT   25   30   26   24  111                                       
CONECT   26   31   25   27  112                                       
CONECT   27   26   28   32  113                                       
CONECT   28   27   33  114  115                                       
CONECT   29   24  116                                                 
CONECT   30   25  117                                                 
CONECT   31   34   26                                                 
CONECT   32   27   23                                                 
CONECT   33   28  118                                                 
CONECT   34   35   43   31  119                                       
CONECT   35   36   40   34  120                                       
CONECT   36   41   37   35  121                                       
CONECT   37   42   36   38  122                                       
CONECT   38   37   39   43  123                                       
CONECT   39   44   38  124  125                                       
CONECT   40   35  126                                                 
CONECT   41   36  127                                                 
CONECT   42   45   37                                                 
CONECT   43   38   34                                                 
CONECT   44   39  128                                                 
CONECT   45   46   54   42  129                                       
CONECT   46   51   47   45  130                                       
CONECT   47   52   46   48  131                                       
CONECT   48   47   53   49  132                                       
CONECT   49   48   54   50  133                                       
CONECT   50   49   55  135  134                                       
CONECT   51   46  136                                                 
CONECT   52   47  137                                                 
CONECT   53   48   56                                                 
CONECT   54   45   49                                                 
CONECT   55   50  138                                                 
CONECT   56   57   53   65  139                                       
CONECT   57   62   58   56  140                                       
CONECT   58   63   57   59  141                                       
CONECT   59   58   64   60  142                                       
CONECT   60   59   65   61  143                                       
CONECT   61   60   66  144  145                                       
CONECT   62   57  146                                                 
CONECT   63   58  147                                                 
CONECT   64   59   67                                                 
CONECT   65   56   60                                                 
CONECT   66   61  148                                                 
CONECT   67   68   64   76  149                                       
CONECT   68   73   67   69  150                                       
CONECT   69   68   74   70  151                                       
CONECT   70   69   71   75  152                                       
CONECT   71   76   70   72  153                                       
CONECT   72   71   77  154  155                                       
CONECT   73   68  156                                                 
CONECT   74   69  157                                                 
CONECT   75   70    1                                                 
CONECT   76   67   71                                                 
CONECT   77   72   78                                                 
CONECT   78   77   79   87  158                                       
CONECT   79   80   84   78  159                                       
CONECT   80   81   85   79  160                                       
CONECT   81   86   80   82  161                                       
CONECT   82   83   81   87  162                                       
CONECT   83   82   88  163  164                                       
CONECT   84   79  165                                                 
CONECT   85   80  166                                                 
CONECT   86   81  167                                                 
CONECT   87   82   78                                                 
CONECT   88   83  168                                                 
CONECT   89    1                                                      
CONECT   90    2                                                      
CONECT   91    3                                                      
CONECT   92    4                                                      
CONECT   93    5                                                      
CONECT   94    6                                                      
CONECT   95    6                                                      
CONECT   96    7                                                      
CONECT   97    8                                                      
CONECT   98   11                                                      
CONECT   99   12                                                      
CONECT  100   13                                                      
CONECT  101   14                                                      
CONECT  102   15                                                      
CONECT  103   16                                                      
CONECT  104   17                                                      
CONECT  105   17                                                      
CONECT  106   18                                                      
CONECT  107   19                                                      
CONECT  108   22                                                      
CONECT  109   23                                                      
CONECT  110   24                                                      
CONECT  111   25                                                      
CONECT  112   26                                                      
CONECT  113   27                                                      
CONECT  114   28                                                      
CONECT  115   28                                                      
CONECT  116   29                                                      
CONECT  117   30                                                      
CONECT  118   33                                                      
CONECT  119   34                                                      
CONECT  120   35                                                      
CONECT  121   36                                                      
CONECT  122   37                                                      
CONECT  123   38                                                      
CONECT  124   39                                                      
CONECT  125   39                                                      
CONECT  126   40                                                      
CONECT  127   41                                                      
CONECT  128   44                                                      
CONECT  129   45                                                      
CONECT  130   46                                                      
CONECT  131   47                                                      
CONECT  132   48                                                      
CONECT  133   49                                                      
CONECT  134   50                                                      
CONECT  135   50                                                      
CONECT  136   51                                                      
CONECT  137   52                                                      
CONECT  138   55                                                      
CONECT  139   56                                                      
CONECT  140   57                                                      
CONECT  141   58                                                      
CONECT  142   59                                                      
CONECT  143   60                                                      
CONECT  144   61                                                      
CONECT  145   61                                                      
CONECT  146   62                                                      
CONECT  147   63                                                      
CONECT  148   66                                                      
CONECT  149   67                                                      
CONECT  150   68                                                      
CONECT  151   69                                                      
CONECT  152   70                                                      
CONECT  153   71                                                      
CONECT  154   72                                                      
CONECT  155   72                                                      
CONECT  156   73                                                      
CONECT  157   74                                                      
CONECT  158   78                                                      
CONECT  159   79                                                      
CONECT  160   80                                                      
CONECT  161   81                                                      
CONECT  162   82                                                      
CONECT  163   83                                                      
CONECT  164   83                                                      
CONECT  165   84                                                      
CONECT  166   85                                                      
CONECT  167   86                                                      
CONECT  168   88                                                      
MASTER        0    0    0    0    0    0    0    0  168    0  168    0
END
