COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       5.406   1.158   1.294  1.00  0.00           O  
HETATM    2  C   UNL     1       5.321   2.462   1.876  1.00  0.00           C  
HETATM    3  C   UNL     1       4.906   2.309   3.348  1.00  0.00           C  
HETATM    4  C   UNL     1       4.868   3.601   4.169  1.00  0.00           C  
HETATM    5  C   UNL     1       4.538   3.430   5.655  1.00  0.00           C  
HETATM    6  C   UNL     1       4.434   4.758   6.408  1.00  0.00           C  
HETATM    7  C   UNL     1       4.182   4.586   7.909  1.00  0.00           C  
HETATM    8  C   UNL     1       4.053   5.914   8.658  1.00  0.00           C  
HETATM    9  C   UNL     1       3.791   5.686  10.149  1.00  0.00           C  
HETATM   10  C   UNL     1       3.700   7.013  10.906  1.00  0.00           C  
HETATM   11  C   UNL     1       3.405   6.785  12.390  1.00  0.00           C  
HETATM   12  C   UNL     1       3.272   8.083  13.192  1.00  0.00           C  
HETATM   13  C   UNL     1       3.060   7.919  14.700  1.00  0.00           C  
HETATM   14  C   UNL     1       2.997   9.248  15.455  1.00  0.00           C  
HETATM   15  C   UNL     1       2.793   9.024  16.956  1.00  0.00           C  
HETATM   16  C   UNL     1       2.693  10.354  17.705  1.00  0.00           C  
HETATM   17  C   UNL     1       2.510  10.190  19.217  1.00  0.00           C  
HETATM   18  C   UNL     1       2.488  11.487  20.029  1.00  0.00           C  
HETATM   19  C   UNL     1       2.369  11.265  21.528  1.00  0.00           C  
HETATM   20  C   UNL     1       4.377   3.331   1.022  1.00  0.00           C  
HETATM   21  C   UNL     1       2.960   2.748   0.978  1.00  0.00           C  
HETATM   22  O   UNL     1       2.110   3.574   0.190  1.00  0.00           O  
HETATM   23  C   UNL     1       0.797   3.026   0.091  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.140   3.894  -0.752  1.00  0.00           C  
HETATM   25  O   UNL     1       0.471   4.214  -1.996  1.00  0.00           O  
HETATM   26  C   UNL     1      -0.519   5.184  -0.027  1.00  0.00           C  
HETATM   27  O   UNL     1      -1.577   5.827  -0.740  1.00  0.00           O  
HETATM   28  C   UNL     1      -1.010   4.880   1.390  1.00  0.00           C  
HETATM   29  O   UNL     1      -1.145   6.118   2.085  1.00  0.00           O  
HETATM   30  C   UNL     1      -0.032   3.957   2.131  1.00  0.00           C  
HETATM   31  C   UNL     1      -0.577   3.515   3.486  1.00  0.00           C  
HETATM   32  O   UNL     1       0.374   2.662   4.096  1.00  0.00           O  
HETATM   33  O   UNL     1       0.220   2.768   1.373  1.00  0.00           O  
HETATM   34  N   UNL     1       4.886   3.485  -0.321  1.00  0.00           N  
HETATM   35  C   UNL     1       5.745   4.507  -0.696  1.00  0.00           C  
HETATM   36  O   UNL     1       6.170   5.386   0.050  1.00  0.00           O  
HETATM   37  C   UNL     1       6.109   4.417  -2.168  1.00  0.00           C  
HETATM   38  C   UNL     1       7.057   5.534  -2.606  1.00  0.00           C  
HETATM   39  C   UNL     1       7.428   5.466  -4.090  1.00  0.00           C  
HETATM   40  C   UNL     1       8.356   6.599  -4.536  1.00  0.00           C  
HETATM   41  C   UNL     1       8.721   6.526  -6.023  1.00  0.00           C  
HETATM   42  C   UNL     1       9.668   7.641  -6.478  1.00  0.00           C  
HETATM   43  C   UNL     1       9.974   7.589  -7.981  1.00  0.00           C  
HETATM   44  C   UNL     1      10.935   8.692  -8.432  1.00  0.00           C  
HETATM   45  C   UNL     1      11.203   8.627  -9.938  1.00  0.00           C  
HETATM   46  C   UNL     1      12.183   9.700 -10.431  1.00  0.00           C  
HETATM   47  C   UNL     1      12.406   9.670 -11.945  1.00  0.00           C  
HETATM   48  C   UNL     1      13.419  10.729 -12.391  1.00  0.00           C  
HETATM   49  C   UNL     1      13.666  10.711 -13.905  1.00  0.00           C  
HETATM   50  C   UNL     1      14.689  11.760 -14.350  1.00  0.00           C  
HETATM   51  C   UNL     1      14.962  11.760 -15.858  1.00  0.00           C  
HETATM   52  C   UNL     1      16.009  12.796 -16.275  1.00  0.00           C  
HETATM   53  C   UNL     1      16.288  12.814 -17.782  1.00  0.00           C  
HETATM   54  C   UNL     1      17.313  13.849 -18.262  1.00  0.00           C  
HETATM   55  C   UNL     1      17.607  13.772 -19.762  1.00  0.00           C  
HETATM   56  C   UNL     1      18.645  14.814 -20.184  1.00  0.00           C  
HETATM   57  C   UNL     1      18.909  14.755 -21.689  1.00  0.00           C  
HETATM   58  C   UNL     1      19.923  15.815 -22.120  1.00  0.00           C  
HETATM   59  C   UNL     1      20.162  15.778 -23.621  1.00  0.00           C  
HETATM   60  H   UNL     1       5.779   1.280   0.409  1.00  0.00           H  
HETATM   61  H   UNL     1       6.329   2.888   1.826  1.00  0.00           H  
HETATM   62  H   UNL     1       3.921   1.828   3.401  1.00  0.00           H  
HETATM   63  H   UNL     1       5.582   1.591   3.831  1.00  0.00           H  
HETATM   64  H   UNL     1       5.831   4.117   4.081  1.00  0.00           H  
HETATM   65  H   UNL     1       4.126   4.273   3.718  1.00  0.00           H  
HETATM   66  H   UNL     1       3.611   2.858   5.761  1.00  0.00           H  
HETATM   67  H   UNL     1       5.330   2.822   6.111  1.00  0.00           H  
HETATM   68  H   UNL     1       5.370   5.317   6.280  1.00  0.00           H  
HETATM   69  H   UNL     1       3.635   5.375   5.980  1.00  0.00           H  
HETATM   70  H   UNL     1       5.018   4.015   8.332  1.00  0.00           H  
HETATM   71  H   UNL     1       3.278   3.983   8.064  1.00  0.00           H  
HETATM   72  H   UNL     1       3.232   6.505   8.237  1.00  0.00           H  
HETATM   73  H   UNL     1       4.973   6.498   8.532  1.00  0.00           H  
HETATM   74  H   UNL     1       4.596   5.075  10.574  1.00  0.00           H  
HETATM   75  H   UNL     1       2.857   5.126  10.276  1.00  0.00           H  
HETATM   76  H   UNL     1       4.643   7.563  10.799  1.00  0.00           H  
HETATM   77  H   UNL     1       2.912   7.627  10.457  1.00  0.00           H  
HETATM   78  H   UNL     1       2.498   6.180  12.500  1.00  0.00           H  
HETATM   79  H   UNL     1       4.220   6.198  12.831  1.00  0.00           H  
HETATM   80  H   UNL     1       2.434   8.665  12.787  1.00  0.00           H  
HETATM   81  H   UNL     1       4.173   8.687  13.024  1.00  0.00           H  
HETATM   82  H   UNL     1       2.119   7.376  14.851  1.00  0.00           H  
HETATM   83  H   UNL     1       3.849   7.287  15.124  1.00  0.00           H  
HETATM   84  H   UNL     1       3.924   9.812  15.300  1.00  0.00           H  
HETATM   85  H   UNL     1       2.175   9.857  15.060  1.00  0.00           H  
HETATM   86  H   UNL     1       1.880   8.438  17.109  1.00  0.00           H  
HETATM   87  H   UNL     1       3.629   8.438  17.356  1.00  0.00           H  
HETATM   88  H   UNL     1       1.874  10.954  17.290  1.00  0.00           H  
HETATM   89  H   UNL     1       3.611  10.930  17.536  1.00  0.00           H  
HETATM   90  H   UNL     1       1.575   9.647  19.405  1.00  0.00           H  
HETATM   91  H   UNL     1       3.318   9.550  19.594  1.00  0.00           H  
HETATM   92  H   UNL     1       1.631  12.086  19.697  1.00  0.00           H  
HETATM   93  H   UNL     1       3.381  12.086  19.817  1.00  0.00           H  
HETATM   94  H   UNL     1       1.499  10.646  21.766  1.00  0.00           H  
HETATM   95  H   UNL     1       3.262  10.779  21.933  1.00  0.00           H  
HETATM   96  H   UNL     1       2.253  12.224  22.042  1.00  0.00           H  
HETATM   97  H   UNL     1       4.326   4.345   1.436  1.00  0.00           H  
HETATM   98  H   UNL     1       2.520   2.676   1.978  1.00  0.00           H  
HETATM   99  H   UNL     1       2.960   1.748   0.531  1.00  0.00           H  
HETATM  100  H   UNL     1       0.920   2.059  -0.407  1.00  0.00           H  
HETATM  101  H   UNL     1      -1.056   3.333  -0.974  1.00  0.00           H  
HETATM  102  H   UNL     1       1.053   3.471  -2.221  1.00  0.00           H  
HETATM  103  H   UNL     1       0.319   5.891  -0.014  1.00  0.00           H  
HETATM  104  H   UNL     1      -1.588   6.747  -0.439  1.00  0.00           H  
HETATM  105  H   UNL     1      -2.005   4.421   1.342  1.00  0.00           H  
HETATM  106  H   UNL     1      -1.556   6.739   1.465  1.00  0.00           H  
HETATM  107  H   UNL     1       0.915   4.477   2.318  1.00  0.00           H  
HETATM  108  H   UNL     1      -1.513   2.973   3.351  1.00  0.00           H  
HETATM  109  H   UNL     1      -0.743   4.384   4.121  1.00  0.00           H  
HETATM  110  H   UNL     1      -0.102   1.868   4.393  1.00  0.00           H  
HETATM  111  H   UNL     1       4.600   2.811  -1.026  1.00  0.00           H  
HETATM  112  H   UNL     1       5.178   4.456  -2.743  1.00  0.00           H  
HETATM  113  H   UNL     1       6.577   3.441  -2.344  1.00  0.00           H  
HETATM  114  H   UNL     1       7.982   5.468  -2.020  1.00  0.00           H  
HETATM  115  H   UNL     1       6.614   6.511  -2.376  1.00  0.00           H  
HETATM  116  H   UNL     1       7.921   4.503  -4.268  1.00  0.00           H  
HETATM  117  H   UNL     1       6.514   5.470  -4.696  1.00  0.00           H  
HETATM  118  H   UNL     1       7.868   7.565  -4.365  1.00  0.00           H  
HETATM  119  H   UNL     1       9.269   6.593  -3.929  1.00  0.00           H  
HETATM  120  H   UNL     1       7.793   6.589  -6.606  1.00  0.00           H  
HETATM  121  H   UNL     1       9.158   5.544  -6.230  1.00  0.00           H  
HETATM  122  H   UNL     1      10.610   7.596  -5.920  1.00  0.00           H  
HETATM  123  H   UNL     1       9.209   8.611  -6.254  1.00  0.00           H  
HETATM  124  H   UNL     1       9.029   7.694  -8.529  1.00  0.00           H  
HETATM  125  H   UNL     1      10.383   6.605  -8.240  1.00  0.00           H  
HETATM  126  H   UNL     1      11.882   8.589  -7.894  1.00  0.00           H  
HETATM  127  H   UNL     1      10.515   9.671  -8.173  1.00  0.00           H  
HETATM  128  H   UNL     1      10.259   8.748 -10.483  1.00  0.00           H  
HETATM  129  H   UNL     1      11.593   7.635 -10.196  1.00  0.00           H  
HETATM  130  H   UNL     1      13.145   9.575  -9.918  1.00  0.00           H  
HETATM  131  H   UNL     1      11.793  10.682 -10.138  1.00  0.00           H  
HETATM  132  H   UNL     1      11.454   9.835 -12.462  1.00  0.00           H  
HETATM  133  H   UNL     1      12.767   8.678 -12.233  1.00  0.00           H  
HETATM  134  H   UNL     1      13.041  11.720 -12.112  1.00  0.00           H  
HETATM  135  H   UNL     1      14.368  10.590 -11.860  1.00  0.00           H  
HETATM  136  H   UNL     1      12.714  10.907 -14.414  1.00  0.00           H  
HETATM  137  H   UNL     1      13.987   9.708 -14.204  1.00  0.00           H  
HETATM  138  H   UNL     1      14.323  12.755 -14.068  1.00  0.00           H  
HETATM  139  H   UNL     1      15.640  11.616 -13.825  1.00  0.00           H  
HETATM  140  H   UNL     1      14.011  11.967 -16.359  1.00  0.00           H  
HETATM  141  H   UNL     1      15.280  10.761 -16.181  1.00  0.00           H  
HETATM  142  H   UNL     1      16.955  12.577 -15.765  1.00  0.00           H  
HETATM  143  H   UNL     1      15.707  13.795 -15.941  1.00  0.00           H  
HETATM  144  H   UNL     1      15.346  12.982 -18.319  1.00  0.00           H  
HETATM  145  H   UNL     1      16.637  11.816 -18.077  1.00  0.00           H  
HETATM  146  H   UNL     1      16.925  14.847 -18.022  1.00  0.00           H  
HETATM  147  H   UNL     1      18.246  13.742 -17.696  1.00  0.00           H  
HETATM  148  H   UNL     1      17.984  12.775 -20.018  1.00  0.00           H  
HETATM  149  H   UNL     1      16.680  13.926 -20.328  1.00  0.00           H  
HETATM  150  H   UNL     1      19.581  14.641 -19.640  1.00  0.00           H  
HETATM  151  H   UNL     1      18.292  15.816 -19.910  1.00  0.00           H  
HETATM  152  H   UNL     1      19.284  13.759 -21.957  1.00  0.00           H  
HETATM  153  H   UNL     1      17.969  14.902 -22.234  1.00  0.00           H  
HETATM  154  H   UNL     1      20.875  15.653 -21.601  1.00  0.00           H  
HETATM  155  H   UNL     1      19.564  16.811 -21.836  1.00  0.00           H  
HETATM  156  H   UNL     1      20.888  16.545 -23.909  1.00  0.00           H  
HETATM  157  H   UNL     1      20.556  14.805 -23.931  1.00  0.00           H  
HETATM  158  H   UNL     1      19.234  15.964 -24.171  1.00  0.00           H  
CONECT    1    2   60                                                 
CONECT    2    1    3   20   61                                       
CONECT    3    2    4   62   63                                       
CONECT    4    3    5   64   65                                       
CONECT    5    4    6   66   67                                       
CONECT    6    5    7   68   69                                       
CONECT    7    6    8   70   71                                       
CONECT    8    7    9   72   73                                       
CONECT    9    8   10   74   75                                       
CONECT   10    9   11   76   77                                       
CONECT   11   10   12   78   79                                       
CONECT   12   11   13   80   81                                       
CONECT   13   12   14   82   83                                       
CONECT   14   13   15   84   85                                       
CONECT   15   14   16   86   87                                       
CONECT   16   15   17   88   89                                       
CONECT   17   16   18   90   91                                       
CONECT   18   17   19   92   93                                       
CONECT   19   18   94   95   96                                       
CONECT   20    2   21   34   97                                       
CONECT   21   20   22   98   99                                       
CONECT   22   21   23                                                 
CONECT   23   22   24   33  100                                       
CONECT   24   23   25   26  101                                       
CONECT   25   24  102                                                 
CONECT   26   24   27   28  103                                       
CONECT   27   26  104                                                 
CONECT   28   26   29   30  105                                       
CONECT   29   28  106                                                 
CONECT   30   28   31   33  107                                       
CONECT   31   30   32  108  109                                       
CONECT   32   31  110                                                 
CONECT   33   23   30                                                 
CONECT   34   20   35  111                                            
CONECT   35   34   36   36   37                                       
CONECT   36   35   35                                                 
CONECT   37   35   38  112  113                                       
CONECT   38   37   39  114  115                                       
CONECT   39   38   40  116  117                                       
CONECT   40   39   41  118  119                                       
CONECT   41   40   42  120  121                                       
CONECT   42   41   43  122  123                                       
CONECT   43   42   44  124  125                                       
CONECT   44   43   45  126  127                                       
CONECT   45   44   46  128  129                                       
CONECT   46   45   47  130  131                                       
CONECT   47   46   48  132  133                                       
CONECT   48   47   49  134  135                                       
CONECT   49   48   50  136  137                                       
CONECT   50   49   51  138  139                                       
CONECT   51   50   52  140  141                                       
CONECT   52   51   53  142  143                                       
CONECT   53   52   54  144  145                                       
CONECT   54   53   55  146  147                                       
CONECT   55   54   56  148  149                                       
CONECT   56   55   57  150  151                                       
CONECT   57   56   58  152  153                                       
CONECT   58   57   59  154  155                                       
CONECT   59   58  156  157  158                                       
CONECT   60    1                                                      
CONECT   61    2                                                      
CONECT   62    3                                                      
CONECT   63    3                                                      
CONECT   64    4                                                      
CONECT   65    4                                                      
CONECT   66    5                                                      
CONECT   67    5                                                      
CONECT   68    6                                                      
CONECT   69    6                                                      
CONECT   70    7                                                      
CONECT   71    7                                                      
CONECT   72    8                                                      
CONECT   73    8                                                      
CONECT   74    9                                                      
CONECT   75    9                                                      
CONECT   76   10                                                      
CONECT   77   10                                                      
CONECT   78   11                                                      
CONECT   79   11                                                      
CONECT   80   12                                                      
CONECT   81   12                                                      
CONECT   82   13                                                      
CONECT   83   13                                                      
CONECT   84   14                                                      
CONECT   85   14                                                      
CONECT   86   15                                                      
CONECT   87   15                                                      
CONECT   88   16                                                      
CONECT   89   16                                                      
CONECT   90   17                                                      
CONECT   91   17                                                      
CONECT   92   18                                                      
CONECT   93   18                                                      
CONECT   94   19                                                      
CONECT   95   19                                                      
CONECT   96   19                                                      
CONECT   97   20                                                      
CONECT   98   21                                                      
CONECT   99   21                                                      
CONECT  100   23                                                      
CONECT  101   24                                                      
CONECT  102   25                                                      
CONECT  103   26                                                      
CONECT  104   27                                                      
CONECT  105   28                                                      
CONECT  106   29                                                      
CONECT  107   30                                                      
CONECT  108   31                                                      
CONECT  109   31                                                      
CONECT  110   32                                                      
CONECT  111   34                                                      
CONECT  112   37                                                      
CONECT  113   37                                                      
CONECT  114   38                                                      
CONECT  115   38                                                      
CONECT  116   39                                                      
CONECT  117   39                                                      
CONECT  118   40                                                      
CONECT  119   40                                                      
CONECT  120   41                                                      
CONECT  121   41                                                      
CONECT  122   42                                                      
CONECT  123   42                                                      
CONECT  124   43                                                      
CONECT  125   43                                                      
CONECT  126   44                                                      
CONECT  127   44                                                      
CONECT  128   45                                                      
CONECT  129   45                                                      
CONECT  130   46                                                      
CONECT  131   46                                                      
CONECT  132   47                                                      
CONECT  133   47                                                      
CONECT  134   48                                                      
CONECT  135   48                                                      
CONECT  136   49                                                      
CONECT  137   49                                                      
CONECT  138   50                                                      
CONECT  139   50                                                      
CONECT  140   51                                                      
CONECT  141   51                                                      
CONECT  142   52                                                      
CONECT  143   52                                                      
CONECT  144   53                                                      
CONECT  145   53                                                      
CONECT  146   54                                                      
CONECT  147   54                                                      
CONECT  148   55                                                      
CONECT  149   55                                                      
CONECT  150   56                                                      
CONECT  151   56                                                      
CONECT  152   57                                                      
CONECT  153   57                                                      
CONECT  154   58                                                      
CONECT  155   58                                                      
CONECT  156   59                                                      
CONECT  157   59                                                      
CONECT  158   59                                                      
MASTER        0    0    0    0    0    0    0    0  158    0  158    0
END
