COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -3.362   2.755  -2.885  1.00  0.00           O  
HETATM    2  C   UNL     1      -2.981   3.474  -1.992  1.00  0.00           C  
HETATM    3  O   UNL     1      -2.230   4.551  -2.273  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.916   4.790  -3.670  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.353   3.166  -0.564  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.198   1.921  -0.502  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.442   2.258   0.040  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.501   3.632   0.348  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.225   4.267   0.001  1.00  0.00           C  
HETATM   10  O   UNL     1      -3.929   5.436   0.138  1.00  0.00           O  
HETATM   11  C   UNL     1      -6.772   3.885   0.876  1.00  0.00           C  
HETATM   12  C   UNL     1      -7.290   5.220   1.348  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.472   2.681   0.887  1.00  0.00           C  
HETATM   14  N   UNL     1      -6.653   1.694   0.380  1.00  0.00           N  
HETATM   15  C   UNL     1      -8.785   2.491   1.331  1.00  0.00           C  
HETATM   16  C   UNL     1      -9.365   1.237   1.291  1.00  0.00           C  
HETATM   17  C   UNL     1     -10.781   0.950   1.748  1.00  0.00           C  
HETATM   18  C   UNL     1     -10.945   1.266   3.236  1.00  0.00           C  
HETATM   19  C   UNL     1     -12.406   1.069   3.641  1.00  0.00           C  
HETATM   20  C   UNL     1     -10.931  -0.560   1.493  1.00  0.00           C  
HETATM   21  C   UNL     1     -12.035  -0.830   0.468  1.00  0.00           C  
HETATM   22  C   UNL     1      -9.568  -0.953   0.932  1.00  0.00           C  
HETATM   23  N   UNL     1      -8.810   0.117   0.869  1.00  0.00           N  
HETATM   24  C   UNL     1      -9.274  -2.253   0.585  1.00  0.00           C  
HETATM   25  C   UNL     1      -8.084  -2.734   0.060  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.899  -4.116  -0.246  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.879  -5.187  -0.051  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.774  -5.606  -1.190  1.00  0.00           C  
HETATM   29  O   UNL     1      -8.971  -5.737   1.026  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.616  -4.256  -0.762  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.980  -5.541  -1.228  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.022  -2.990  -0.772  1.00  0.00           C  
HETATM   33  N   UNL     1      -6.924  -2.083  -0.264  1.00  0.00           N  
HETATM   34  C   UNL     1      -4.722  -2.772  -1.244  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.110  -1.540  -1.243  1.00  0.00           C  
HETATM   36  C   UNL     1      -2.704  -1.279  -1.753  1.00  0.00           C  
HETATM   37  C   UNL     1      -2.602  -1.596  -3.246  1.00  0.00           C  
HETATM   38  C   UNL     1      -2.518   0.232  -1.502  1.00  0.00           C  
HETATM   39  C   UNL     1      -3.842   0.645  -0.902  1.00  0.00           C  
HETATM   40  N   UNL     1      -4.629  -0.409  -0.811  1.00  0.00           N  
HETATM   41  C   UNL     1      -1.376   0.480  -0.514  1.00  0.00           C  
HETATM   42  C   UNL     1      -0.056   0.018  -1.133  1.00  0.00           C  
HETATM   43  C   UNL     1       1.053   0.172  -0.125  1.00  0.00           C  
HETATM   44  O   UNL     1       0.813   0.608   0.976  1.00  0.00           O  
HETATM   45  O   UNL     1       2.309  -0.174  -0.450  1.00  0.00           O  
HETATM   46  C   UNL     1       3.326   0.002   0.571  1.00  0.00           C  
HETATM   47  C   UNL     1       4.663  -0.436   0.029  1.00  0.00           C  
HETATM   48  C   UNL     1       5.438  -1.211   0.746  1.00  0.00           C  
HETATM   49  C   UNL     1       5.055  -1.559   2.161  1.00  0.00           C  
HETATM   50  C   UNL     1       6.715  -1.753   0.156  1.00  0.00           C  
HETATM   51  C   UNL     1       7.882  -0.842   0.541  1.00  0.00           C  
HETATM   52  C   UNL     1       9.178  -1.393  -0.058  1.00  0.00           C  
HETATM   53  C   UNL     1      10.345  -0.482   0.327  1.00  0.00           C  
HETATM   54  C   UNL     1      10.154   0.892  -0.317  1.00  0.00           C  
HETATM   55  C   UNL     1      11.656  -1.098  -0.165  1.00  0.00           C  
HETATM   56  C   UNL     1      12.833  -0.253   0.327  1.00  0.00           C  
HETATM   57  C   UNL     1      14.144  -0.869  -0.165  1.00  0.00           C  
HETATM   58  C   UNL     1      15.321  -0.024   0.327  1.00  0.00           C  
HETATM   59  C   UNL     1      15.258   1.362  -0.317  1.00  0.00           C  
HETATM   60  C   UNL     1      16.635  -0.706  -0.058  1.00  0.00           C  
HETATM   61  C   UNL     1      17.809   0.072   0.540  1.00  0.00           C  
HETATM   62  C   UNL     1      19.123  -0.610   0.155  1.00  0.00           C  
HETATM   63  C   UNL     1      20.296   0.169   0.754  1.00  0.00           C  
HETATM   64  C   UNL     1      20.233   0.092   2.280  1.00  0.00           C  
HETATM   65  C   UNL     1      21.613  -0.440   0.267  1.00  0.00           C  
HETATM   66  H   UNL     1      -1.306   5.689  -3.757  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.366   3.938  -4.069  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.840   4.922  -4.233  1.00  0.00           H  
HETATM   69  H   UNL     1      -2.455   3.045   0.042  1.00  0.00           H  
HETATM   70  H   UNL     1      -7.768   5.738   0.517  1.00  0.00           H  
HETATM   71  H   UNL     1      -8.016   5.066   2.147  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.460   5.820   1.721  1.00  0.00           H  
HETATM   73  H   UNL     1      -6.889   0.758   0.280  1.00  0.00           H  
HETATM   74  H   UNL     1      -9.355   3.329   1.710  1.00  0.00           H  
HETATM   75  H   UNL     1     -11.500   1.514   1.153  1.00  0.00           H  
HETATM   76  H   UNL     1     -10.312   0.599   3.821  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.652   2.300   3.421  1.00  0.00           H  
HETATM   78  H   UNL     1     -13.047   1.668   2.994  1.00  0.00           H  
HETATM   79  H   UNL     1     -12.672   0.017   3.543  1.00  0.00           H  
HETATM   80  H   UNL     1     -12.542   1.383   4.677  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.132  -1.090   2.424  1.00  0.00           H  
HETATM   82  H   UNL     1     -11.786  -0.337  -0.472  1.00  0.00           H  
HETATM   83  H   UNL     1     -12.123  -1.904   0.303  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.981  -0.441   0.844  1.00  0.00           H  
HETATM   85  H   UNL     1     -10.076  -2.990   0.743  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.254  -6.337  -1.810  1.00  0.00           H  
HETATM   87  H   UNL     1     -10.685  -6.051  -0.791  1.00  0.00           H  
HETATM   88  H   UNL     1     -10.028  -4.734  -1.792  1.00  0.00           H  
HETATM   89  H   UNL     1      -6.190  -5.687  -2.287  1.00  0.00           H  
HETATM   90  H   UNL     1      -4.902  -5.489  -1.075  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.388  -6.376  -0.658  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.763  -1.133  -0.154  1.00  0.00           H  
HETATM   93  H   UNL     1      -4.168  -3.626  -1.633  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.974  -1.857  -1.186  1.00  0.00           H  
HETATM   95  H   UNL     1      -3.317  -0.986  -3.797  1.00  0.00           H  
HETATM   96  H   UNL     1      -1.593  -1.378  -3.596  1.00  0.00           H  
HETATM   97  H   UNL     1      -2.822  -2.651  -3.409  1.00  0.00           H  
HETATM   98  H   UNL     1      -2.337   0.760  -2.439  1.00  0.00           H  
HETATM   99  H   UNL     1      -1.317   1.545  -0.286  1.00  0.00           H  
HETATM  100  H   UNL     1      -1.562  -0.078   0.404  1.00  0.00           H  
HETATM  101  H   UNL     1      -0.139  -1.029  -1.425  1.00  0.00           H  
HETATM  102  H   UNL     1       0.165   0.623  -2.012  1.00  0.00           H  
HETATM  103  H   UNL     1       3.377   1.053   0.856  1.00  0.00           H  
HETATM  104  H   UNL     1       3.073  -0.600   1.444  1.00  0.00           H  
HETATM  105  H   UNL     1       4.981  -0.112  -0.951  1.00  0.00           H  
HETATM  106  H   UNL     1       4.380  -2.415   2.154  1.00  0.00           H  
HETATM  107  H   UNL     1       5.951  -1.807   2.730  1.00  0.00           H  
HETATM  108  H   UNL     1       4.556  -0.707   2.622  1.00  0.00           H  
HETATM  109  H   UNL     1       6.895  -2.757   0.541  1.00  0.00           H  
HETATM  110  H   UNL     1       6.626  -1.791  -0.930  1.00  0.00           H  
HETATM  111  H   UNL     1       7.702   0.162   0.156  1.00  0.00           H  
HETATM  112  H   UNL     1       7.971  -0.805   1.627  1.00  0.00           H  
HETATM  113  H   UNL     1       9.358  -2.397   0.327  1.00  0.00           H  
HETATM  114  H   UNL     1       9.089  -1.431  -1.143  1.00  0.00           H  
HETATM  115  H   UNL     1      10.379  -0.374   1.411  1.00  0.00           H  
HETATM  116  H   UNL     1      10.120   0.784  -1.401  1.00  0.00           H  
HETATM  117  H   UNL     1       9.220   1.331   0.034  1.00  0.00           H  
HETATM  118  H   UNL     1      10.986   1.541  -0.042  1.00  0.00           H  
HETATM  119  H   UNL     1      11.750  -2.112   0.224  1.00  0.00           H  
HETATM  120  H   UNL     1      11.659  -1.125  -1.255  1.00  0.00           H  
HETATM  121  H   UNL     1      12.740   0.761  -0.061  1.00  0.00           H  
HETATM  122  H   UNL     1      12.831  -0.226   1.417  1.00  0.00           H  
HETATM  123  H   UNL     1      14.238  -1.883   0.223  1.00  0.00           H  
HETATM  124  H   UNL     1      14.147  -0.896  -1.255  1.00  0.00           H  
HETATM  125  H   UNL     1      15.268   0.077   1.411  1.00  0.00           H  
HETATM  126  H   UNL     1      15.311   1.262  -1.401  1.00  0.00           H  
HETATM  127  H   UNL     1      14.322   1.849  -0.043  1.00  0.00           H  
HETATM  128  H   UNL     1      16.096   1.965   0.033  1.00  0.00           H  
HETATM  129  H   UNL     1      16.642  -1.726   0.326  1.00  0.00           H  
HETATM  130  H   UNL     1      16.729  -0.727  -1.144  1.00  0.00           H  
HETATM  131  H   UNL     1      17.802   1.092   0.156  1.00  0.00           H  
HETATM  132  H   UNL     1      17.715   0.093   1.626  1.00  0.00           H  
HETATM  133  H   UNL     1      19.129  -1.630   0.540  1.00  0.00           H  
HETATM  134  H   UNL     1      19.217  -0.630  -0.931  1.00  0.00           H  
HETATM  135  H   UNL     1      20.239   1.211   0.439  1.00  0.00           H  
HETATM  136  H   UNL     1      19.295   0.525   2.627  1.00  0.00           H  
HETATM  137  H   UNL     1      20.290  -0.950   2.595  1.00  0.00           H  
HETATM  138  H   UNL     1      21.069   0.646   2.707  1.00  0.00           H  
HETATM  139  H   UNL     1      21.658  -0.385  -0.821  1.00  0.00           H  
HETATM  140  H   UNL     1      22.449   0.115   0.693  1.00  0.00           H  
HETATM  141  H   UNL     1      21.670  -1.482   0.581  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    5                                       
CONECT    3    2    4                                                 
CONECT    4    3   66   67   68                                       
CONECT    5    2    6    9   69                                       
CONECT    6    5    7    7   39                                       
CONECT    7    6    6    8   14                                       
CONECT    8    7    9   11   11                                       
CONECT    9    5    8   10   10                                       
CONECT   10    9    9                                                 
CONECT   11    8    8   12   13                                       
CONECT   12   11   70   71   72                                       
CONECT   13   11   14   15   15                                       
CONECT   14    7   13   73                                            
CONECT   15   13   13   16   74                                       
CONECT   16   15   17   23   23                                       
CONECT   17   16   18   20   75                                       
CONECT   18   17   19   76   77                                       
CONECT   19   18   78   79   80                                       
CONECT   20   17   21   22   81                                       
CONECT   21   20   82   83   84                                       
CONECT   22   20   23   24   24                                       
CONECT   23   16   16   22                                            
CONECT   24   22   22   25   85                                       
CONECT   25   24   26   26   33                                       
CONECT   26   25   25   27   30                                       
CONECT   27   26   28   29   29                                       
CONECT   28   27   86   87   88                                       
CONECT   29   27   27                                                 
CONECT   30   26   31   32   32                                       
CONECT   31   30   89   90   91                                       
CONECT   32   30   30   33   34                                       
CONECT   33   25   32   92                                            
CONECT   34   32   35   35   93                                       
CONECT   35   34   34   36   40                                       
CONECT   36   35   37   38   94                                       
CONECT   37   36   95   96   97                                       
CONECT   38   36   39   41   98                                       
CONECT   39    6   38   40   40                                       
CONECT   40   35   39   39                                            
CONECT   41   38   42   99  100                                       
CONECT   42   41   43  101  102                                       
CONECT   43   42   44   44   45                                       
CONECT   44   43   43                                                 
CONECT   45   43   46                                                 
CONECT   46   45   47  103  104                                       
CONECT   47   46   48   48  105                                       
CONECT   48   47   47   49   50                                       
CONECT   49   48  106  107  108                                       
CONECT   50   48   51  109  110                                       
CONECT   51   50   52  111  112                                       
CONECT   52   51   53  113  114                                       
CONECT   53   52   54   55  115                                       
CONECT   54   53  116  117  118                                       
CONECT   55   53   56  119  120                                       
CONECT   56   55   57  121  122                                       
CONECT   57   56   58  123  124                                       
CONECT   58   57   59   60  125                                       
CONECT   59   58  126  127  128                                       
CONECT   60   58   61  129  130                                       
CONECT   61   60   62  131  132                                       
CONECT   62   61   63  133  134                                       
CONECT   63   62   64   65  135                                       
CONECT   64   63  136  137  138                                       
CONECT   65   63  139  140  141                                       
CONECT   66    4                                                      
CONECT   67    4                                                      
CONECT   68    4                                                      
CONECT   69    5                                                      
CONECT   70   12                                                      
CONECT   71   12                                                      
CONECT   72   12                                                      
CONECT   73   14                                                      
CONECT   74   15                                                      
CONECT   75   17                                                      
CONECT   76   18                                                      
CONECT   77   18                                                      
CONECT   78   19                                                      
CONECT   79   19                                                      
CONECT   80   19                                                      
CONECT   81   20                                                      
CONECT   82   21                                                      
CONECT   83   21                                                      
CONECT   84   21                                                      
CONECT   85   24                                                      
CONECT   86   28                                                      
CONECT   87   28                                                      
CONECT   88   28                                                      
CONECT   89   31                                                      
CONECT   90   31                                                      
CONECT   91   31                                                      
CONECT   92   33                                                      
CONECT   93   34                                                      
CONECT   94   36                                                      
CONECT   95   37                                                      
CONECT   96   37                                                      
CONECT   97   37                                                      
CONECT   98   38                                                      
CONECT   99   41                                                      
CONECT  100   41                                                      
CONECT  101   42                                                      
CONECT  102   42                                                      
CONECT  103   46                                                      
CONECT  104   46                                                      
CONECT  105   47                                                      
CONECT  106   49                                                      
CONECT  107   49                                                      
CONECT  108   49                                                      
CONECT  109   50                                                      
CONECT  110   50                                                      
CONECT  111   51                                                      
CONECT  112   51                                                      
CONECT  113   52                                                      
CONECT  114   52                                                      
CONECT  115   53                                                      
CONECT  116   54                                                      
CONECT  117   54                                                      
CONECT  118   54                                                      
CONECT  119   55                                                      
CONECT  120   55                                                      
CONECT  121   56                                                      
CONECT  122   56                                                      
CONECT  123   57                                                      
CONECT  124   57                                                      
CONECT  125   58                                                      
CONECT  126   59                                                      
CONECT  127   59                                                      
CONECT  128   59                                                      
CONECT  129   60                                                      
CONECT  130   60                                                      
CONECT  131   61                                                      
CONECT  132   61                                                      
CONECT  133   62                                                      
CONECT  134   62                                                      
CONECT  135   63                                                      
CONECT  136   64                                                      
CONECT  137   64                                                      
CONECT  138   64                                                      
CONECT  139   65                                                      
CONECT  140   65                                                      
CONECT  141   65                                                      
MASTER        0    0    0    0    0    0    0    0  141    0  141    0
END
