COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.367  -4.449  -4.030  1.00  0.00           C  
HETATM    2  C   UNL     1       0.721  -2.384  -4.576  1.00  0.00           C  
HETATM    3  C   UNL     1       1.559  -1.257  -3.969  1.00  0.00           C  
HETATM    4  C   UNL     1      -9.172   0.023   1.480  1.00  0.00           C  
HETATM    5  C   UNL     1      -0.631  -5.412  -2.871  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.744  -5.580  -0.754  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.607  -4.787   0.229  1.00  0.00           C  
HETATM    8  C   UNL     1       3.111  -2.946   4.999  1.00  0.00           C  
HETATM    9  C   UNL     1       3.735  -4.331   4.819  1.00  0.00           C  
HETATM   10  C   UNL     1       7.551   5.914  -1.703  1.00  0.00           C  
HETATM   11  C   UNL     1       6.372   6.879  -1.563  1.00  0.00           C  
HETATM   12  O   UNL     1       2.842  -1.784  -3.541  1.00  0.00           O  
HETATM   13  O   UNL     1       3.393   0.254  -2.854  1.00  0.00           O  
HETATM   14  C   UNL     1       3.705  -0.914  -2.981  1.00  0.00           C  
HETATM   15  C   UNL     1       5.030  -1.378  -2.523  1.00  0.00           C  
HETATM   16  C   UNL     1       5.571  -0.889  -1.332  1.00  0.00           C  
HETATM   17  C   UNL     1       4.805   0.115  -0.510  1.00  0.00           C  
HETATM   18  C   UNL     1       5.554   1.420  -0.497  1.00  0.00           C  
HETATM   19  C   UNL     1       5.495   2.245  -1.607  1.00  0.00           C  
HETATM   20  C   UNL     1       6.176   3.446  -1.621  1.00  0.00           C  
HETATM   21  C   UNL     1       6.923   3.832  -0.515  1.00  0.00           C  
HETATM   22  N   UNL     1       7.614   5.046  -0.525  1.00  0.00           N  
HETATM   23  C   UNL     1       8.401   5.451   0.642  1.00  0.00           C  
HETATM   24  C   UNL     1       7.518   6.255   1.599  1.00  0.00           C  
HETATM   25  C   UNL     1       6.982   3.008   0.599  1.00  0.00           C  
HETATM   26  C   UNL     1       6.297   1.800   0.609  1.00  0.00           C  
HETATM   27  O   UNL     1       6.367   1.010   1.708  1.00  0.00           O  
HETATM   28  C   UNL     1       5.425   0.061   1.925  1.00  0.00           C  
HETATM   29  C   UNL     1       5.253  -0.440   3.209  1.00  0.00           C  
HETATM   30  C   UNL     1       4.296  -1.414   3.453  1.00  0.00           C  
HETATM   31  N   UNL     1       4.122  -1.917   4.744  1.00  0.00           N  
HETATM   32  C   UNL     1       4.952  -1.417   5.843  1.00  0.00           C  
HETATM   33  C   UNL     1       6.218  -2.270   5.956  1.00  0.00           C  
HETATM   34  C   UNL     1       3.509  -1.886   2.409  1.00  0.00           C  
HETATM   35  C   UNL     1       3.682  -1.385   1.135  1.00  0.00           C  
HETATM   36  C   UNL     1       4.637  -0.413   0.889  1.00  0.00           C  
HETATM   37  C   UNL     1       6.808  -1.328  -0.909  1.00  0.00           C  
HETATM   38  C   UNL     1       7.514  -2.250  -1.662  1.00  0.00           C  
HETATM   39  C   UNL     1       6.983  -2.739  -2.843  1.00  0.00           C  
HETATM   40  C   UNL     1       5.744  -2.313  -3.274  1.00  0.00           C  
HETATM   41  O   UNL     1       0.417  -3.348  -3.565  1.00  0.00           O  
HETATM   42  O   UNL     1      -1.437  -4.763  -1.886  1.00  0.00           O  
HETATM   43  O   UNL     1      -3.867  -4.491  -0.376  1.00  0.00           O  
HETATM   44  C   UNL     1      -4.754  -3.748   0.464  1.00  0.00           C  
HETATM   45  C   UNL     1      -6.065  -3.489  -0.282  1.00  0.00           C  
HETATM   46  N   UNL     1      -6.974  -2.728   0.578  1.00  0.00           N  
HETATM   47  C   UNL     1      -7.568  -1.554   0.262  1.00  0.00           C  
HETATM   48  C   UNL     1      -8.316  -1.208   1.336  1.00  0.00           C  
HETATM   49  N   UNL     1      -8.146  -2.175   2.244  1.00  0.00           N  
HETATM   50  N   UNL     1      -7.349  -3.063   1.763  1.00  0.00           N  
HETATM   51  O   UNL     1      -9.085   0.806   0.287  1.00  0.00           O  
HETATM   52  C   UNL     1      -9.864   2.003   0.319  1.00  0.00           C  
HETATM   53  O   UNL     1      -9.280   2.928   1.240  1.00  0.00           O  
HETATM   54  C   UNL     1      -7.932   3.286   0.930  1.00  0.00           C  
HETATM   55  C   UNL     1      -7.404   4.252   1.993  1.00  0.00           C  
HETATM   56  O   UNL     1      -7.336   3.582   3.254  1.00  0.00           O  
HETATM   57  C   UNL     1      -7.887   3.963  -0.442  1.00  0.00           C  
HETATM   58  O   UNL     1      -6.533   4.272  -0.779  1.00  0.00           O  
HETATM   59  C   UNL     1      -8.473   3.012  -1.491  1.00  0.00           C  
HETATM   60  O   UNL     1      -8.503   3.663  -2.762  1.00  0.00           O  
HETATM   61  C   UNL     1      -9.897   2.629  -1.077  1.00  0.00           C  
HETATM   62  O   UNL     1     -10.720   3.797  -1.058  1.00  0.00           O  
HETATM   63  H   UNL     1       0.172  -4.971  -4.820  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.316  -4.081  -4.419  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.206  -1.973  -4.977  1.00  0.00           H  
HETATM   66  H   UNL     1       1.283  -2.863  -5.377  1.00  0.00           H  
HETATM   67  H   UNL     1       1.716  -0.479  -4.716  1.00  0.00           H  
HETATM   68  H   UNL     1       1.035  -0.836  -3.111  1.00  0.00           H  
HETATM   69  H   UNL     1     -10.208  -0.272   1.645  1.00  0.00           H  
HETATM   70  H   UNL     1      -8.822   0.612   2.327  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.151  -6.295  -3.243  1.00  0.00           H  
HETATM   72  H   UNL     1       0.317  -5.712  -2.424  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.819  -5.883  -0.264  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.287  -6.466  -1.083  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.766  -5.378   1.131  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.101  -3.858   0.488  1.00  0.00           H  
HETATM   77  H   UNL     1       2.285  -2.825   4.299  1.00  0.00           H  
HETATM   78  H   UNL     1       2.740  -2.845   6.019  1.00  0.00           H  
HETATM   79  H   UNL     1       4.561  -4.452   5.519  1.00  0.00           H  
HETATM   80  H   UNL     1       2.982  -5.096   5.009  1.00  0.00           H  
HETATM   81  H   UNL     1       4.106  -4.432   3.799  1.00  0.00           H  
HETATM   82  H   UNL     1       7.417   5.305  -2.597  1.00  0.00           H  
HETATM   83  H   UNL     1       8.477   6.482  -1.786  1.00  0.00           H  
HETATM   84  H   UNL     1       6.505   7.489  -0.669  1.00  0.00           H  
HETATM   85  H   UNL     1       6.325   7.526  -2.440  1.00  0.00           H  
HETATM   86  H   UNL     1       5.445   6.312  -1.481  1.00  0.00           H  
HETATM   87  H   UNL     1       4.915   1.947  -2.468  1.00  0.00           H  
HETATM   88  H   UNL     1       6.127   4.085  -2.490  1.00  0.00           H  
HETATM   89  H   UNL     1       8.776   4.564   1.153  1.00  0.00           H  
HETATM   90  H   UNL     1       9.240   6.067   0.319  1.00  0.00           H  
HETATM   91  H   UNL     1       7.142   7.142   1.088  1.00  0.00           H  
HETATM   92  H   UNL     1       6.679   5.639   1.922  1.00  0.00           H  
HETATM   93  H   UNL     1       8.104   6.556   2.467  1.00  0.00           H  
HETATM   94  H   UNL     1       7.562   3.307   1.460  1.00  0.00           H  
HETATM   95  H   UNL     1       5.865  -0.072   4.018  1.00  0.00           H  
HETATM   96  H   UNL     1       5.229  -0.381   5.647  1.00  0.00           H  
HETATM   97  H   UNL     1       4.392  -1.474   6.776  1.00  0.00           H  
HETATM   98  H   UNL     1       6.835  -1.898   6.773  1.00  0.00           H  
HETATM   99  H   UNL     1       5.941  -3.306   6.151  1.00  0.00           H  
HETATM  100  H   UNL     1       6.778  -2.214   5.022  1.00  0.00           H  
HETATM  101  H   UNL     1       2.763  -2.645   2.595  1.00  0.00           H  
HETATM  102  H   UNL     1       3.070  -1.754   0.325  1.00  0.00           H  
HETATM  103  H   UNL     1       7.228  -0.951   0.012  1.00  0.00           H  
HETATM  104  H   UNL     1       8.482  -2.590  -1.327  1.00  0.00           H  
HETATM  105  H   UNL     1       7.539  -3.459  -3.426  1.00  0.00           H  
HETATM  106  H   UNL     1       5.329  -2.699  -4.194  1.00  0.00           H  
HETATM  107  H   UNL     1      -4.958  -4.317   1.370  1.00  0.00           H  
HETATM  108  H   UNL     1      -4.292  -2.797   0.728  1.00  0.00           H  
HETATM  109  H   UNL     1      -5.860  -2.920  -1.189  1.00  0.00           H  
HETATM  110  H   UNL     1      -6.526  -4.440  -0.547  1.00  0.00           H  
HETATM  111  H   UNL     1      -7.465  -1.003  -0.661  1.00  0.00           H  
HETATM  112  H   UNL     1     -10.880   1.768   0.636  1.00  0.00           H  
HETATM  113  H   UNL     1      -7.312   2.389   0.914  1.00  0.00           H  
HETATM  114  H   UNL     1      -6.409   4.595   1.710  1.00  0.00           H  
HETATM  115  H   UNL     1      -8.074   5.108   2.072  1.00  0.00           H  
HETATM  116  H   UNL     1      -7.009   4.136   3.976  1.00  0.00           H  
HETATM  117  H   UNL     1      -8.474   4.881  -0.415  1.00  0.00           H  
HETATM  118  H   UNL     1      -6.430   4.703  -1.638  1.00  0.00           H  
HETATM  119  H   UNL     1      -7.858   2.115  -1.555  1.00  0.00           H  
HETATM  120  H   UNL     1      -8.869   3.120  -3.474  1.00  0.00           H  
HETATM  121  H   UNL     1     -10.302   1.909  -1.789  1.00  0.00           H  
HETATM  122  H   UNL     1     -11.636   3.629  -0.800  1.00  0.00           H  
HETATM  123  H   UNL     1       3.822   0.269  -0.956  1.00  0.00           H  
CONECT    1    5   41   63   64                                       
CONECT    2   41    3   65   66                                       
CONECT    3    2   12   67   68                                       
CONECT    4   48   51   69   70                                       
CONECT    5   42    1   71   72                                       
CONECT    6    7   42   73   74                                       
CONECT    7    6   43   75   76                                       
CONECT    8    9   31   77   78                                       
CONECT    9    8   79   80   81                                       
CONECT   10   22   11   82   83                                       
CONECT   11   10   84   85   86                                       
CONECT   12    3   14                                                 
CONECT   13   14   14                                                 
CONECT   14   12   15   13   13                                       
CONECT   15   16   14   40   40                                       
CONECT   16   17   37   37   15                                       
CONECT   17   18   36   16  123                                       
CONECT   18   26   26   19   17                                       
CONECT   19   20   20   18   87                                       
CONECT   20   21   19   19   88                                       
CONECT   21   22   25   25   20                                       
CONECT   22   23   10   21                                            
CONECT   23   24   22   89   90                                       
CONECT   24   23   91   92   93                                       
CONECT   25   21   21   26   94                                       
CONECT   26   25   27   18   18                                       
CONECT   27   26   28                                                 
CONECT   28   27   29   36   36                                       
CONECT   29   28   30   30   95                                       
CONECT   30   29   29   31   34                                       
CONECT   31    8   30   32                                            
CONECT   32   31   33   96   97                                       
CONECT   33   32   98   99  100                                       
CONECT   34   30   35   35  101                                       
CONECT   35   36   34   34  102                                       
CONECT   36   28   28   17   35                                       
CONECT   37   16   16   38  103                                       
CONECT   38   37   39   39  104                                       
CONECT   39   38   38   40  105                                       
CONECT   40   15   15   39  106                                       
CONECT   41    1    2                                                 
CONECT   42    6    5                                                 
CONECT   43   44    7                                                 
CONECT   44   43   45  107  108                                       
CONECT   45   44   46  109  110                                       
CONECT   46   45   50   47                                            
CONECT   47   46   48   48  111                                       
CONECT   48   47   47   49    4                                       
CONECT   49   50   50   48                                            
CONECT   50   46   49   49                                            
CONECT   51    4   52                                                 
CONECT   52   51   61   53  112                                       
CONECT   53   52   54                                                 
CONECT   54   57   53   55  113                                       
CONECT   55   54   56  114  115                                       
CONECT   56   55  116                                                 
CONECT   57   59   58   54  117                                       
CONECT   58   57  118                                                 
CONECT   59   61   60   57  119                                       
CONECT   60   59  120                                                 
CONECT   61   59   52   62  121                                       
CONECT   62   61  122                                                 
CONECT   63    1                                                      
CONECT   64    1                                                      
CONECT   65    2                                                      
CONECT   66    2                                                      
CONECT   67    3                                                      
CONECT   68    3                                                      
CONECT   69    4                                                      
CONECT   70    4                                                      
CONECT   71    5                                                      
CONECT   72    5                                                      
CONECT   73    6                                                      
CONECT   74    6                                                      
CONECT   75    7                                                      
CONECT   76    7                                                      
CONECT   77    8                                                      
CONECT   78    8                                                      
CONECT   79    9                                                      
CONECT   80    9                                                      
CONECT   81    9                                                      
CONECT   82   10                                                      
CONECT   83   10                                                      
CONECT   84   11                                                      
CONECT   85   11                                                      
CONECT   86   11                                                      
CONECT   87   19                                                      
CONECT   88   20                                                      
CONECT   89   23                                                      
CONECT   90   23                                                      
CONECT   91   24                                                      
CONECT   92   24                                                      
CONECT   93   24                                                      
CONECT   94   25                                                      
CONECT   95   29                                                      
CONECT   96   32                                                      
CONECT   97   32                                                      
CONECT   98   33                                                      
CONECT   99   33                                                      
CONECT  100   33                                                      
CONECT  101   34                                                      
CONECT  102   35                                                      
CONECT  103   37                                                      
CONECT  104   38                                                      
CONECT  105   39                                                      
CONECT  106   40                                                      
CONECT  107   44                                                      
CONECT  108   44                                                      
CONECT  109   45                                                      
CONECT  110   45                                                      
CONECT  111   47                                                      
CONECT  112   52                                                      
CONECT  113   54                                                      
CONECT  114   55                                                      
CONECT  115   55                                                      
CONECT  116   56                                                      
CONECT  117   57                                                      
CONECT  118   58                                                      
CONECT  119   59                                                      
CONECT  120   60                                                      
CONECT  121   61                                                      
CONECT  122   62                                                      
CONECT  123   17                                                      
MASTER        0    0    0    0    0    0    0    0  123    0  123    0
END
