COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.386  -1.326   0.869  1.00  0.00           O  
HETATM    2  C   UNL     1       4.387  -0.226   0.352  1.00  0.00           C  
HETATM    3  N   UNL     1       5.549   0.333  -0.042  1.00  0.00           N  
HETATM    4  C   UNL     1       6.750  -0.352   0.143  1.00  0.00           C  
HETATM    5  N   UNL     1       7.991   0.091  -0.199  1.00  0.00           N  
HETATM    6  C   UNL     1       8.292   1.319  -0.802  1.00  0.00           C  
HETATM    7  C   UNL     1       7.413   1.877  -1.722  1.00  0.00           C  
HETATM    8  C   UNL     1       7.713   3.087  -2.315  1.00  0.00           C  
HETATM    9  C   UNL     1       8.886   3.745  -1.994  1.00  0.00           C  
HETATM   10  C   UNL     1       9.210   5.066  -2.643  1.00  0.00           C  
HETATM   11  C   UNL     1       9.763   3.193  -1.078  1.00  0.00           C  
HETATM   12  C   UNL     1       9.466   1.985  -0.477  1.00  0.00           C  
HETATM   13  N   UNL     1       8.913  -0.901   0.160  1.00  0.00           N  
HETATM   14  C   UNL     1       8.259  -1.899   0.696  1.00  0.00           C  
HETATM   15  C   UNL     1       8.870  -3.173   1.220  1.00  0.00           C  
HETATM   16  C   UNL     1       8.253  -3.514   2.577  1.00  0.00           C  
HETATM   17  C   UNL     1       8.599  -4.312   0.235  1.00  0.00           C  
HETATM   18  C   UNL     1      10.380  -2.985   1.379  1.00  0.00           C  
HETATM   19  C   UNL     1       6.897  -1.583   0.706  1.00  0.00           C  
HETATM   20  N   UNL     1       3.226   0.433   0.167  1.00  0.00           N  
HETATM   21  C   UNL     1       1.963  -0.176   0.590  1.00  0.00           C  
HETATM   22  C   UNL     1       0.807   0.772   0.269  1.00  0.00           C  
HETATM   23  N   UNL     1      -0.460   0.161   0.693  1.00  0.00           N  
HETATM   24  C   UNL     1      -1.562   1.130   0.621  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.822   0.513   1.238  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.755  -1.041  -0.098  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.982  -1.747   0.490  1.00  0.00           C  
HETATM   28  N   UNL     1      -3.082  -0.776   0.578  1.00  0.00           N  
HETATM   29  C   UNL     1      -4.297  -1.058   0.068  1.00  0.00           C  
HETATM   30  O   UNL     1      -4.470  -2.087  -0.556  1.00  0.00           O  
HETATM   31  N   UNL     1      -5.321  -0.201   0.251  1.00  0.00           N  
HETATM   32  C   UNL     1      -6.602  -0.541  -0.183  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.961  -1.699  -0.802  1.00  0.00           C  
HETATM   34  C   UNL     1      -8.332  -1.637  -1.066  1.00  0.00           C  
HETATM   35  C   UNL     1      -9.149  -2.708  -1.742  1.00  0.00           C  
HETATM   36  C   UNL     1     -10.495  -2.126  -2.178  1.00  0.00           C  
HETATM   37  C   UNL     1      -8.395  -3.225  -2.970  1.00  0.00           C  
HETATM   38  C   UNL     1      -9.384  -3.862  -0.766  1.00  0.00           C  
HETATM   39  N   UNL     1      -8.788  -0.491  -0.627  1.00  0.00           N  
HETATM   40  N   UNL     1      -7.723   0.220  -0.060  1.00  0.00           N  
HETATM   41  C   UNL     1      -7.797   1.493   0.522  1.00  0.00           C  
HETATM   42  C   UNL     1      -8.663   2.446   0.003  1.00  0.00           C  
HETATM   43  C   UNL     1      -7.008   1.802   1.622  1.00  0.00           C  
HETATM   44  C   UNL     1      -7.083   3.057   2.193  1.00  0.00           C  
HETATM   45  C   UNL     1      -7.943   4.006   1.671  1.00  0.00           C  
HETATM   46  C   UNL     1      -8.022   5.375   2.296  1.00  0.00           C  
HETATM   47  C   UNL     1      -8.734   3.700   0.579  1.00  0.00           C  
HETATM   48  H   UNL     1       5.550   1.210  -0.455  1.00  0.00           H  
HETATM   49  H   UNL     1       6.497   1.363  -1.974  1.00  0.00           H  
HETATM   50  H   UNL     1       7.030   3.521  -3.031  1.00  0.00           H  
HETATM   51  H   UNL     1       8.804   5.877  -2.038  1.00  0.00           H  
HETATM   52  H   UNL     1      10.291   5.177  -2.720  1.00  0.00           H  
HETATM   53  H   UNL     1       8.769   5.099  -3.639  1.00  0.00           H  
HETATM   54  H   UNL     1      10.678   3.708  -0.829  1.00  0.00           H  
HETATM   55  H   UNL     1      10.149   1.556   0.241  1.00  0.00           H  
HETATM   56  H   UNL     1       7.177  -3.648   2.464  1.00  0.00           H  
HETATM   57  H   UNL     1       8.695  -4.436   2.956  1.00  0.00           H  
HETATM   58  H   UNL     1       8.446  -2.703   3.279  1.00  0.00           H  
HETATM   59  H   UNL     1       9.039  -4.069  -0.732  1.00  0.00           H  
HETATM   60  H   UNL     1       9.042  -5.233   0.614  1.00  0.00           H  
HETATM   61  H   UNL     1       7.523  -4.446   0.121  1.00  0.00           H  
HETATM   62  H   UNL     1      10.574  -2.174   2.081  1.00  0.00           H  
HETATM   63  H   UNL     1      10.823  -3.906   1.758  1.00  0.00           H  
HETATM   64  H   UNL     1      10.821  -2.742   0.412  1.00  0.00           H  
HETATM   65  H   UNL     1       6.102  -2.206   1.089  1.00  0.00           H  
HETATM   66  H   UNL     1       3.227   1.311  -0.245  1.00  0.00           H  
HETATM   67  H   UNL     1       1.819  -1.118   0.060  1.00  0.00           H  
HETATM   68  H   UNL     1       1.992  -0.365   1.663  1.00  0.00           H  
HETATM   69  H   UNL     1       0.951   1.714   0.799  1.00  0.00           H  
HETATM   70  H   UNL     1       0.778   0.961  -0.804  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.291   2.031   1.171  1.00  0.00           H  
HETATM   72  H   UNL     1      -1.755   1.385  -0.421  1.00  0.00           H  
HETATM   73  H   UNL     1      -2.666   0.353   2.305  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.669   1.182   1.088  1.00  0.00           H  
HETATM   75  H   UNL     1      -0.960  -0.756  -1.130  1.00  0.00           H  
HETATM   76  H   UNL     1       0.101  -1.714  -0.070  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.274  -2.573  -0.158  1.00  0.00           H  
HETATM   78  H   UNL     1      -1.744  -2.127   1.483  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.167   0.653   0.684  1.00  0.00           H  
HETATM   80  H   UNL     1      -6.304  -2.521  -1.045  1.00  0.00           H  
HETATM   81  H   UNL     1     -11.031  -1.758  -1.303  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.326  -1.304  -2.873  1.00  0.00           H  
HETATM   83  H   UNL     1     -11.085  -2.901  -2.667  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.986  -4.000  -3.459  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.227  -2.403  -3.665  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.437  -3.640  -2.659  1.00  0.00           H  
HETATM   87  H   UNL     1      -9.921  -3.494   0.109  1.00  0.00           H  
HETATM   88  H   UNL     1      -9.975  -4.637  -1.255  1.00  0.00           H  
HETATM   89  H   UNL     1      -8.426  -4.278  -0.455  1.00  0.00           H  
HETATM   90  H   UNL     1      -9.281   2.207  -0.850  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.337   1.061   2.031  1.00  0.00           H  
HETATM   92  H   UNL     1      -6.470   3.298   3.049  1.00  0.00           H  
HETATM   93  H   UNL     1      -7.296   6.034   1.821  1.00  0.00           H  
HETATM   94  H   UNL     1      -9.025   5.779   2.159  1.00  0.00           H  
HETATM   95  H   UNL     1      -7.802   5.301   3.361  1.00  0.00           H  
HETATM   96  H   UNL     1      -9.407   4.441   0.175  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2   20    1    1    3                                       
CONECT    3    2    4   48                                            
CONECT    4    3   19   19    5                                       
CONECT    5    4    6   13                                            
CONECT    6    7    5   12   12                                       
CONECT    7    8    8    6   49                                       
CONECT    8    7    7    9   50                                       
CONECT    9    8   10   11   11                                       
CONECT   10    9   51   52   53                                       
CONECT   11    9    9   12   54                                       
CONECT   12    6    6   11   55                                       
CONECT   13    5   14   14                                            
CONECT   14   19   13   13   15                                       
CONECT   15   16   14   17   18                                       
CONECT   16   15   56   57   58                                       
CONECT   17   15   59   60   61                                       
CONECT   18   15   62   63   64                                       
CONECT   19    4    4   14   65                                       
CONECT   20   21    2   66                                            
CONECT   21   22   20   67   68                                       
CONECT   22   23   21   69   70                                       
CONECT   23   24   26   22                                            
CONECT   24   25   23   71   72                                       
CONECT   25   28   24   73   74                                       
CONECT   26   27   23   75   76                                       
CONECT   27   28   26   77   78                                       
CONECT   28   29   25   27                                            
CONECT   29   30   30   31   28                                       
CONECT   30   29   29                                                 
CONECT   31   32   29   79                                            
CONECT   32   40   33   33   31                                       
CONECT   33   34   32   32   80                                       
CONECT   34   35   39   39   33                                       
CONECT   35   37   36   38   34                                       
CONECT   36   35   81   82   83                                       
CONECT   37   35   84   85   86                                       
CONECT   38   35   87   88   89                                       
CONECT   39   34   34   40                                            
CONECT   40   39   41   32                                            
CONECT   41   43   40   42   42                                       
CONECT   42   41   41   47   90                                       
CONECT   43   44   44   41   91                                       
CONECT   44   43   43   45   92                                       
CONECT   45   44   46   47   47                                       
CONECT   46   45   93   94   95                                       
CONECT   47   45   45   42   96                                       
CONECT   48    3                                                      
CONECT   49    7                                                      
CONECT   50    8                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   16                                                      
CONECT   57   16                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   17                                                      
CONECT   61   17                                                      
CONECT   62   18                                                      
CONECT   63   18                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   20                                                      
CONECT   67   21                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   22                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   31                                                      
CONECT   80   33                                                      
CONECT   81   36                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
CONECT   89   38                                                      
CONECT   90   42                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   46                                                      
CONECT   94   46                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
