COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1     -12.621  -0.677  -0.213  1.00  0.00           N  
HETATM    2  C   UNL     1     -12.943   0.488   0.308  1.00  0.00           C  
HETATM    3  N   UNL     1     -12.005   1.418   0.637  1.00  0.00           N  
HETATM    4  C   UNL     1     -10.693   1.158   0.436  1.00  0.00           C  
HETATM    5  N   UNL     1      -9.037  -0.450  -0.342  1.00  0.00           N1+
HETATM    6  C   UNL     1      -8.716  -1.512  -1.323  1.00  0.00           C  
HETATM    7  C   UNL     1      -9.625  -2.700  -0.991  1.00  0.00           C  
HETATM    8  N   UNL     1     -11.017  -2.219  -1.011  1.00  0.00           N  
HETATM    9  C   UNL     1      -7.241  -1.829  -1.051  1.00  0.00           C  
HETATM   10  P   UNL     1       8.446  -0.290  -0.888  1.00  0.00           P  
HETATM   11  C   UNL     1      -7.969  -0.077   0.262  1.00  0.00           C  
HETATM   12  N   UNL     1      -6.848  -0.787  -0.084  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.994  -0.115   1.345  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.247  -1.201   0.527  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.524  -1.427   0.052  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.555  -0.562   0.396  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.298   0.528   1.217  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.019   0.748   1.690  1.00  0.00           C  
HETATM   19  O   UNL     1       7.804  -1.763  -0.779  1.00  0.00           O  
HETATM   20  C   UNL     1       4.637   3.903   0.668  1.00  0.00           C  
HETATM   21  O   UNL     1       9.251  -0.157  -2.276  1.00  0.00           O  
HETATM   22  C   UNL     1       5.165   5.072  -0.187  1.00  0.00           C  
HETATM   23  O   UNL     1       4.199   5.448  -1.171  1.00  0.00           O  
HETATM   24  O   UNL     1       9.374  -0.071   0.244  1.00  0.00           O  
HETATM   25  C   UNL     1       6.435   4.503  -0.864  1.00  0.00           C  
HETATM   26  O   UNL     1       6.518   4.922  -2.228  1.00  0.00           O  
HETATM   27  C   UNL     1     -10.341  -0.082  -0.115  1.00  0.00           C  
HETATM   28  C   UNL     1       6.196   2.974  -0.770  1.00  0.00           C  
HETATM   29  O   UNL     1       5.559   2.812   0.516  1.00  0.00           O  
HETATM   30  C   UNL     1       7.525   2.217  -0.812  1.00  0.00           C  
HETATM   31  O   UNL     1       7.272   0.811  -0.841  1.00  0.00           O  
HETATM   32  C   UNL     1      -9.442  -3.801  -2.037  1.00  0.00           C  
HETATM   33  C   UNL     1     -11.346  -1.002  -0.445  1.00  0.00           C  
HETATM   34  C   UNL     1      -6.417  -1.714  -2.335  1.00  0.00           C  
HETATM   35  N   UNL     1     -14.265   0.773   0.528  1.00  0.00           N  
HETATM   36  O   UNL     1      -9.839   1.981   0.725  1.00  0.00           O  
HETATM   37  C   UNL     1      -1.601   0.126   1.867  1.00  0.00           C  
HETATM   38  C   UNL     1      -0.834   1.012   0.883  1.00  0.00           C  
HETATM   39  O   UNL     1      -0.661   0.314  -0.352  1.00  0.00           O  
HETATM   40  C   UNL     1       0.535   1.359   1.470  1.00  0.00           C  
HETATM   41  O   UNL     1       0.362   2.057   2.704  1.00  0.00           O  
HETATM   42  C   UNL     1       1.302   2.245   0.486  1.00  0.00           C  
HETATM   43  O   UNL     1       1.476   1.547  -0.748  1.00  0.00           O  
HETATM   44  C   UNL     1       2.672   2.592   1.073  1.00  0.00           C  
HETATM   45  O   UNL     1       3.341   3.513   0.209  1.00  0.00           O  
HETATM   46  H   UNL     1     -12.278   2.269   1.015  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.875  -1.169  -2.346  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.381  -3.086  -0.001  1.00  0.00           H  
HETATM   49  H   UNL     1     -11.708  -2.760  -1.423  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.135  -2.822  -0.612  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.953   0.728   0.982  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.445  -1.873   0.260  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.720  -2.275  -0.587  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.097   1.203   1.487  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.818   1.596   2.329  1.00  0.00           H  
HETATM   56  C   UNL     1       8.593  -2.951  -0.688  1.00  0.00           C  
HETATM   57  H   UNL     1       4.587   4.203   1.715  1.00  0.00           H  
HETATM   58  H   UNL     1       8.704  -0.289  -3.062  1.00  0.00           H  
HETATM   59  H   UNL     1       5.416   5.924   0.445  1.00  0.00           H  
HETATM   60  H   UNL     1       3.361   5.758  -0.801  1.00  0.00           H  
HETATM   61  H   UNL     1       7.331   4.791  -0.315  1.00  0.00           H  
HETATM   62  H   UNL     1       6.577   5.881  -2.341  1.00  0.00           H  
HETATM   63  H   UNL     1       5.537   2.638  -1.570  1.00  0.00           H  
HETATM   64  H   UNL     1       8.079   2.505  -1.706  1.00  0.00           H  
HETATM   65  H   UNL     1       8.111   2.463   0.074  1.00  0.00           H  
HETATM   66  H   UNL     1      -8.404  -4.132  -2.039  1.00  0.00           H  
HETATM   67  H   UNL     1     -10.091  -4.643  -1.795  1.00  0.00           H  
HETATM   68  H   UNL     1      -9.702  -3.414  -3.022  1.00  0.00           H  
HETATM   69  H   UNL     1      -6.397  -0.675  -2.662  1.00  0.00           H  
HETATM   70  H   UNL     1      -5.400  -2.056  -2.146  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.869  -2.331  -3.113  1.00  0.00           H  
HETATM   72  H   UNL     1     -14.947   0.122   0.300  1.00  0.00           H  
HETATM   73  H   UNL     1     -14.520   1.627   0.912  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.656   0.622   2.836  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.084  -0.828   1.975  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.396   1.929   0.706  1.00  0.00           H  
HETATM   77  H   UNL     1      -0.168  -0.514  -0.269  1.00  0.00           H  
HETATM   78  H   UNL     1       1.097   0.442   1.647  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.131   2.885   2.622  1.00  0.00           H  
HETATM   80  H   UNL     1       0.740   3.162   0.309  1.00  0.00           H  
HETATM   81  H   UNL     1       1.969   0.719  -0.666  1.00  0.00           H  
HETATM   82  H   UNL     1       2.542   3.045   2.056  1.00  0.00           H  
HETATM   83  H   UNL     1       3.267   1.684   1.168  1.00  0.00           H  
HETATM   84  C   UNL     1       8.271  -3.678   0.618  1.00  0.00           C  
HETATM   85  C   UNL     1       8.703  -2.814   1.804  1.00  0.00           C  
HETATM   86  C   UNL     1       8.386  -3.530   3.091  1.00  0.00           C  
HETATM   87  O   UNL     1       7.867  -4.621   3.063  1.00  0.00           O  
HETATM   88  O   UNL     1       8.680  -2.957   4.269  1.00  0.00           O  
HETATM   89  C   UNL     1       8.281  -3.852  -1.855  1.00  0.00           C  
HETATM   90  O   UNL     1       7.466  -3.511  -2.680  1.00  0.00           O  
HETATM   91  O   UNL     1       8.908  -5.032  -1.979  1.00  0.00           O  
HETATM   92  H   UNL     1       9.651  -2.687  -0.706  1.00  0.00           H  
HETATM   93  H   UNL     1       7.198  -3.864   0.676  1.00  0.00           H  
HETATM   94  H   UNL     1       8.806  -4.628   0.647  1.00  0.00           H  
HETATM   95  H   UNL     1       9.776  -2.628   1.746  1.00  0.00           H  
HETATM   96  H   UNL     1       8.169  -1.864   1.775  1.00  0.00           H  
HETATM   97  H   UNL     1       8.457  -3.455   5.067  1.00  0.00           H  
HETATM   98  H   UNL     1       8.675  -5.575  -2.744  1.00  0.00           H  
CONECT    1    2    2   33                                            
CONECT    2    1    1    3   35                                       
CONECT    3    2    4   46                                            
CONECT    4    3   27   36   36                                       
CONECT    5    6   11   11   27                                       
CONECT    6    5    7    9   47                                       
CONECT    7    6    8   32   48                                       
CONECT    8    7   33   49                                            
CONECT    9    6   12   34   50                                       
CONECT   10   19   21   24   24                                       
CONECT   10   31                                                      
CONECT   11    5    5   12   51                                       
CONECT   12    9   11   16                                            
CONECT   13   14   14   18   37                                       
CONECT   14   13   13   15   52                                       
CONECT   15   14   16   16   53                                       
CONECT   16   12   15   15   17                                       
CONECT   17   16   18   18   54                                       
CONECT   18   13   17   17   55                                       
CONECT   19   10   56                                                 
CONECT   20   22   29   45   57                                       
CONECT   21   10   58                                                 
CONECT   22   20   23   25   59                                       
CONECT   23   22   60                                                 
CONECT   24   10   10                                                 
CONECT   25   22   26   28   61                                       
CONECT   26   25   62                                                 
CONECT   27    4    5   33   33                                       
CONECT   28   25   29   30   63                                       
CONECT   29   20   28                                                 
CONECT   30   28   31   64   65                                       
CONECT   31   10   30                                                 
CONECT   32    7   66   67   68                                       
CONECT   33    1    8   27   27                                       
CONECT   34    9   69   70   71                                       
CONECT   35    2   72   73                                            
CONECT   36    4    4                                                 
CONECT   37   13   38   74   75                                       
CONECT   38   37   39   40   76                                       
CONECT   39   38   77                                                 
CONECT   40   38   41   42   78                                       
CONECT   41   40   79                                                 
CONECT   42   40   43   44   80                                       
CONECT   43   42   81                                                 
CONECT   44   42   45   82   83                                       
CONECT   45   20   44                                                 
CONECT   46    3                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   14                                                      
CONECT   53   15                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   19   84   89   92                                       
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   25                                                      
CONECT   62   26                                                      
CONECT   63   28                                                      
CONECT   64   30                                                      
CONECT   65   30                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   34                                                      
CONECT   70   34                                                      
CONECT   71   34                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   37                                                      
CONECT   75   37                                                      
CONECT   76   38                                                      
CONECT   77   39                                                      
CONECT   78   40                                                      
CONECT   79   41                                                      
CONECT   80   42                                                      
CONECT   81   43                                                      
CONECT   82   44                                                      
CONECT   83   44                                                      
CONECT   84   56   85   93   94                                       
CONECT   85   84   86   95   96                                       
CONECT   86   85   87   87   88                                       
CONECT   87   86   86                                                 
CONECT   88   86   97                                                 
CONECT   89   56   90   90   91                                       
CONECT   90   89   89                                                 
CONECT   91   89   98                                                 
CONECT   92   56                                                      
CONECT   93   84                                                      
CONECT   94   84                                                      
CONECT   95   85                                                      
CONECT   96   85                                                      
CONECT   97   88                                                      
CONECT   98   91                                                      
MASTER        0    0    0    0    0    0    0    0   98    0   98    0
END
