COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.286  -5.169   1.198  1.00  0.00           C  
HETATM    2  O   UNL     1       0.815  -5.892   0.326  1.00  0.00           O  
HETATM    3  O   UNL     1       2.551  -4.653   1.178  1.00  0.00           O  
HETATM    4  C   UNL     1       3.351  -5.005   0.043  1.00  0.00           C  
HETATM    5  C   UNL     1       4.700  -4.362   0.177  1.00  0.00           C  
HETATM    6  C   UNL     1       4.913  -3.093  -0.350  1.00  0.00           C  
HETATM    7  C   UNL     1       5.725  -5.041   0.826  1.00  0.00           C  
HETATM    8  C   UNL     1       6.167  -2.495  -0.226  1.00  0.00           C  
HETATM    9  C   UNL     1       6.979  -4.443   0.950  1.00  0.00           C  
HETATM   10  C   UNL     1       7.200  -3.170   0.424  1.00  0.00           C  
HETATM   11  N   UNL     1       0.628  -4.753   2.339  1.00  0.00           N  
HETATM   12  C   UNL     1      -0.726  -5.121   2.665  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.992  -5.185   4.183  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.087  -6.185   4.911  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.854  -3.800   4.823  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.662  -4.141   1.965  1.00  0.00           C  
HETATM   17  O   UNL     1      -1.257  -3.157   1.349  1.00  0.00           O  
HETATM   18  N   UNL     1      -2.992  -4.520   2.075  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.089  -3.783   1.462  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.358  -4.290   0.041  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.408  -3.722  -0.985  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.735  -2.542  -1.635  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.226  -4.391  -1.260  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.857  -2.017  -2.583  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.348  -3.866  -2.209  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.663  -2.679  -2.870  1.00  0.00           C  
HETATM   27  P   UNL     1      -5.483  -4.011   2.574  1.00  0.00           P  
HETATM   28  O   UNL     1      -5.167  -3.667   4.002  1.00  0.00           O  
HETATM   29  O   UNL     1      -5.882  -5.566   2.358  1.00  0.00           O  
HETATM   30  N   UNL     1      -8.047  -3.412   2.724  1.00  0.00           N  
HETATM   31  C   UNL     1      -6.881  -3.105   1.908  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.669  -1.590   1.748  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.384  -0.842   3.028  1.00  0.00           C  
HETATM   34  C   UNL     1      -7.439  -0.323   3.761  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.072  -0.688   3.446  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.176   0.368   4.944  1.00  0.00           C  
HETATM   37  C   UNL     1      -4.808   0.003   4.629  1.00  0.00           C  
HETATM   38  C   UNL     1      -5.860   0.531   5.378  1.00  0.00           C  
HETATM   39  N   UNL     1     -11.555  -3.030   2.932  1.00  0.00           N  
HETATM   40  C   UNL     1     -10.383  -3.808   3.259  1.00  0.00           C  
HETATM   41  C   UNL     1     -10.720  -5.307   3.376  1.00  0.00           C  
HETATM   42  C   UNL     1     -11.318  -5.902   2.098  1.00  0.00           C  
HETATM   43  C   UNL     1      -9.510  -6.129   3.820  1.00  0.00           C  
HETATM   44  C   UNL     1      -9.333  -3.467   2.204  1.00  0.00           C  
HETATM   45  O   UNL     1      -9.619  -3.266   1.025  1.00  0.00           O  
HETATM   46  C   UNL     1     -14.392  -1.221   4.115  1.00  0.00           C  
HETATM   47  C   UNL     1     -15.420  -0.518   3.278  1.00  0.00           C  
HETATM   48  C   UNL     1     -15.231   0.815   2.931  1.00  0.00           C  
HETATM   49  C   UNL     1     -16.187   1.469   2.153  1.00  0.00           C  
HETATM   50  C   UNL     1     -17.508  -0.553   2.078  1.00  0.00           C  
HETATM   51  C   UNL     1     -16.552  -1.206   2.856  1.00  0.00           C  
HETATM   52  C   UNL     1     -17.325   0.785   1.726  1.00  0.00           C  
HETATM   53  O   UNL     1     -13.420  -1.824   3.253  1.00  0.00           O  
HETATM   54  C   UNL     1     -12.413  -2.505   3.876  1.00  0.00           C  
HETATM   55  O   UNL     1     -12.300  -2.624   5.091  1.00  0.00           O  
HETATM   56  H   UNL     1       2.845  -4.669  -0.868  1.00  0.00           H  
HETATM   57  H   UNL     1       3.445  -6.095  -0.006  1.00  0.00           H  
HETATM   58  H   UNL     1       4.114  -2.560  -0.859  1.00  0.00           H  
HETATM   59  H   UNL     1       5.562  -6.033   1.239  1.00  0.00           H  
HETATM   60  H   UNL     1       6.339  -1.504  -0.636  1.00  0.00           H  
HETATM   61  H   UNL     1       7.784  -4.968   1.457  1.00  0.00           H  
HETATM   62  H   UNL     1       8.177  -2.704   0.521  1.00  0.00           H  
HETATM   63  H   UNL     1       1.130  -4.152   2.988  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.884  -6.111   2.219  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.029  -5.511   4.339  1.00  0.00           H  
HETATM   66  H   UNL     1       0.965  -5.887   4.866  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.367  -6.254   5.968  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.175  -7.188   4.482  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.525  -3.081   4.342  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.114  -3.838   5.886  1.00  0.00           H  
HETATM   71  H   UNL     1       0.169  -3.418   4.742  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.212  -5.354   2.611  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.838  -2.720   1.438  1.00  0.00           H  
HETATM   74  H   UNL     1      -4.317  -5.386   0.024  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.381  -4.031  -0.258  1.00  0.00           H  
HETATM   76  H   UNL     1      -4.663  -2.019  -1.417  1.00  0.00           H  
HETATM   77  H   UNL     1      -1.971  -5.316  -0.750  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.103  -1.093  -3.098  1.00  0.00           H  
HETATM   79  H   UNL     1      -0.418  -4.382  -2.433  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.980  -2.271  -3.609  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.241  -6.265   2.607  1.00  0.00           H  
HETATM   82  H   UNL     1      -7.914  -3.594   3.714  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.075  -3.498   0.903  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.550  -1.138   1.273  1.00  0.00           H  
HETATM   85  H   UNL     1      -5.840  -1.422   1.049  1.00  0.00           H  
HETATM   86  H   UNL     1      -8.467  -0.446   3.431  1.00  0.00           H  
HETATM   87  H   UNL     1      -4.246  -1.096   2.870  1.00  0.00           H  
HETATM   88  H   UNL     1      -7.995   0.779   5.526  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.784   0.130   4.967  1.00  0.00           H  
HETATM   90  H   UNL     1      -5.655   1.069   6.298  1.00  0.00           H  
HETATM   91  H   UNL     1     -11.759  -2.861   1.952  1.00  0.00           H  
HETATM   92  H   UNL     1     -10.050  -3.430   4.233  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.480  -5.412   4.163  1.00  0.00           H  
HETATM   94  H   UNL     1     -12.209  -5.350   1.781  1.00  0.00           H  
HETATM   95  H   UNL     1     -11.618  -6.942   2.264  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.600  -5.895   1.272  1.00  0.00           H  
HETATM   97  H   UNL     1      -8.739  -6.157   3.047  1.00  0.00           H  
HETATM   98  H   UNL     1      -9.803  -7.163   4.031  1.00  0.00           H  
HETATM   99  H   UNL     1      -9.067  -5.716   4.732  1.00  0.00           H  
HETATM  100  H   UNL     1     -13.887  -0.518   4.786  1.00  0.00           H  
HETATM  101  H   UNL     1     -14.859  -1.998   4.730  1.00  0.00           H  
HETATM  102  H   UNL     1     -14.348   1.356   3.259  1.00  0.00           H  
HETATM  103  H   UNL     1     -16.045   2.510   1.879  1.00  0.00           H  
HETATM  104  H   UNL     1     -18.394  -1.085   1.745  1.00  0.00           H  
HETATM  105  H   UNL     1     -16.703  -2.248   3.125  1.00  0.00           H  
HETATM  106  H   UNL     1     -18.069   1.293   1.120  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   56   57                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5    8   58                                       
CONECT    7    5    9    9   59                                       
CONECT    8    6   10   10   60                                       
CONECT    9    7    7   10   61                                       
CONECT   10    8    8    9   62                                       
CONECT   11    1   12   63                                            
CONECT   12   11   13   16   64                                       
CONECT   13   12   14   15   65                                       
CONECT   14   13   66   67   68                                       
CONECT   15   13   69   70   71                                       
CONECT   16   12   17   17   18                                       
CONECT   17   16   16                                                 
CONECT   18   16   19   72                                            
CONECT   19   18   20   27   73                                       
CONECT   20   19   21   74   75                                       
CONECT   21   20   22   22   23                                       
CONECT   22   21   21   24   76                                       
CONECT   23   21   25   25   77                                       
CONECT   24   22   26   26   78                                       
CONECT   25   23   23   26   79                                       
CONECT   26   24   24   25   80                                       
CONECT   27   19   28   28   29                                       
CONECT   27   31                                                      
CONECT   28   27   27                                                 
CONECT   29   27   81                                                 
CONECT   30   31   44   82                                            
CONECT   31   27   30   32   83                                       
CONECT   32   31   33   84   85                                       
CONECT   33   32   34   34   35                                       
CONECT   34   33   33   36   86                                       
CONECT   35   33   37   37   87                                       
CONECT   36   34   38   38   88                                       
CONECT   37   35   35   38   89                                       
CONECT   38   36   36   37   90                                       
CONECT   39   40   54   91                                            
CONECT   40   39   41   44   92                                       
CONECT   41   40   42   43   93                                       
CONECT   42   41   94   95   96                                       
CONECT   43   41   97   98   99                                       
CONECT   44   30   40   45   45                                       
CONECT   45   44   44                                                 
CONECT   46   47   53  100  101                                       
CONECT   47   46   48   51   51                                       
CONECT   48   47   49   49  102                                       
CONECT   49   48   48   52  103                                       
CONECT   50   51   52   52  104                                       
CONECT   51   47   47   50  105                                       
CONECT   52   49   50   50  106                                       
CONECT   53   46   54                                                 
CONECT   54   39   53   55   55                                       
CONECT   55   54   54                                                 
CONECT   56    4                                                      
CONECT   57    4                                                      
CONECT   58    6                                                      
CONECT   59    7                                                      
CONECT   60    8                                                      
CONECT   61    9                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   12                                                      
CONECT   65   13                                                      
CONECT   66   14                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   15                                                      
CONECT   72   18                                                      
CONECT   73   19                                                      
CONECT   74   20                                                      
CONECT   75   20                                                      
CONECT   76   22                                                      
CONECT   77   23                                                      
CONECT   78   24                                                      
CONECT   79   25                                                      
CONECT   80   26                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   31                                                      
CONECT   84   32                                                      
CONECT   85   32                                                      
CONECT   86   34                                                      
CONECT   87   35                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   39                                                      
CONECT   92   40                                                      
CONECT   93   41                                                      
CONECT   94   42                                                      
CONECT   95   42                                                      
CONECT   96   42                                                      
CONECT   97   43                                                      
CONECT   98   43                                                      
CONECT   99   43                                                      
CONECT  100   46                                                      
CONECT  101   46                                                      
CONECT  102   48                                                      
CONECT  103   49                                                      
CONECT  104   50                                                      
CONECT  105   51                                                      
CONECT  106   52                                                      
MASTER        0    0    0    0    0    0    0    0  106    0  106    0
END
