COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.660   3.698   1.015  1.00  0.00           C  
HETATM    2  N   UNL     1       0.586   4.050   0.635  1.00  0.00           N  
HETATM    3  O   UNL     1      -0.870   3.299   2.143  1.00  0.00           O  
HETATM    4  C   UNL     1      -1.783   3.774   0.082  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.991  -0.622  -4.121  1.00  0.00           N  
HETATM    6  O   UNL     1      -3.385   0.808   0.507  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.987   3.308   0.481  1.00  0.00           C  
HETATM    8  O   UNL     1      -4.745  -0.125  -1.855  1.00  0.00           O  
HETATM    9  C   UNL     1      -4.165   3.351  -0.370  1.00  0.00           C  
HETATM   10  O   UNL     1      -6.616  -1.007  -2.658  1.00  0.00           O  
HETATM   11  C   UNL     1      -4.999   2.314  -0.456  1.00  0.00           C  
HETATM   12  O   UNL     1      -2.075  -3.454  -1.110  1.00  0.00           O  
HETATM   13  C   UNL     1      -4.779   1.026   0.291  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.532  -3.487   2.155  1.00  0.00           O  
HETATM   15  C   UNL     1      -5.348  -0.132  -0.534  1.00  0.00           C  
HETATM   16  C   UNL     1      -5.062  -1.454   0.139  1.00  0.00           C  
HETATM   17  O   UNL     1       4.958   2.503  -0.089  1.00  0.00           O  
HETATM   18  C   UNL     1      -3.834  -1.892   0.209  1.00  0.00           C  
HETATM   19  O   UNL     1      -0.032   1.318   1.007  1.00  0.00           O  
HETATM   20  C   UNL     1      -3.455  -3.202   0.842  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.085  -3.638   0.309  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.960  -2.836   0.950  1.00  0.00           C  
HETATM   23  C   UNL     1       0.249  -2.741   0.014  1.00  0.00           C  
HETATM   24  C   UNL     1       0.634  -1.271  -0.169  1.00  0.00           C  
HETATM   25  C   UNL     1       1.621  -0.854   0.925  1.00  0.00           C  
HETATM   26  C   UNL     1       2.082   0.558   0.683  1.00  0.00           C  
HETATM   27  C   UNL     1       3.376   0.840   0.407  1.00  0.00           C  
HETATM   28  C   UNL     1       3.798   2.250   0.171  1.00  0.00           C  
HETATM   29  C   UNL     1       2.807   3.326   0.257  1.00  0.00           C  
HETATM   30  C   UNL     1       1.523   3.019   0.549  1.00  0.00           C  
HETATM   31  C   UNL     1       1.123   1.610   0.762  1.00  0.00           C  
HETATM   32  C   UNL     1      -1.596   4.355  -1.293  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.050   0.480   1.857  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.491  -0.600  -2.870  1.00  0.00           C  
HETATM   35  C   UNL     1      -6.216  -2.247   0.701  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.417  -3.069   2.363  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.191  -2.588   3.212  1.00  0.00           C  
HETATM   38  C   UNL     1       1.283  -1.093  -1.543  1.00  0.00           C  
HETATM   39  N   UNL     1       4.319  -0.158   0.341  1.00  0.00           N  
HETATM   40  C   UNL     1       5.715   0.172   0.039  1.00  0.00           C  
HETATM   41  C   UNL     1       6.550  -1.110   0.025  1.00  0.00           C  
HETATM   42  N   UNL     1       7.949  -0.779  -0.277  1.00  0.00           N  
HETATM   43  C   UNL     1       8.096  -0.327  -1.676  1.00  0.00           C  
HETATM   44  C   UNL     1       9.493  -0.835  -2.112  1.00  0.00           C  
HETATM   45  C   UNL     1       9.565  -2.209  -1.395  1.00  0.00           C  
HETATM   46  C   UNL     1       8.825  -1.946  -0.066  1.00  0.00           C  
HETATM   47  H   UNL     1       0.837   4.961   0.409  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.529  -0.964  -4.853  1.00  0.00           H  
HETATM   49  H   UNL     1      -4.093  -0.297  -4.290  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.070   2.901   1.486  1.00  0.00           H  
HETATM   51  H   UNL     1      -4.366   4.214  -0.991  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.874   2.405  -1.093  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.751  -3.964  -1.578  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.294   1.068   1.251  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.428  -0.006  -0.629  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.042  -1.283  -0.225  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.185  -3.970   0.567  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.944  -4.701   0.525  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.301  -1.829   1.189  1.00  0.00           H  
HETATM   60  H   UNL     1       1.090  -3.272   0.470  1.00  0.00           H  
HETATM   61  H   UNL     1       0.035  -3.188  -0.950  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.261  -0.653  -0.108  1.00  0.00           H  
HETATM   63  H   UNL     1       1.119  -0.904   1.896  1.00  0.00           H  
HETATM   64  H   UNL     1       2.463  -1.541   0.933  1.00  0.00           H  
HETATM   65  H   UNL     1       3.095   4.352   0.088  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.314   3.563  -1.987  1.00  0.00           H  
HETATM   67  H   UNL     1      -2.528   4.813  -1.624  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.810   5.110  -1.265  1.00  0.00           H  
HETATM   69  H   UNL     1      -3.640  -0.379   2.178  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.990   0.236   1.919  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.266   1.331   2.502  1.00  0.00           H  
HETATM   72  H   UNL     1      -6.602  -2.919  -0.066  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.875  -2.828   1.557  1.00  0.00           H  
HETATM   74  H   UNL     1      -7.006  -1.565   1.016  1.00  0.00           H  
HETATM   75  H   UNL     1      -4.401  -2.772   2.726  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.141  -4.027   2.805  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.682  -2.315   2.644  1.00  0.00           H  
HETATM   78  H   UNL     1       0.722  -2.052   2.952  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.002  -1.875   3.358  1.00  0.00           H  
HETATM   80  H   UNL     1      -0.032  -3.151   4.131  1.00  0.00           H  
HETATM   81  H   UNL     1       0.576  -1.387  -2.319  1.00  0.00           H  
HETATM   82  H   UNL     1       1.560  -0.048  -1.681  1.00  0.00           H  
HETATM   83  H   UNL     1       2.174  -1.717  -1.608  1.00  0.00           H  
HETATM   84  H   UNL     1       4.061  -1.081   0.494  1.00  0.00           H  
HETATM   85  H   UNL     1       5.772   0.653  -0.937  1.00  0.00           H  
HETATM   86  H   UNL     1       6.101   0.849   0.801  1.00  0.00           H  
HETATM   87  H   UNL     1       6.494  -1.591   1.002  1.00  0.00           H  
HETATM   88  H   UNL     1       6.164  -1.787  -0.736  1.00  0.00           H  
HETATM   89  H   UNL     1       7.320  -0.768  -2.302  1.00  0.00           H  
HETATM   90  H   UNL     1       8.052   0.761  -1.730  1.00  0.00           H  
HETATM   91  H   UNL     1       9.545  -0.955  -3.194  1.00  0.00           H  
HETATM   92  H   UNL     1      10.279  -0.168  -1.757  1.00  0.00           H  
HETATM   93  H   UNL     1       9.051  -2.974  -1.977  1.00  0.00           H  
HETATM   94  H   UNL     1      10.600  -2.493  -1.210  1.00  0.00           H  
HETATM   95  H   UNL     1       9.546  -1.731   0.723  1.00  0.00           H  
HETATM   96  H   UNL     1       8.226  -2.816   0.203  1.00  0.00           H  
CONECT    1    4    2    3    3                                       
CONECT    2    1   30   47                                            
CONECT    3    1    1                                                 
CONECT    4    1   32    7    7                                       
CONECT    5   34   48   49                                            
CONECT    6   13   33                                                 
CONECT    7    4    4    9   50                                       
CONECT    8   15   34                                                 
CONECT    9    7   11   11   51                                       
CONECT   10   34   34                                                 
CONECT   11    9    9   13   52                                       
CONECT   12   21   53                                                 
CONECT   13    6   11   15   54                                       
CONECT   14   37   22                                                 
CONECT   15    8   13   16   55                                       
CONECT   16   15   18   18   35                                       
CONECT   17   28   28                                                 
CONECT   18   16   16   20   56                                       
CONECT   19   31   31                                                 
CONECT   20   18   21   36   57                                       
CONECT   21   12   20   22   58                                       
CONECT   22   14   21   23   59                                       
CONECT   23   22   24   60   61                                       
CONECT   24   23   25   38   62                                       
CONECT   25   24   26   63   64                                       
CONECT   26   25   27   27   31                                       
CONECT   27   26   26   39   28                                       
CONECT   28   17   17   27   29                                       
CONECT   29   28   30   30   65                                       
CONECT   30    2   29   29   31                                       
CONECT   31   19   19   26   30                                       
CONECT   32    4   66   67   68                                       
CONECT   33    6   69   70   71                                       
CONECT   34    5    8   10   10                                       
CONECT   35   16   72   73   74                                       
CONECT   36   20   75   76   77                                       
CONECT   37   14   78   79   80                                       
CONECT   38   24   81   82   83                                       
CONECT   39   27   40   84                                            
CONECT   40   39   41   85   86                                       
CONECT   41   40   42   87   88                                       
CONECT   42   41   43   46                                            
CONECT   43   42   44   89   90                                       
CONECT   44   43   45   91   92                                       
CONECT   45   44   46   93   94                                       
CONECT   46   42   45   95   96                                       
CONECT   47    2                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    7                                                      
CONECT   51    9                                                      
CONECT   52   11                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   15                                                      
CONECT   56   18                                                      
CONECT   57   20                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   23                                                      
CONECT   61   23                                                      
CONECT   62   24                                                      
CONECT   63   25                                                      
CONECT   64   25                                                      
CONECT   65   29                                                      
CONECT   66   32                                                      
CONECT   67   32                                                      
CONECT   68   32                                                      
CONECT   69   33                                                      
CONECT   70   33                                                      
CONECT   71   33                                                      
CONECT   72   35                                                      
CONECT   73   35                                                      
CONECT   74   35                                                      
CONECT   75   36                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   37                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   39                                                      
CONECT   85   40                                                      
CONECT   86   40                                                      
CONECT   87   41                                                      
CONECT   88   41                                                      
CONECT   89   43                                                      
CONECT   90   43                                                      
CONECT   91   44                                                      
CONECT   92   44                                                      
CONECT   93   45                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   46                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
