COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.907  -0.815   0.280  1.00  0.00           C  
HETATM    2  C   UNL     1      12.509  -0.962   1.483  1.00  0.00           C  
HETATM    3  C   UNL     1      13.992  -1.005   1.748  1.00  0.00           C  
HETATM    4  O   UNL     1      11.530  -1.064   2.392  1.00  0.00           O  
HETATM    5  N   UNL     1      10.435  -0.995   1.884  1.00  0.00           N  
HETATM    6  C   UNL     1      10.518  -0.834   0.587  1.00  0.00           C  
HETATM    7  C   UNL     1       9.392  -0.709  -0.370  1.00  0.00           C  
HETATM    8  O   UNL     1       9.615  -0.573  -1.557  1.00  0.00           O  
HETATM    9  N   UNL     1       8.121  -0.747   0.076  1.00  0.00           N  
HETATM   10  C   UNL     1       7.008  -0.623  -0.869  1.00  0.00           C  
HETATM   11  C   UNL     1       5.796  -0.088  -0.150  1.00  0.00           C  
HETATM   12  O   UNL     1       5.856   0.164   1.034  1.00  0.00           O  
HETATM   13  C   UNL     1       6.686  -1.997  -1.460  1.00  0.00           C  
HETATM   14  N   UNL     1       4.646   0.109  -0.825  1.00  0.00           N  
HETATM   15  C   UNL     1       3.467   0.628  -0.127  1.00  0.00           C  
HETATM   16  C   UNL     1       2.221   0.199  -0.857  1.00  0.00           C  
HETATM   17  O   UNL     1       2.286  -0.144  -2.018  1.00  0.00           O  
HETATM   18  C   UNL     1       3.533   2.157  -0.083  1.00  0.00           C  
HETATM   19  C   UNL     1       2.358   2.694   0.736  1.00  0.00           C  
HETATM   20  C   UNL     1       4.848   2.592   0.565  1.00  0.00           C  
HETATM   21  N   UNL     1       1.033   0.197  -0.220  1.00  0.00           N  
HETATM   22  C   UNL     1      -0.158  -0.326  -0.892  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.384   0.365  -0.353  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.349   0.900   0.735  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.267  -1.831  -0.638  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.484  -2.386  -1.381  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.270  -2.243  -2.889  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.665  -3.865  -1.030  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.681   1.139  -0.598  1.00  0.00           C  
HETATM   30  C   UNL     1      -4.943   0.505  -1.126  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.858   0.040  -0.279  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.088  -0.578  -0.794  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.593   2.585  -1.090  1.00  0.00           C  
HETATM   34  C   UNL     1      -4.743   3.398  -0.494  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.700   4.855  -1.009  1.00  0.00           C  
HETATM   36  C   UNL     1      -3.898   5.560   0.107  1.00  0.00           C  
HETATM   37  N   UNL     1      -4.109   4.750   1.313  1.00  0.00           N  
HETATM   38  C   UNL     1      -4.578   3.529   1.004  1.00  0.00           C  
HETATM   39  O   UNL     1      -4.833   2.658   1.810  1.00  0.00           O  
HETATM   40  N   UNL     1      -2.519   0.387  -1.079  1.00  0.00           N  
HETATM   41  O   UNL     1      -7.269  -0.665  -1.992  1.00  0.00           O  
HETATM   42  C   UNL     1      -9.205  -1.647  -0.515  1.00  0.00           C  
HETATM   43  O   UNL     1      -8.015  -1.050   0.064  1.00  0.00           O  
HETATM   44  C   UNL     1     -11.079  -1.259   1.099  1.00  0.00           C  
HETATM   45  C   UNL     1     -11.918  -1.686   2.110  1.00  0.00           C  
HETATM   46  C   UNL     1     -11.795  -2.967   2.615  1.00  0.00           C  
HETATM   47  C   UNL     1     -10.833  -3.820   2.109  1.00  0.00           C  
HETATM   48  C   UNL     1      -9.993  -3.393   1.097  1.00  0.00           C  
HETATM   49  C   UNL     1     -10.120  -2.114   0.588  1.00  0.00           C  
HETATM   50  H   UNL     1      12.373  -0.703  -0.688  1.00  0.00           H  
HETATM   51  H   UNL     1      14.357   0.005   1.934  1.00  0.00           H  
HETATM   52  H   UNL     1      14.187  -1.628   2.621  1.00  0.00           H  
HETATM   53  H   UNL     1      14.504  -1.423   0.882  1.00  0.00           H  
HETATM   54  H   UNL     1       7.943  -0.855   1.024  1.00  0.00           H  
HETATM   55  H   UNL     1       7.287   0.061  -1.670  1.00  0.00           H  
HETATM   56  H   UNL     1       5.858  -1.905  -2.163  1.00  0.00           H  
HETATM   57  H   UNL     1       7.563  -2.384  -1.979  1.00  0.00           H  
HETATM   58  H   UNL     1       6.408  -2.681  -0.658  1.00  0.00           H  
HETATM   59  H   UNL     1       4.598  -0.093  -1.772  1.00  0.00           H  
HETATM   60  H   UNL     1       3.445   0.237   0.890  1.00  0.00           H  
HETATM   61  H   UNL     1       3.479   2.551  -1.098  1.00  0.00           H  
HETATM   62  H   UNL     1       2.338   2.203   1.708  1.00  0.00           H  
HETATM   63  H   UNL     1       2.473   3.769   0.874  1.00  0.00           H  
HETATM   64  H   UNL     1       1.425   2.494   0.208  1.00  0.00           H  
HETATM   65  H   UNL     1       5.685   2.209  -0.019  1.00  0.00           H  
HETATM   66  H   UNL     1       4.895   3.681   0.595  1.00  0.00           H  
HETATM   67  H   UNL     1       4.902   2.198   1.579  1.00  0.00           H  
HETATM   68  H   UNL     1       0.968   0.543   0.684  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.080  -0.143  -1.964  1.00  0.00           H  
HETATM   70  H   UNL     1       0.635  -2.326  -0.997  1.00  0.00           H  
HETATM   71  H   UNL     1      -0.381  -2.012   0.431  1.00  0.00           H  
HETATM   72  H   UNL     1      -2.375  -1.832  -1.086  1.00  0.00           H  
HETATM   73  H   UNL     1      -0.420  -2.853  -3.195  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.164  -2.575  -3.417  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.072  -1.198  -3.131  1.00  0.00           H  
HETATM   76  H   UNL     1      -1.817  -3.967   0.044  1.00  0.00           H  
HETATM   77  H   UNL     1      -2.531  -4.260  -1.560  1.00  0.00           H  
HETATM   78  H   UNL     1      -0.774  -4.420  -1.325  1.00  0.00           H  
HETATM   79  H   UNL     1      -3.697   1.126   0.492  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.104   0.428  -2.191  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.697   0.116   0.786  1.00  0.00           H  
HETATM   82  H   UNL     1      -2.642   3.017  -0.778  1.00  0.00           H  
HETATM   83  H   UNL     1      -3.660   2.603  -2.178  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.701   2.935  -0.733  1.00  0.00           H  
HETATM   85  H   UNL     1      -4.177   4.916  -1.963  1.00  0.00           H  
HETATM   86  H   UNL     1      -5.705   5.270  -1.090  1.00  0.00           H  
HETATM   87  H   UNL     1      -2.838   5.586  -0.149  1.00  0.00           H  
HETATM   88  H   UNL     1      -4.274   6.571   0.262  1.00  0.00           H  
HETATM   89  H   UNL     1      -3.933   5.056   2.216  1.00  0.00           H  
HETATM   90  H   UNL     1      -2.567  -0.094  -1.919  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.722  -0.908  -1.127  1.00  0.00           H  
HETATM   92  H   UNL     1      -8.920  -2.498  -1.134  1.00  0.00           H  
HETATM   93  H   UNL     1     -11.175  -0.258   0.704  1.00  0.00           H  
HETATM   94  H   UNL     1     -12.670  -1.020   2.506  1.00  0.00           H  
HETATM   95  H   UNL     1     -12.451  -3.302   3.406  1.00  0.00           H  
HETATM   96  H   UNL     1     -10.736  -4.821   2.503  1.00  0.00           H  
HETATM   97  H   UNL     1      -9.241  -4.059   0.701  1.00  0.00           H  
CONECT    1    6    2    2   50                                       
CONECT    2    1    1    4    3                                       
CONECT    3    2   51   52   53                                       
CONECT    4    2    5                                                 
CONECT    5    4    6    6                                            
CONECT    6    1    5    5    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7                                                 
CONECT    9   10   54    7                                            
CONECT   10    9   11   13   55                                       
CONECT   11   10   12   12   14                                       
CONECT   12   11   11                                                 
CONECT   13   10   56   57   58                                       
CONECT   14   15   59   11                                            
CONECT   15   14   16   18   60                                       
CONECT   16   15   17   17   21                                       
CONECT   17   16   16                                                 
CONECT   18   15   19   20   61                                       
CONECT   19   18   62   63   64                                       
CONECT   20   18   65   66   67                                       
CONECT   21   22   68   16                                            
CONECT   22   21   23   25   69                                       
CONECT   23   22   24   24   40                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   70   71                                       
CONECT   26   25   27   28   72                                       
CONECT   27   26   73   74   75                                       
CONECT   28   26   76   77   78                                       
CONECT   29   33   30   40   79                                       
CONECT   30   31   31   29   80                                       
CONECT   31   32   30   30   81                                       
CONECT   32   41   41   31   43                                       
CONECT   33   34   29   82   83                                       
CONECT   34   35   38   33   84                                       
CONECT   35   36   34   85   86                                       
CONECT   36   35   37   87   88                                       
CONECT   37   36   38   89                                            
CONECT   38   37   34   39   39                                       
CONECT   39   38   38                                                 
CONECT   40   29   90   23                                            
CONECT   41   32   32                                                 
CONECT   42   43   49   91   92                                       
CONECT   43   42   32                                                 
CONECT   44   49   49   45   93                                       
CONECT   45   44   46   46   94                                       
CONECT   46   45   45   47   95                                       
CONECT   47   46   48   48   96                                       
CONECT   48   47   47   49   97                                       
CONECT   49   42   44   44   48                                       
CONECT   50    1                                                      
CONECT   51    3                                                      
CONECT   52    3                                                      
CONECT   53    3                                                      
CONECT   54    9                                                      
CONECT   55   10                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   15                                                      
CONECT   61   18                                                      
CONECT   62   19                                                      
CONECT   63   19                                                      
CONECT   64   19                                                      
CONECT   65   20                                                      
CONECT   66   20                                                      
CONECT   67   20                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   27                                                      
CONECT   76   28                                                      
CONECT   77   28                                                      
CONECT   78   28                                                      
CONECT   79   29                                                      
CONECT   80   30                                                      
CONECT   81   31                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   35                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   40                                                      
CONECT   91   42                                                      
CONECT   92   42                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   46                                                      
CONECT   96   47                                                      
CONECT   97   48                                                      
MASTER        0    0    0    0    0    0    0    0   97    0   97    0
END
