COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       3.075  -3.020   1.552  1.00  0.00           O  
HETATM    2  C   UNL     1       2.721  -2.536   0.503  1.00  0.00           C  
HETATM    3  C   UNL     1       3.661  -1.649  -0.273  1.00  0.00           C  
HETATM    4  C   UNL     1       4.984  -1.522   0.485  1.00  0.00           C  
HETATM    5  C   UNL     1       5.939  -0.623  -0.302  1.00  0.00           C  
HETATM    6  C   UNL     1       7.262  -0.495   0.456  1.00  0.00           C  
HETATM    7  C   UNL     1       8.217   0.404  -0.332  1.00  0.00           C  
HETATM    8  C   UNL     1       9.540   0.531   0.426  1.00  0.00           C  
HETATM    9  C   UNL     1      10.494   1.431  -0.362  1.00  0.00           C  
HETATM   10  C   UNL     1      11.817   1.558   0.396  1.00  0.00           C  
HETATM   11  C   UNL     1      12.771   2.458  -0.392  1.00  0.00           C  
HETATM   12  C   UNL     1      14.094   2.585   0.366  1.00  0.00           C  
HETATM   13  C   UNL     1      15.049   3.485  -0.422  1.00  0.00           C  
HETATM   14  C   UNL     1      16.372   3.612   0.336  1.00  0.00           C  
HETATM   15  C   UNL     1      17.327   4.511  -0.451  1.00  0.00           C  
HETATM   16  O   UNL     1       1.493  -2.791   0.026  1.00  0.00           O  
HETATM   17  C   UNL     1       0.643  -3.658   0.824  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.707  -3.831   0.125  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.482  -4.341  -1.300  1.00  0.00           C  
HETATM   20  O   UNL     1       0.406  -3.457  -1.987  1.00  0.00           O  
HETATM   21  O   UNL     1      -1.396  -2.554   0.079  1.00  0.00           O  
HETATM   22  C   UNL     1      -2.738  -2.585   0.097  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.317  -3.644   0.148  1.00  0.00           O  
HETATM   24  C   UNL     1      -3.522  -1.299   0.052  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.019  -1.612   0.083  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.815  -0.306   0.037  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.312  -0.620   0.068  1.00  0.00           C  
HETATM   28  C   UNL     1      -8.108   0.686   0.022  1.00  0.00           C  
HETATM   29  C   UNL     1      -9.605   0.372   0.053  1.00  0.00           C  
HETATM   30  C   UNL     1     -10.401   1.678   0.007  1.00  0.00           C  
HETATM   31  C   UNL     1     -11.898   1.364   0.038  1.00  0.00           C  
HETATM   32  C   UNL     1     -12.694   2.670  -0.007  1.00  0.00           C  
HETATM   33  C   UNL     1     -14.191   2.356   0.023  1.00  0.00           C  
HETATM   34  C   UNL     1     -14.986   3.662  -0.022  1.00  0.00           C  
HETATM   35  C   UNL     1     -16.484   3.349   0.009  1.00  0.00           C  
HETATM   36  C   UNL     1     -17.279   4.655  -0.037  1.00  0.00           C  
HETATM   37  H   UNL     1       3.845  -2.086  -1.254  1.00  0.00           H  
HETATM   38  H   UNL     1       3.215  -0.662  -0.392  1.00  0.00           H  
HETATM   39  H   UNL     1       4.800  -1.085   1.467  1.00  0.00           H  
HETATM   40  H   UNL     1       5.431  -2.509   0.605  1.00  0.00           H  
HETATM   41  H   UNL     1       6.123  -1.059  -1.284  1.00  0.00           H  
HETATM   42  H   UNL     1       5.492   0.364  -0.422  1.00  0.00           H  
HETATM   43  H   UNL     1       7.078  -0.059   1.437  1.00  0.00           H  
HETATM   44  H   UNL     1       7.708  -1.482   0.575  1.00  0.00           H  
HETATM   45  H   UNL     1       8.401  -0.033  -1.314  1.00  0.00           H  
HETATM   46  H   UNL     1       7.770   1.391  -0.452  1.00  0.00           H  
HETATM   47  H   UNL     1       9.355   0.968   1.407  1.00  0.00           H  
HETATM   48  H   UNL     1       9.986  -0.456   0.545  1.00  0.00           H  
HETATM   49  H   UNL     1      10.678   0.994  -1.344  1.00  0.00           H  
HETATM   50  H   UNL     1      10.047   2.418  -0.481  1.00  0.00           H  
HETATM   51  H   UNL     1      11.633   1.995   1.378  1.00  0.00           H  
HETATM   52  H   UNL     1      12.264   0.571   0.516  1.00  0.00           H  
HETATM   53  H   UNL     1      12.956   2.021  -1.373  1.00  0.00           H  
HETATM   54  H   UNL     1      12.325   3.445  -0.511  1.00  0.00           H  
HETATM   55  H   UNL     1      13.910   3.022   1.348  1.00  0.00           H  
HETATM   56  H   UNL     1      14.541   1.598   0.486  1.00  0.00           H  
HETATM   57  H   UNL     1      15.233   3.048  -1.403  1.00  0.00           H  
HETATM   58  H   UNL     1      14.602   4.472  -0.541  1.00  0.00           H  
HETATM   59  H   UNL     1      16.188   4.049   1.318  1.00  0.00           H  
HETATM   60  H   UNL     1      16.819   2.625   0.456  1.00  0.00           H  
HETATM   61  H   UNL     1      16.880   5.498  -0.571  1.00  0.00           H  
HETATM   62  H   UNL     1      18.269   4.602   0.089  1.00  0.00           H  
HETATM   63  H   UNL     1      17.511   4.075  -1.433  1.00  0.00           H  
HETATM   64  H   UNL     1       1.121  -4.630   0.938  1.00  0.00           H  
HETATM   65  H   UNL     1       0.489  -3.211   1.806  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.311  -4.551   0.677  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.045  -5.339  -1.264  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.435  -4.380  -1.827  1.00  0.00           H  
HETATM   69  H   UNL     1       0.594  -3.718  -2.899  1.00  0.00           H  
HETATM   70  H   UNL     1      -3.261  -0.684   0.913  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.282  -0.759  -0.865  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.279  -2.227  -0.779  1.00  0.00           H  
HETATM   73  H   UNL     1      -5.258  -2.152   0.999  1.00  0.00           H  
HETATM   74  H   UNL     1      -5.554   0.308   0.899  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.575   0.233  -0.880  1.00  0.00           H  
HETATM   76  H   UNL     1      -7.572  -1.235  -0.794  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.551  -1.160   0.984  1.00  0.00           H  
HETATM   78  H   UNL     1      -7.847   1.300   0.884  1.00  0.00           H  
HETATM   79  H   UNL     1      -7.868   1.225  -0.894  1.00  0.00           H  
HETATM   80  H   UNL     1      -9.865  -0.242  -0.809  1.00  0.00           H  
HETATM   81  H   UNL     1      -9.844  -0.167   0.969  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.140   2.293   0.869  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.161   2.217  -0.909  1.00  0.00           H  
HETATM   84  H   UNL     1     -12.158   0.750  -0.824  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.137   0.825   0.955  1.00  0.00           H  
HETATM   86  H   UNL     1     -12.433   3.285   0.854  1.00  0.00           H  
HETATM   87  H   UNL     1     -12.454   3.210  -0.924  1.00  0.00           H  
HETATM   88  H   UNL     1     -14.451   1.742  -0.838  1.00  0.00           H  
HETATM   89  H   UNL     1     -14.430   1.817   0.940  1.00  0.00           H  
HETATM   90  H   UNL     1     -14.726   4.277   0.840  1.00  0.00           H  
HETATM   91  H   UNL     1     -14.747   4.202  -0.939  1.00  0.00           H  
HETATM   92  H   UNL     1     -16.744   2.734  -0.853  1.00  0.00           H  
HETATM   93  H   UNL     1     -16.723   2.809   0.925  1.00  0.00           H  
HETATM   94  H   UNL     1     -17.019   5.269   0.825  1.00  0.00           H  
HETATM   95  H   UNL     1     -17.040   5.194  -0.953  1.00  0.00           H  
HETATM   96  H   UNL     1     -18.346   4.431  -0.015  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3   16    1    1                                       
CONECT    3    4    2   37   38                                       
CONECT    4    5    3   39   40                                       
CONECT    5    6    4   41   42                                       
CONECT    6    7    5   43   44                                       
CONECT    7    8    6   45   46                                       
CONECT    8    9    7   47   48                                       
CONECT    9   10    8   49   50                                       
CONECT   10   11    9   51   52                                       
CONECT   11   12   10   53   54                                       
CONECT   12   13   11   55   56                                       
CONECT   13   14   12   57   58                                       
CONECT   14   15   13   59   60                                       
CONECT   15   14   61   62   63                                       
CONECT   16    2   17                                                 
CONECT   17   16   18   64   65                                       
CONECT   18   21   17   19   66                                       
CONECT   19   18   20   67   68                                       
CONECT   20   19   69                                                 
CONECT   21   22   18                                                 
CONECT   22   24   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   25   22   70   71                                       
CONECT   25   26   24   72   73                                       
CONECT   26   27   25   74   75                                       
CONECT   27   28   26   76   77                                       
CONECT   28   29   27   78   79                                       
CONECT   29   30   28   80   81                                       
CONECT   30   31   29   82   83                                       
CONECT   31   32   30   84   85                                       
CONECT   32   33   31   86   87                                       
CONECT   33   34   32   88   89                                       
CONECT   34   35   33   90   91                                       
CONECT   35   36   34   92   93                                       
CONECT   36   35   94   95   96                                       
CONECT   37    3                                                      
CONECT   38    3                                                      
CONECT   39    4                                                      
CONECT   40    4                                                      
CONECT   41    5                                                      
CONECT   42    5                                                      
CONECT   43    6                                                      
CONECT   44    6                                                      
CONECT   45    7                                                      
CONECT   46    7                                                      
CONECT   47    8                                                      
CONECT   48    8                                                      
CONECT   49    9                                                      
CONECT   50    9                                                      
CONECT   51   10                                                      
CONECT   52   10                                                      
CONECT   53   11                                                      
CONECT   54   11                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   13                                                      
CONECT   58   13                                                      
CONECT   59   14                                                      
CONECT   60   14                                                      
CONECT   61   15                                                      
CONECT   62   15                                                      
CONECT   63   15                                                      
CONECT   64   17                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   19                                                      
CONECT   68   19                                                      
CONECT   69   20                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   25                                                      
CONECT   73   25                                                      
CONECT   74   26                                                      
CONECT   75   26                                                      
CONECT   76   27                                                      
CONECT   77   27                                                      
CONECT   78   28                                                      
CONECT   79   28                                                      
CONECT   80   29                                                      
CONECT   81   29                                                      
CONECT   82   30                                                      
CONECT   83   30                                                      
CONECT   84   31                                                      
CONECT   85   31                                                      
CONECT   86   32                                                      
CONECT   87   32                                                      
CONECT   88   33                                                      
CONECT   89   33                                                      
CONECT   90   34                                                      
CONECT   91   34                                                      
CONECT   92   35                                                      
CONECT   93   35                                                      
CONECT   94   36                                                      
CONECT   95   36                                                      
CONECT   96   36                                                      
MASTER        0    0    0    0    0    0    0    0   96    0   96    0
END
