COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.812   3.696   0.280  1.00  0.00           O  
HETATM    2  O   UNL     1      -2.600   4.407  -0.807  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.101   3.583  -0.078  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.926   2.428   0.430  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.348   2.536  -0.122  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.186   1.364   0.394  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.609   1.471  -0.159  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.446   0.299   0.357  1.00  0.00           C  
HETATM    9  C   UNL     1      -8.868   0.407  -0.195  1.00  0.00           C  
HETATM   10  C   UNL     1      -9.706  -0.765   0.321  1.00  0.00           C  
HETATM   11  C   UNL     1     -11.128  -0.658  -0.231  1.00  0.00           C  
HETATM   12  C   UNL     1     -11.966  -1.830   0.285  1.00  0.00           C  
HETATM   13  C   UNL     1     -13.389  -1.722  -0.268  1.00  0.00           C  
HETATM   14  C   UNL     1     -14.226  -2.894   0.248  1.00  0.00           C  
HETATM   15  C   UNL     1     -15.649  -2.787  -0.304  1.00  0.00           C  
HETATM   16  C   UNL     1     -16.486  -3.959   0.212  1.00  0.00           C  
HETATM   17  C   UNL     1     -17.909  -3.851  -0.341  1.00  0.00           C  
HETATM   18  C   UNL     1     -18.746  -5.023   0.175  1.00  0.00           C  
HETATM   19  O   UNL     1       2.033   3.621  -0.269  1.00  0.00           O  
HETATM   20  O   UNL     1       3.857   4.229   0.822  1.00  0.00           O  
HETATM   21  C   UNL     1       3.315   3.437   0.087  1.00  0.00           C  
HETATM   22  C   UNL     1       4.076   2.243  -0.428  1.00  0.00           C  
HETATM   23  C   UNL     1       5.503   2.271   0.125  1.00  0.00           C  
HETATM   24  C   UNL     1       6.276   1.059  -0.399  1.00  0.00           C  
HETATM   25  C   UNL     1       7.702   1.087   0.154  1.00  0.00           C  
HETATM   26  C   UNL     1       8.476  -0.125  -0.370  1.00  0.00           C  
HETATM   27  C   UNL     1       9.902  -0.098   0.183  1.00  0.00           C  
HETATM   28  C   UNL     1      10.675  -1.310  -0.340  1.00  0.00           C  
HETATM   29  C   UNL     1      12.102  -1.282   0.213  1.00  0.00           C  
HETATM   30  C   UNL     1      12.875  -2.494  -0.311  1.00  0.00           C  
HETATM   31  C   UNL     1      14.302  -2.467   0.242  1.00  0.00           C  
HETATM   32  C   UNL     1      15.075  -3.678  -0.281  1.00  0.00           C  
HETATM   33  C   UNL     1      16.501  -3.651   0.271  1.00  0.00           C  
HETATM   34  C   UNL     1      17.275  -4.863  -0.252  1.00  0.00           C  
HETATM   35  C   UNL     1      18.701  -4.835   0.301  1.00  0.00           C  
HETATM   36  H   UNL     1      -2.478   1.490   0.102  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.956   2.455   1.520  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.796   3.474   0.206  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.318   2.509  -1.211  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.739   0.426   0.066  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.216   1.391   1.483  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.056   2.410   0.170  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.578   1.445  -1.248  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.998  -0.639   0.029  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.476   0.326   1.447  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.316   1.345   0.133  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.838   0.380  -1.284  1.00  0.00           H  
HETATM   48  H   UNL     1      -9.259  -1.704  -0.007  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.736  -0.738   1.410  1.00  0.00           H  
HETATM   50  H   UNL     1     -11.576   0.280   0.097  1.00  0.00           H  
HETATM   51  H   UNL     1     -11.098  -0.684  -1.321  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.519  -2.768  -0.044  1.00  0.00           H  
HETATM   53  H   UNL     1     -11.996  -1.803   1.374  1.00  0.00           H  
HETATM   54  H   UNL     1     -13.836  -0.784   0.060  1.00  0.00           H  
HETATM   55  H   UNL     1     -13.358  -1.749  -1.357  1.00  0.00           H  
HETATM   56  H   UNL     1     -13.779  -3.833  -0.080  1.00  0.00           H  
HETATM   57  H   UNL     1     -14.256  -2.868   1.337  1.00  0.00           H  
HETATM   58  H   UNL     1     -16.096  -1.849   0.024  1.00  0.00           H  
HETATM   59  H   UNL     1     -15.618  -2.814  -1.394  1.00  0.00           H  
HETATM   60  H   UNL     1     -16.039  -4.897  -0.117  1.00  0.00           H  
HETATM   61  H   UNL     1     -16.516  -3.932   1.301  1.00  0.00           H  
HETATM   62  H   UNL     1     -18.356  -2.913  -0.013  1.00  0.00           H  
HETATM   63  H   UNL     1     -17.878  -3.878  -1.430  1.00  0.00           H  
HETATM   64  H   UNL     1     -19.760  -4.947  -0.219  1.00  0.00           H  
HETATM   65  H   UNL     1     -18.299  -5.962  -0.153  1.00  0.00           H  
HETATM   66  H   UNL     1     -18.776  -4.997   1.264  1.00  0.00           H  
HETATM   67  H   UNL     1       3.579   1.328  -0.106  1.00  0.00           H  
HETATM   68  H   UNL     1       4.108   2.275  -1.517  1.00  0.00           H  
HETATM   69  H   UNL     1       5.999   3.186  -0.198  1.00  0.00           H  
HETATM   70  H   UNL     1       5.471   2.239   1.214  1.00  0.00           H  
HETATM   71  H   UNL     1       5.779   0.144  -0.076  1.00  0.00           H  
HETATM   72  H   UNL     1       6.308   1.091  -1.488  1.00  0.00           H  
HETATM   73  H   UNL     1       8.199   2.002  -0.168  1.00  0.00           H  
HETATM   74  H   UNL     1       7.670   1.055   1.243  1.00  0.00           H  
HETATM   75  H   UNL     1       7.979  -1.040  -0.047  1.00  0.00           H  
HETATM   76  H   UNL     1       8.507  -0.093  -1.459  1.00  0.00           H  
HETATM   77  H   UNL     1      10.399   0.817  -0.139  1.00  0.00           H  
HETATM   78  H   UNL     1       9.870  -0.130   1.273  1.00  0.00           H  
HETATM   79  H   UNL     1      10.178  -2.225  -0.018  1.00  0.00           H  
HETATM   80  H   UNL     1      10.707  -1.278  -1.429  1.00  0.00           H  
HETATM   81  H   UNL     1      12.599  -0.367  -0.109  1.00  0.00           H  
HETATM   82  H   UNL     1      12.070  -1.314   1.302  1.00  0.00           H  
HETATM   83  H   UNL     1      12.378  -3.409   0.012  1.00  0.00           H  
HETATM   84  H   UNL     1      12.907  -2.462  -1.400  1.00  0.00           H  
HETATM   85  H   UNL     1      14.798  -1.551  -0.080  1.00  0.00           H  
HETATM   86  H   UNL     1      14.270  -2.499   1.331  1.00  0.00           H  
HETATM   87  H   UNL     1      14.578  -4.594   0.041  1.00  0.00           H  
HETATM   88  H   UNL     1      15.107  -3.647  -1.370  1.00  0.00           H  
HETATM   89  H   UNL     1      16.998  -2.736  -0.051  1.00  0.00           H  
HETATM   90  H   UNL     1      16.469  -3.683   1.360  1.00  0.00           H  
HETATM   91  H   UNL     1      16.778  -5.778   0.070  1.00  0.00           H  
HETATM   92  H   UNL     1      17.306  -4.831  -1.341  1.00  0.00           H  
HETATM   93  H   UNL     1      19.198  -3.920  -0.022  1.00  0.00           H  
HETATM   94  H   UNL     1      18.669  -4.867   1.390  1.00  0.00           H  
HETATM   95  H   UNL     1      19.252  -5.699  -0.072  1.00  0.00           H  
HETATM   96  C   UNL     1      -0.079   4.833  -0.247  1.00  0.00           C  
HETATM   97  C   UNL     1       1.362   4.792   0.265  1.00  0.00           C  
HETATM   98  H   UNL     1      -0.078   4.791  -1.337  1.00  0.00           H  
HETATM   99  H   UNL     1      -0.556   5.756   0.081  1.00  0.00           H  
HETATM  100  H   UNL     1       1.359   4.744   1.354  1.00  0.00           H  
HETATM  101  H   UNL     1       1.888   5.691  -0.057  1.00  0.00           H  
CONECT    1    3   96                                                 
CONECT    2    3    3                                                 
CONECT    3    4    1    2    2                                       
CONECT    4    3    5   36   37                                       
CONECT    5    4    6   38   39                                       
CONECT    6    5    7   40   41                                       
CONECT    7    6    8   42   43                                       
CONECT    8    7    9   44   45                                       
CONECT    9    8   10   46   47                                       
CONECT   10    9   11   48   49                                       
CONECT   11   10   12   50   51                                       
CONECT   12   11   13   52   53                                       
CONECT   13   12   14   54   55                                       
CONECT   14   13   15   56   57                                       
CONECT   15   14   16   58   59                                       
CONECT   16   15   17   60   61                                       
CONECT   17   16   18   62   63                                       
CONECT   18   17   64   65   66                                       
CONECT   19   21   97                                                 
CONECT   20   21   21                                                 
CONECT   21   22   19   20   20                                       
CONECT   22   21   23   67   68                                       
CONECT   23   22   24   69   70                                       
CONECT   24   25   23   71   72                                       
CONECT   25   24   26   73   74                                       
CONECT   26   25   27   75   76                                       
CONECT   27   28   26   77   78                                       
CONECT   28   27   29   79   80                                       
CONECT   29   28   30   81   82                                       
CONECT   30   29   31   83   84                                       
CONECT   31   30   32   85   86                                       
CONECT   32   31   33   87   88                                       
CONECT   33   32   34   89   90                                       
CONECT   34   33   35   91   92                                       
CONECT   35   34   93   94   95                                       
CONECT   36    4                                                      
CONECT   37    4                                                      
CONECT   38    5                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    6                                                      
CONECT   42    7                                                      
CONECT   43    7                                                      
CONECT   44    8                                                      
CONECT   45    8                                                      
CONECT   46    9                                                      
CONECT   47    9                                                      
CONECT   48   10                                                      
CONECT   49   10                                                      
CONECT   50   11                                                      
CONECT   51   11                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   13                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   17                                                      
CONECT   63   17                                                      
CONECT   64   18                                                      
CONECT   65   18                                                      
CONECT   66   18                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   23                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   25                                                      
CONECT   74   25                                                      
CONECT   75   26                                                      
CONECT   76   26                                                      
CONECT   77   27                                                      
CONECT   78   27                                                      
CONECT   79   28                                                      
CONECT   80   28                                                      
CONECT   81   29                                                      
CONECT   82   29                                                      
CONECT   83   30                                                      
CONECT   84   30                                                      
CONECT   85   31                                                      
CONECT   86   31                                                      
CONECT   87   32                                                      
CONECT   88   32                                                      
CONECT   89   33                                                      
CONECT   90   33                                                      
CONECT   91   34                                                      
CONECT   92   34                                                      
CONECT   93   35                                                      
CONECT   94   35                                                      
CONECT   95   35                                                      
CONECT   96    1   97   98   99                                       
CONECT   97   19   96  100  101                                       
CONECT   98   96                                                      
CONECT   99   96                                                      
CONECT  100   97                                                      
CONECT  101   97                                                      
MASTER        0    0    0    0    0    0    0    0  101    0  101    0
END
