COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.424  -2.427   0.878  1.00  0.00           C  
HETATM    2  O   UNL     1      -8.464  -3.046   1.638  1.00  0.00           O  
HETATM    3  C   UNL     1      -7.729  -2.575  -0.613  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.547  -2.055  -1.438  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.297  -0.609  -1.057  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.270  -0.298   0.388  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.337   0.521   0.916  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.319   1.126   0.054  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.398   1.935   0.576  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.353   2.268   2.061  1.00  0.00           C  
HETATM   11  C   UNL     1      -7.340  -0.942   1.246  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.948   2.055   2.620  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.877   2.720   1.740  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.982   2.116   0.359  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.328   2.577  -0.255  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.183   2.077  -1.694  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.709   2.435  -2.035  1.00  0.00           C  
HETATM   18  O   UNL     1      -5.384  -2.835  -1.157  1.00  0.00           O  
HETATM   19  C   UNL     1      -6.112   0.335  -1.979  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.000   0.590   0.475  1.00  0.00           C  
HETATM   21  C   UNL     1       0.039   2.528  -0.690  1.00  0.00           C  
HETATM   22  C   UNL     1       1.224   1.560  -0.687  1.00  0.00           C  
HETATM   23  C   UNL     1       1.890   1.574   0.691  1.00  0.00           C  
HETATM   24  C   UNL     1       2.238   1.993  -1.748  1.00  0.00           C  
HETATM   25  C   UNL     1       3.319   0.997  -1.828  1.00  0.00           C  
HETATM   26  C   UNL     1       4.181   0.203  -1.892  1.00  0.00           C  
HETATM   27  C   UNL     1       5.262  -0.794  -1.973  1.00  0.00           C  
HETATM   28  O   UNL     1       4.714  -2.064  -2.328  1.00  0.00           O  
HETATM   29  C   UNL     1       5.959  -0.901  -0.615  1.00  0.00           C  
HETATM   30  C   UNL     1       6.546   0.460  -0.234  1.00  0.00           C  
HETATM   31  C   UNL     1       4.945  -1.333   0.446  1.00  0.00           C  
HETATM   32  C   UNL     1       5.641  -1.440   1.804  1.00  0.00           C  
HETATM   33  C   UNL     1       6.229  -0.080   2.185  1.00  0.00           C  
HETATM   34  C   UNL     1       7.243   0.353   1.124  1.00  0.00           C  
HETATM   35  C   UNL     1       8.366  -0.683   1.040  1.00  0.00           C  
HETATM   36  C   UNL     1       6.765  -2.476   1.721  1.00  0.00           C  
HETATM   37  C   UNL     1       7.779  -2.043   0.660  1.00  0.00           C  
HETATM   38  C   UNL     1       7.082  -1.936  -0.698  1.00  0.00           C  
HETATM   39  H   UNL     1      -6.474  -2.911   1.102  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.334  -2.996   2.595  1.00  0.00           H  
HETATM   41  H   UNL     1      -7.899  -3.626  -0.846  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.623  -2.001  -0.859  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.785  -2.118  -2.500  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.341   0.732   1.976  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.315   0.916  -1.005  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.642   3.309   2.204  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.053   1.625   2.595  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.300  -0.462   1.058  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.077  -0.839   2.299  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.897   2.479   3.623  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.747   0.986   2.678  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.054   3.794   1.688  1.00  0.00           H  
HETATM   53  H   UNL     1       0.113   2.528   2.154  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.415   3.664  -0.223  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.341   1.000  -1.746  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.871   2.602  -2.357  1.00  0.00           H  
HETATM   57  H   UNL     1      -0.270   1.658  -2.661  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.665   3.397  -2.546  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.597  -2.559  -1.647  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.138   0.078  -3.028  1.00  0.00           H  
HETATM   61  H   UNL     1      -5.936   1.357  -1.678  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.060   0.248   0.908  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.827   0.284   1.115  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.125   0.152  -0.515  1.00  0.00           H  
HETATM   65  H   UNL     1       0.380   3.547  -0.506  1.00  0.00           H  
HETATM   66  H   UNL     1       0.872   0.553  -0.910  1.00  0.00           H  
HETATM   67  H   UNL     1       1.168   1.265   1.446  1.00  0.00           H  
HETATM   68  H   UNL     1       2.734   0.884   0.693  1.00  0.00           H  
HETATM   69  H   UNL     1       2.243   2.580   0.914  1.00  0.00           H  
HETATM   70  H   UNL     1       1.742   2.069  -2.715  1.00  0.00           H  
HETATM   71  H   UNL     1       2.657   2.962  -1.477  1.00  0.00           H  
HETATM   72  H   UNL     1       5.985  -0.485  -2.728  1.00  0.00           H  
HETATM   73  H   UNL     1       4.061  -2.401  -1.699  1.00  0.00           H  
HETATM   74  H   UNL     1       7.269   0.768  -0.990  1.00  0.00           H  
HETATM   75  H   UNL     1       5.746   1.197  -0.175  1.00  0.00           H  
HETATM   76  H   UNL     1       4.144  -0.596   0.506  1.00  0.00           H  
HETATM   77  H   UNL     1       4.526  -2.302   0.175  1.00  0.00           H  
HETATM   78  H   UNL     1       4.919  -1.748   2.560  1.00  0.00           H  
HETATM   79  H   UNL     1       5.429   0.658   2.244  1.00  0.00           H  
HETATM   80  H   UNL     1       6.725  -0.156   3.152  1.00  0.00           H  
HETATM   81  H   UNL     1       7.661   1.322   1.395  1.00  0.00           H  
HETATM   82  H   UNL     1       9.089  -0.374   0.285  1.00  0.00           H  
HETATM   83  H   UNL     1       8.863  -0.759   2.008  1.00  0.00           H  
HETATM   84  H   UNL     1       7.261  -2.552   2.688  1.00  0.00           H  
HETATM   85  H   UNL     1       6.346  -3.445   1.449  1.00  0.00           H  
HETATM   86  H   UNL     1       8.580  -2.780   0.600  1.00  0.00           H  
HETATM   87  H   UNL     1       6.664  -2.905  -0.969  1.00  0.00           H  
HETATM   88  H   UNL     1       7.805  -1.628  -1.454  1.00  0.00           H  
CONECT    1    3    2   11   39                                       
CONECT    2    1   40                                                 
CONECT    3    4    1   41   42                                       
CONECT    4   18    3    5   43                                       
CONECT    5    4   19   19    6                                       
CONECT    6    5   11    7    7                                       
CONECT    7    6    6    8   44                                       
CONECT    8    7    9    9   45                                       
CONECT    9    8    8   10   15                                       
CONECT   10    9   12   46   47                                       
CONECT   11    1    6   48   49                                       
CONECT   12   10   13   50   51                                       
CONECT   13   12   14   52   53                                       
CONECT   14   20   15   21   13                                       
CONECT   15    9   16   14   54                                       
CONECT   16   15   17   55   56                                       
CONECT   17   16   21   57   58                                       
CONECT   18    4   59                                                 
CONECT   19    5    5   60   61                                       
CONECT   20   14   62   63   64                                       
CONECT   21   17   14   22   65                                       
CONECT   22   21   24   23   66                                       
CONECT   23   22   67   68   69                                       
CONECT   24   22   25   70   71                                       
CONECT   25   24   26   26   26                                       
CONECT   26   25   25   25   27                                       
CONECT   27   28   29   26   72                                       
CONECT   28   27   73                                                 
CONECT   29   30   31   27   38                                       
CONECT   30   34   29   74   75                                       
CONECT   31   32   29   76   77                                       
CONECT   32   33   31   36   78                                       
CONECT   33   34   32   79   80                                       
CONECT   34   33   30   35   81                                       
CONECT   35   34   37   82   83                                       
CONECT   36   32   37   84   85                                       
CONECT   37   35   36   38   86                                       
CONECT   38   29   37   87   88                                       
CONECT   39    1                                                      
CONECT   40    2                                                      
CONECT   41    3                                                      
CONECT   42    3                                                      
CONECT   43    4                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46   10                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   12                                                      
CONECT   52   13                                                      
CONECT   53   13                                                      
CONECT   54   15                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   19                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   23                                                      
CONECT   68   23                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   35                                                      
CONECT   84   36                                                      
CONECT   85   36                                                      
CONECT   86   37                                                      
CONECT   87   38                                                      
CONECT   88   38                                                      
MASTER        0    0    0    0    0    0    0    0   88    0   88    0
END
