COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      11.517  -0.530  -1.380  1.00  0.00           C  
HETATM    2  O   UNL     1      10.904  -1.643  -0.726  1.00  0.00           O  
HETATM    3  C   UNL     1       9.596  -1.510  -0.377  1.00  0.00           C  
HETATM    4  C   UNL     1       8.922  -0.336  -0.657  1.00  0.00           C  
HETATM    5  C   UNL     1       7.579  -0.200  -0.297  1.00  0.00           C  
HETATM    6  C   UNL     1       6.920  -1.252   0.345  1.00  0.00           C  
HETATM    7  C   UNL     1       7.599  -2.424   0.623  1.00  0.00           C  
HETATM    8  C   UNL     1       8.936  -2.558   0.259  1.00  0.00           C  
HETATM    9  O   UNL     1       9.601  -3.711   0.533  1.00  0.00           O  
HETATM   10  C   UNL     1       9.563  -4.735  -0.464  1.00  0.00           C  
HETATM   11  O   UNL     1       6.959  -3.448   1.249  1.00  0.00           O  
HETATM   12  C   UNL     1       5.586  -3.243   1.589  1.00  0.00           C  
HETATM   13  C   UNL     1       6.857   1.051  -0.595  1.00  0.00           C  
HETATM   14  O   UNL     1       7.431   1.965  -1.153  1.00  0.00           O  
HETATM   15  O   UNL     1       5.562   1.181  -0.247  1.00  0.00           O  
HETATM   16  C   UNL     1       4.915   2.440  -0.571  1.00  0.00           C  
HETATM   17  C   UNL     1       3.459   2.401  -0.104  1.00  0.00           C  
HETATM   18  C   UNL     1       2.778   3.728  -0.445  1.00  0.00           C  
HETATM   19  N   UNL     1       1.380   3.690   0.004  1.00  0.00           N  
HETATM   20  C   UNL     1       1.300   3.624   1.443  1.00  0.00           C  
HETATM   21  C   UNL     1       0.164   2.654   1.830  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.151   3.279   1.707  1.00  0.00           C  
HETATM   23  N   UNL     1      -1.436   3.713   0.320  1.00  0.00           N  
HETATM   24  C   UNL     1      -0.785   4.972   0.054  1.00  0.00           C  
HETATM   25  C   UNL     1       0.598   4.795  -0.599  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.883   3.809   0.085  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.506   2.414   0.166  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.014   2.514  -0.079  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.605   1.190  -0.003  1.00  0.00           O  
HETATM   30  C   UNL     1      -6.936   1.102  -0.196  1.00  0.00           C  
HETATM   31  O   UNL     1      -7.584   2.105  -0.422  1.00  0.00           O  
HETATM   32  C   UNL     1      -7.605  -0.210  -0.134  1.00  0.00           C  
HETATM   33  C   UNL     1      -8.985  -0.303  -0.334  1.00  0.00           C  
HETATM   34  C   UNL     1      -9.610  -1.534  -0.275  1.00  0.00           C  
HETATM   35  C   UNL     1      -8.866  -2.682  -0.016  1.00  0.00           C  
HETATM   36  C   UNL     1      -7.490  -2.593   0.185  1.00  0.00           C  
HETATM   37  C   UNL     1      -6.860  -1.365   0.121  1.00  0.00           C  
HETATM   38  O   UNL     1      -6.767  -3.716   0.439  1.00  0.00           O  
HETATM   39  C   UNL     1      -5.361  -3.551   0.634  1.00  0.00           C  
HETATM   40  O   UNL     1      -9.482  -3.891   0.042  1.00  0.00           O  
HETATM   41  C   UNL     1      -9.585  -4.626  -1.179  1.00  0.00           C  
HETATM   42  O   UNL     1     -10.953  -1.624  -0.469  1.00  0.00           O  
HETATM   43  C   UNL     1     -11.654  -0.407  -0.730  1.00  0.00           C  
HETATM   44  H   UNL     1      10.986  -0.315  -2.308  1.00  0.00           H  
HETATM   45  H   UNL     1      11.475   0.343  -0.728  1.00  0.00           H  
HETATM   46  H   UNL     1      12.557  -0.767  -1.604  1.00  0.00           H  
HETATM   47  H   UNL     1       9.434   0.476  -1.153  1.00  0.00           H  
HETATM   48  H   UNL     1       5.882  -1.150   0.625  1.00  0.00           H  
HETATM   49  H   UNL     1       8.529  -5.029  -0.643  1.00  0.00           H  
HETATM   50  H   UNL     1      10.000  -4.358  -1.388  1.00  0.00           H  
HETATM   51  H   UNL     1      10.132  -5.598  -0.119  1.00  0.00           H  
HETATM   52  H   UNL     1       5.502  -2.390   2.263  1.00  0.00           H  
HETATM   53  H   UNL     1       5.012  -3.049   0.684  1.00  0.00           H  
HETATM   54  H   UNL     1       5.197  -4.134   2.082  1.00  0.00           H  
HETATM   55  H   UNL     1       5.436   3.256  -0.069  1.00  0.00           H  
HETATM   56  H   UNL     1       4.947   2.598  -1.649  1.00  0.00           H  
HETATM   57  H   UNL     1       2.938   1.585  -0.605  1.00  0.00           H  
HETATM   58  H   UNL     1       3.428   2.243   0.975  1.00  0.00           H  
HETATM   59  H   UNL     1       3.299   4.543   0.057  1.00  0.00           H  
HETATM   60  H   UNL     1       2.809   3.885  -1.523  1.00  0.00           H  
HETATM   61  H   UNL     1       2.246   3.259   1.845  1.00  0.00           H  
HETATM   62  H   UNL     1       1.088   4.615   1.844  1.00  0.00           H  
HETATM   63  H   UNL     1       0.205   1.781   1.178  1.00  0.00           H  
HETATM   64  H   UNL     1       0.309   2.332   2.861  1.00  0.00           H  
HETATM   65  H   UNL     1      -1.913   2.564   2.017  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.193   4.147   2.365  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.416   5.562  -0.612  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.663   5.512   0.993  1.00  0.00           H  
HETATM   69  H   UNL     1       1.160   5.723  -0.490  1.00  0.00           H  
HETATM   70  H   UNL     1       0.463   4.592  -1.661  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.332   4.452   0.843  1.00  0.00           H  
HETATM   72  H   UNL     1      -3.064   4.232  -0.903  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.057   1.771  -0.592  1.00  0.00           H  
HETATM   74  H   UNL     1      -3.326   1.992   1.154  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.463   3.157   0.679  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.194   2.936  -1.067  1.00  0.00           H  
HETATM   77  H   UNL     1      -9.563   0.588  -0.535  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.793  -1.296   0.276  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.905  -4.522   0.828  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.918  -3.114  -0.260  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.187  -2.893   1.485  1.00  0.00           H  
HETATM   82  H   UNL     1     -10.097  -5.570  -0.993  1.00  0.00           H  
HETATM   83  H   UNL     1     -10.150  -4.044  -1.907  1.00  0.00           H  
HETATM   84  H   UNL     1      -8.586  -4.825  -1.569  1.00  0.00           H  
HETATM   85  H   UNL     1     -12.714  -0.620  -0.866  1.00  0.00           H  
HETATM   86  H   UNL     1     -11.525   0.274   0.111  1.00  0.00           H  
HETATM   87  H   UNL     1     -11.257   0.054  -1.635  1.00  0.00           H  
CONECT    1    2   44   45   46                                       
CONECT    2    3    1                                                 
CONECT    3    8    2    4    4                                       
CONECT    4    3    3    5   47                                       
CONECT    5    6    6    4   13                                       
CONECT    6    7    5    5   48                                       
CONECT    7   11    8    8    6                                       
CONECT    8    9    7    7    3                                       
CONECT    9   10    8                                                 
CONECT   10    9   49   50   51                                       
CONECT   11    7   12                                                 
CONECT   12   11   52   53   54                                       
CONECT   13    5   15   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   13   16                                                 
CONECT   16   15   17   55   56                                       
CONECT   17   16   18   57   58                                       
CONECT   18   17   19   59   60                                       
CONECT   19   18   20   25                                            
CONECT   20   19   21   61   62                                       
CONECT   21   20   22   63   64                                       
CONECT   22   21   23   65   66                                       
CONECT   23   22   24   26                                            
CONECT   24   25   23   67   68                                       
CONECT   25   19   24   69   70                                       
CONECT   26   23   27   71   72                                       
CONECT   27   26   28   73   74                                       
CONECT   28   27   29   75   76                                       
CONECT   29   30   28                                                 
CONECT   30   32   29   31   31                                       
CONECT   31   30   30                                                 
CONECT   32   33   33   37   30                                       
CONECT   33   34   32   32   77                                       
CONECT   34   42   35   35   33                                       
CONECT   35   40   34   34   36                                       
CONECT   36   35   38   37   37                                       
CONECT   37   36   36   32   78                                       
CONECT   38   36   39                                                 
CONECT   39   38   79   80   81                                       
CONECT   40   41   35                                                 
CONECT   41   40   82   83   84                                       
CONECT   42   43   34                                                 
CONECT   43   42   85   86   87                                       
CONECT   44    1                                                      
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49   10                                                      
CONECT   50   10                                                      
CONECT   51   10                                                      
CONECT   52   12                                                      
CONECT   53   12                                                      
CONECT   54   12                                                      
CONECT   55   16                                                      
CONECT   56   16                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   20                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   21                                                      
CONECT   65   22                                                      
CONECT   66   22                                                      
CONECT   67   24                                                      
CONECT   68   24                                                      
CONECT   69   25                                                      
CONECT   70   25                                                      
CONECT   71   26                                                      
CONECT   72   26                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   28                                                      
CONECT   77   33                                                      
CONECT   78   37                                                      
CONECT   79   39                                                      
CONECT   80   39                                                      
CONECT   81   39                                                      
CONECT   82   41                                                      
CONECT   83   41                                                      
CONECT   84   41                                                      
CONECT   85   43                                                      
CONECT   86   43                                                      
CONECT   87   43                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
