COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       8.587  -1.616   2.128  1.00  0.00           O  
HETATM    2  C   UNL     1       7.987  -1.132   1.192  1.00  0.00           C  
HETATM    3  C   UNL     1       8.690  -0.186   0.253  1.00  0.00           C  
HETATM    4  C   UNL     1      10.142  -0.008   0.701  1.00  0.00           C  
HETATM    5  C   UNL     1      10.856   0.951  -0.253  1.00  0.00           C  
HETATM    6  C   UNL     1      12.309   1.129   0.196  1.00  0.00           C  
HETATM    7  C   UNL     1      13.023   2.089  -0.758  1.00  0.00           C  
HETATM    8  C   UNL     1      14.475   2.267  -0.310  1.00  0.00           C  
HETATM    9  C   UNL     1      15.189   3.227  -1.264  1.00  0.00           C  
HETATM   10  C   UNL     1      16.641   3.404  -0.815  1.00  0.00           C  
HETATM   11  C   UNL     1      17.355   4.364  -1.769  1.00  0.00           C  
HETATM   12  O   UNL     1      18.712   4.530  -1.350  1.00  0.00           O  
HETATM   13  N   UNL     1       6.691  -1.444   0.989  1.00  0.00           N  
HETATM   14  C   UNL     1       6.009  -2.367   1.899  1.00  0.00           C  
HETATM   15  C   UNL     1       4.558  -2.549   1.447  1.00  0.00           C  
HETATM   16  C   UNL     1       3.846  -3.514   2.397  1.00  0.00           C  
HETATM   17  C   UNL     1       2.451  -3.689   1.963  1.00  0.00           C  
HETATM   18  C   UNL     1       1.337  -3.829   1.617  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.020  -3.999   1.194  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.497  -3.352   0.090  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.796  -3.535  -0.287  1.00  0.00           N  
HETATM   22  C   UNL     1      -2.618  -4.340   0.405  1.00  0.00           C  
HETATM   23  O   UNL     1      -3.767  -4.473   0.031  1.00  0.00           O  
HETATM   24  N   UNL     1      -2.207  -5.004   1.500  1.00  0.00           N  
HETATM   25  C   UNL     1      -0.936  -4.880   1.934  1.00  0.00           C  
HETATM   26  O   UNL     1      -0.556  -5.481   2.922  1.00  0.00           O  
HETATM   27  C   UNL     1      -2.303  -2.839  -1.472  1.00  0.00           C  
HETATM   28  O   UNL     1      -3.518  -2.126  -1.154  1.00  0.00           O  
HETATM   29  C   UNL     1      -4.177  -1.913  -2.421  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.978  -3.234  -3.197  1.00  0.00           C  
HETATM   31  O   UNL     1      -3.759  -2.971  -4.584  1.00  0.00           O  
HETATM   32  C   UNL     1      -2.714  -3.857  -2.559  1.00  0.00           C  
HETATM   33  C   UNL     1      -5.668  -1.642  -2.205  1.00  0.00           C  
HETATM   34  O   UNL     1      -5.835  -0.363  -1.591  1.00  0.00           O  
HETATM   35  P   UNL     1      -7.277   0.248  -1.217  1.00  0.00           P  
HETATM   36  O   UNL     1      -8.114   0.512  -2.567  1.00  0.00           O  
HETATM   37  O   UNL     1      -8.012  -0.709  -0.360  1.00  0.00           O  
HETATM   38  O   UNL     1      -7.083   1.637  -0.426  1.00  0.00           O  
HETATM   39  P   UNL     1      -8.022   2.511   0.547  1.00  0.00           P  
HETATM   40  O   UNL     1      -9.408   2.506   0.028  1.00  0.00           O  
HETATM   41  O   UNL     1      -8.000   1.877   2.026  1.00  0.00           O  
HETATM   42  O   UNL     1      -7.475   4.024   0.603  1.00  0.00           O  
HETATM   43  P   UNL     1      -8.097   5.420   1.112  1.00  0.00           P  
HETATM   44  O   UNL     1      -9.523   5.496   0.723  1.00  0.00           O  
HETATM   45  O   UNL     1      -7.972   5.510   2.714  1.00  0.00           O  
HETATM   46  O   UNL     1      -7.292   6.642   0.441  1.00  0.00           O  
HETATM   47  H   UNL     1       8.669  -0.595  -0.757  1.00  0.00           H  
HETATM   48  H   UNL     1       8.186   0.780   0.264  1.00  0.00           H  
HETATM   49  H   UNL     1      10.163   0.400   1.711  1.00  0.00           H  
HETATM   50  H   UNL     1      10.647  -0.975   0.689  1.00  0.00           H  
HETATM   51  H   UNL     1      10.835   0.543  -1.263  1.00  0.00           H  
HETATM   52  H   UNL     1      10.352   1.918  -0.241  1.00  0.00           H  
HETATM   53  H   UNL     1      12.330   1.538   1.206  1.00  0.00           H  
HETATM   54  H   UNL     1      12.813   0.163   0.184  1.00  0.00           H  
HETATM   55  H   UNL     1      13.002   1.680  -1.768  1.00  0.00           H  
HETATM   56  H   UNL     1      12.518   3.055  -0.747  1.00  0.00           H  
HETATM   57  H   UNL     1      14.496   2.675   0.700  1.00  0.00           H  
HETATM   58  H   UNL     1      14.979   1.301  -0.322  1.00  0.00           H  
HETATM   59  H   UNL     1      15.168   2.818  -2.274  1.00  0.00           H  
HETATM   60  H   UNL     1      14.684   4.193  -1.252  1.00  0.00           H  
HETATM   61  H   UNL     1      16.662   3.813   0.195  1.00  0.00           H  
HETATM   62  H   UNL     1      17.146   2.438  -0.827  1.00  0.00           H  
HETATM   63  H   UNL     1      17.334   3.955  -2.779  1.00  0.00           H  
HETATM   64  H   UNL     1      16.851   5.330  -1.757  1.00  0.00           H  
HETATM   65  H   UNL     1      19.226   5.127  -1.911  1.00  0.00           H  
HETATM   66  H   UNL     1       6.211  -1.056   0.241  1.00  0.00           H  
HETATM   67  H   UNL     1       6.517  -3.332   1.886  1.00  0.00           H  
HETATM   68  H   UNL     1       6.027  -1.961   2.910  1.00  0.00           H  
HETATM   69  H   UNL     1       4.050  -1.585   1.460  1.00  0.00           H  
HETATM   70  H   UNL     1       4.541  -2.956   0.436  1.00  0.00           H  
HETATM   71  H   UNL     1       4.354  -4.478   2.384  1.00  0.00           H  
HETATM   72  H   UNL     1       3.864  -3.108   3.408  1.00  0.00           H  
HETATM   73  H   UNL     1       0.149  -2.700  -0.480  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.827  -5.578   1.977  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.551  -2.153  -1.860  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.714  -1.084  -2.957  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.838  -3.889  -3.062  1.00  0.00           H  
HETATM   78  H   UNL     1      -3.627  -3.766  -5.119  1.00  0.00           H  
HETATM   79  H   UNL     1      -1.924  -3.965  -3.303  1.00  0.00           H  
HETATM   80  H   UNL     1      -2.949  -4.821  -2.109  1.00  0.00           H  
HETATM   81  H   UNL     1      -6.182  -1.654  -3.166  1.00  0.00           H  
HETATM   82  H   UNL     1      -6.087  -2.413  -1.559  1.00  0.00           H  
HETATM   83  H   UNL     1      -7.692   1.132  -3.177  1.00  0.00           H  
HETATM   84  H   UNL     1      -7.121   1.848   2.429  1.00  0.00           H  
HETATM   85  H   UNL     1      -7.063   5.466   3.041  1.00  0.00           H  
HETATM   86  H   UNL     1      -7.613   7.516   0.703  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   13    3                                       
CONECT    3    2    4   47   48                                       
CONECT    4    3    5   49   50                                       
CONECT    5    4    6   51   52                                       
CONECT    6    5    7   53   54                                       
CONECT    7    8    6   55   56                                       
CONECT    8    9    7   57   58                                       
CONECT    9   10    8   59   60                                       
CONECT   10   11    9   61   62                                       
CONECT   11   12   10   63   64                                       
CONECT   12   11   65                                                 
CONECT   13   14    2   66                                            
CONECT   14   15   13   67   68                                       
CONECT   15   16   14   69   70                                       
CONECT   16   17   15   71   72                                       
CONECT   17   16   18   18   18                                       
CONECT   18   17   17   17   19                                       
CONECT   19   20   20   18   25                                       
CONECT   20   21   19   19   73                                       
CONECT   21   27   20   22                                            
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   74                                            
CONECT   25   19   24   26   26                                       
CONECT   26   25   25                                                 
CONECT   27   28   32   21   75                                       
CONECT   28   29   27                                                 
CONECT   29   33   30   28   76                                       
CONECT   30   31   29   32   77                                       
CONECT   31   30   78                                                 
CONECT   32   30   27   79   80                                       
CONECT   33   34   29   81   82                                       
CONECT   34   35   33                                                 
CONECT   35   37   37   38   34                                       
CONECT   35   36                                                      
CONECT   36   35   83                                                 
CONECT   37   35   35                                                 
CONECT   38   39   35                                                 
CONECT   39   40   40   42   41                                       
CONECT   39   38                                                      
CONECT   40   39   39                                                 
CONECT   41   39   84                                                 
CONECT   42   43   39                                                 
CONECT   43   44   44   46   45                                       
CONECT   43   42                                                      
CONECT   44   43   43                                                 
CONECT   45   43   85                                                 
CONECT   46   43   86                                                 
CONECT   47    3                                                      
CONECT   48    3                                                      
CONECT   49    4                                                      
CONECT   50    4                                                      
CONECT   51    5                                                      
CONECT   52    5                                                      
CONECT   53    6                                                      
CONECT   54    6                                                      
CONECT   55    7                                                      
CONECT   56    7                                                      
CONECT   57    8                                                      
CONECT   58    8                                                      
CONECT   59    9                                                      
CONECT   60    9                                                      
CONECT   61   10                                                      
CONECT   62   10                                                      
CONECT   63   11                                                      
CONECT   64   11                                                      
CONECT   65   12                                                      
CONECT   66   13                                                      
CONECT   67   14                                                      
CONECT   68   14                                                      
CONECT   69   15                                                      
CONECT   70   15                                                      
CONECT   71   16                                                      
CONECT   72   16                                                      
CONECT   73   20                                                      
CONECT   74   24                                                      
CONECT   75   27                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   31                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   36                                                      
CONECT   84   41                                                      
CONECT   85   45                                                      
CONECT   86   46                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
