COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.574  -1.220  -0.747  1.00  0.00           C  
HETATM    2  C   UNL     1       6.710  -0.005  -0.398  1.00  0.00           C  
HETATM    3  C   UNL     1       5.259  -0.460  -0.210  1.00  0.00           C  
HETATM    4  C   UNL     1       5.208  -1.540   0.874  1.00  0.00           C  
HETATM    5  C   UNL     1       3.771  -2.043   1.026  1.00  0.00           C  
HETATM    6  C   UNL     1       7.433  -2.271   0.358  1.00  0.00           C  
HETATM    7  O   UNL     1       8.193  -3.431   0.012  1.00  0.00           O  
HETATM    8  O   UNL     1       8.941  -0.820  -0.854  1.00  0.00           O  
HETATM    9  O   UNL     1       6.777   0.950  -1.459  1.00  0.00           O  
HETATM   10  O   UNL     1       4.457   0.653   0.187  1.00  0.00           O  
HETATM   11  O   UNL     1       6.057  -2.628   0.502  1.00  0.00           O  
HETATM   12  O   UNL     1       3.706  -2.979   2.104  1.00  0.00           O  
HETATM   13  C   UNL     1       3.976   1.441  -0.904  1.00  0.00           C  
HETATM   14  C   UNL     1       3.402   2.757  -0.370  1.00  0.00           C  
HETATM   15  C   UNL     1       2.211   2.451   0.543  1.00  0.00           C  
HETATM   16  C   UNL     1       1.175   1.641  -0.242  1.00  0.00           C  
HETATM   17  C   UNL     1       1.834   0.369  -0.780  1.00  0.00           C  
HETATM   18  C   UNL     1       0.822  -0.416  -1.616  1.00  0.00           C  
HETATM   19  O   UNL     1       4.408   3.450   0.371  1.00  0.00           O  
HETATM   20  O   UNL     1       1.623   3.676   0.988  1.00  0.00           O  
HETATM   21  O   UNL     1       0.091   1.288   0.621  1.00  0.00           O  
HETATM   22  O   UNL     1       2.953   0.723  -1.597  1.00  0.00           O  
HETATM   23  O   UNL     1       1.407  -1.650  -2.039  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.914   2.297   0.734  1.00  0.00           C  
HETATM   25  O   UNL     1      -1.091   1.840   3.102  1.00  0.00           O  
HETATM   26  C   UNL     1      -1.850   1.958   1.897  1.00  0.00           C  
HETATM   27  C   UNL     1      -7.958  -1.676  -0.310  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.555   0.630   1.604  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.485   0.341   2.649  1.00  0.00           O  
HETATM   30  C   UNL     1      -3.301   0.744   0.271  1.00  0.00           C  
HETATM   31  N   UNL     1      -3.920  -0.548  -0.057  1.00  0.00           N  
HETATM   32  C   UNL     1      -2.309   1.130  -0.829  1.00  0.00           C  
HETATM   33  O   UNL     1      -1.667   2.358  -0.479  1.00  0.00           O  
HETATM   34  C   UNL     1      -3.057   1.305  -2.152  1.00  0.00           C  
HETATM   35  C   UNL     1      -5.286  -0.628   0.476  1.00  0.00           C  
HETATM   36  C   UNL     1      -5.690  -2.097   0.617  1.00  0.00           C  
HETATM   37  O   UNL     1      -5.419  -2.789  -0.603  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.192  -2.159   0.923  1.00  0.00           C  
HETATM   39  O   UNL     1      -7.492  -1.314   2.036  1.00  0.00           O  
HETATM   40  O   UNL     1      -7.851  -2.654  -1.347  1.00  0.00           O  
HETATM   41  C   UNL     1      -7.390  -0.374  -0.794  1.00  0.00           C  
HETATM   42  C   UNL     1      -6.226   0.080  -0.455  1.00  0.00           C  
HETATM   43  C   UNL     1      -8.227   0.457  -1.732  1.00  0.00           C  
HETATM   44  O   UNL     1      -7.518   1.649  -2.075  1.00  0.00           O  
HETATM   45  H   UNL     1       7.242  -1.643  -1.696  1.00  0.00           H  
HETATM   46  H   UNL     1       7.072   0.448   0.525  1.00  0.00           H  
HETATM   47  H   UNL     1       4.881  -0.868  -1.148  1.00  0.00           H  
HETATM   48  H   UNL     1       5.549  -1.120   1.821  1.00  0.00           H  
HETATM   49  H   UNL     1       3.112  -1.201   1.236  1.00  0.00           H  
HETATM   50  H   UNL     1       3.457  -2.529   0.102  1.00  0.00           H  
HETATM   51  H   UNL     1       7.803  -1.861   1.298  1.00  0.00           H  
HETATM   52  H   UNL     1       8.149  -4.140   0.669  1.00  0.00           H  
HETATM   53  H   UNL     1       9.547  -1.542  -1.069  1.00  0.00           H  
HETATM   54  H   UNL     1       7.669   1.277  -1.638  1.00  0.00           H  
HETATM   55  H   UNL     1       2.822  -3.340   2.258  1.00  0.00           H  
HETATM   56  H   UNL     1       4.797   1.655  -1.589  1.00  0.00           H  
HETATM   57  H   UNL     1       3.072   3.375  -1.204  1.00  0.00           H  
HETATM   58  H   UNL     1       2.550   1.874   1.404  1.00  0.00           H  
HETATM   59  H   UNL     1       0.799   2.238  -1.073  1.00  0.00           H  
HETATM   60  H   UNL     1       2.173  -0.246   0.053  1.00  0.00           H  
HETATM   61  H   UNL     1       0.539   0.170  -2.490  1.00  0.00           H  
HETATM   62  H   UNL     1      -0.064  -0.622  -1.015  1.00  0.00           H  
HETATM   63  H   UNL     1       5.195   3.672  -0.146  1.00  0.00           H  
HETATM   64  H   UNL     1       2.227   4.243   1.487  1.00  0.00           H  
HETATM   65  H   UNL     1       0.820  -2.200  -2.574  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.442   3.263   0.917  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.614   2.644   3.346  1.00  0.00           H  
HETATM   68  H   UNL     1      -2.592   2.748   2.010  1.00  0.00           H  
HETATM   69  H   UNL     1      -9.008  -1.539  -0.053  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.816  -0.169   1.541  1.00  0.00           H  
HETATM   71  H   UNL     1      -3.081   0.262   3.524  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.074   1.508   0.350  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.911  -0.710  -1.053  1.00  0.00           H  
HETATM   74  H   UNL     1      -1.561   0.345  -0.936  1.00  0.00           H  
HETATM   75  H   UNL     1      -2.370   1.677  -2.912  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.464   0.344  -2.470  1.00  0.00           H  
HETATM   77  H   UNL     1      -3.872   2.017  -2.019  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.319  -0.148   1.455  1.00  0.00           H  
HETATM   79  H   UNL     1      -5.131  -2.554   1.433  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.652  -3.727  -0.583  1.00  0.00           H  
HETATM   81  H   UNL     1      -7.476  -3.186   1.156  1.00  0.00           H  
HETATM   82  H   UNL     1      -8.426  -1.307   2.284  1.00  0.00           H  
HETATM   83  H   UNL     1      -8.314  -2.415  -2.162  1.00  0.00           H  
HETATM   84  H   UNL     1      -5.912   1.027  -0.869  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.436  -0.115  -2.636  1.00  0.00           H  
HETATM   86  H   UNL     1      -9.166   0.720  -1.244  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.998   2.233  -2.677  1.00  0.00           H  
CONECT    1    8    6    2   45                                       
CONECT    2    1    9    3   46                                       
CONECT    3    2    4   10   47                                       
CONECT    4   11    3    5   48                                       
CONECT    5    4   12   49   50                                       
CONECT    6    7    1   11   51                                       
CONECT    7    6   52                                                 
CONECT    8    1   53                                                 
CONECT    9    2   54                                                 
CONECT   10    3   13                                                 
CONECT   11    6    4                                                 
CONECT   12    5   55                                                 
CONECT   13   10   22   14   56                                       
CONECT   14   19   13   15   57                                       
CONECT   15   14   16   20   58                                       
CONECT   16   17   15   21   59                                       
CONECT   17   18   22   16   60                                       
CONECT   18   23   17   62   61                                       
CONECT   19   14   63                                                 
CONECT   20   15   64                                                 
CONECT   21   16   24                                                 
CONECT   22   17   13                                                 
CONECT   23   18   65                                                 
CONECT   24   21   33   26   66                                       
CONECT   25   26   67                                                 
CONECT   26   24   25   28   68                                       
CONECT   27   38   40   41   69                                       
CONECT   28   26   30   29   70                                       
CONECT   29   28   71                                                 
CONECT   30   32   28   31   72                                       
CONECT   31   30   35   73                                            
CONECT   32   33   34   30   74                                       
CONECT   33   24   32                                                 
CONECT   34   32   77   75   76                                       
CONECT   35   31   36   42   78                                       
CONECT   36   37   35   38   79                                       
CONECT   37   36   80                                                 
CONECT   38   36   39   27   81                                       
CONECT   39   38   82                                                 
CONECT   40   27   83                                                 
CONECT   41   42   42   27   43                                       
CONECT   42   35   41   41   84                                       
CONECT   43   41   44   85   86                                       
CONECT   44   43   87                                                 
CONECT   45    1                                                      
CONECT   46    2                                                      
CONECT   47    3                                                      
CONECT   48    4                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    6                                                      
CONECT   52    7                                                      
CONECT   53    8                                                      
CONECT   54    9                                                      
CONECT   55   12                                                      
CONECT   56   13                                                      
CONECT   57   14                                                      
CONECT   58   15                                                      
CONECT   59   16                                                      
CONECT   60   17                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   23                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
CONECT   73   31                                                      
CONECT   74   32                                                      
CONECT   75   34                                                      
CONECT   76   34                                                      
CONECT   77   34                                                      
CONECT   78   35                                                      
CONECT   79   36                                                      
CONECT   80   37                                                      
CONECT   81   38                                                      
CONECT   82   39                                                      
CONECT   83   40                                                      
CONECT   84   42                                                      
CONECT   85   43                                                      
CONECT   86   43                                                      
CONECT   87   44                                                      
MASTER        0    0    0    0    0    0    0    0   87    0   87    0
END
