COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.910  -0.082   1.005  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.863  -0.269   2.204  1.00  0.00           O  
HETATM    3  O   UNL     1      -6.087   0.188   0.410  1.00  0.00           O  
HETATM    4  C   UNL     1      -7.260   0.241   1.265  1.00  0.00           C  
HETATM    5  C   UNL     1      -8.475   0.553   0.431  1.00  0.00           C  
HETATM    6  C   UNL     1      -9.213  -0.474  -0.128  1.00  0.00           C  
HETATM    7  C   UNL     1     -10.328  -0.187  -0.893  1.00  0.00           C  
HETATM    8  C   UNL     1     -10.708   1.126  -1.096  1.00  0.00           C  
HETATM    9  C   UNL     1      -9.973   2.153  -0.533  1.00  0.00           C  
HETATM   10  C   UNL     1      -8.859   1.867   0.232  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.378   0.126   0.085  1.00  0.00           C  
HETATM   12  N   UNL     1      -3.782  -0.146   0.269  1.00  0.00           N  
HETATM   13  O   UNL     1      -1.623   0.717  -0.945  1.00  0.00           O  
HETATM   14  C   UNL     1      -3.271  -4.602   0.440  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.789  -4.317   0.490  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.986  -4.461  -1.698  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.501  -0.440   0.915  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.329  -1.955   1.041  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.074  -3.953  -0.258  1.00  0.00           C  
HETATM   20  O   UNL     1      -2.237  -2.534  -0.262  1.00  0.00           O  
HETATM   21  N   UNL     1      -0.100  -0.025   0.488  1.00  0.00           N  
HETATM   22  C   UNL     1       0.992   0.525  -0.319  1.00  0.00           C  
HETATM   23  C   UNL     1       2.257  -0.248  -0.047  1.00  0.00           C  
HETATM   24  O   UNL     1       2.246  -1.168   0.744  1.00  0.00           O  
HETATM   25  C   UNL     1       1.205   1.996   0.045  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.016   2.791  -0.341  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.048   2.956   0.564  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.101   3.360  -1.598  1.00  0.00           C  
HETATM   29  C   UNL     1      -2.168   3.684   0.209  1.00  0.00           C  
HETATM   30  C   UNL     1      -1.220   4.089  -1.952  1.00  0.00           C  
HETATM   31  C   UNL     1      -2.255   4.249  -1.050  1.00  0.00           C  
HETATM   32  O   UNL     1       7.039   3.610   0.770  1.00  0.00           O  
HETATM   33  C   UNL     1       8.180   4.452   0.458  1.00  0.00           C  
HETATM   34  C   UNL     1       8.164   5.687   1.360  1.00  0.00           C  
HETATM   35  N   UNL     1       3.398   0.082  -0.681  1.00  0.00           N  
HETATM   36  C   UNL     1       4.652  -0.592  -0.334  1.00  0.00           C  
HETATM   37  C   UNL     1       4.801  -1.858  -1.181  1.00  0.00           C  
HETATM   38  C   UNL     1       6.040  -2.632  -0.727  1.00  0.00           C  
HETATM   39  C   UNL     1       5.829   0.346  -0.606  1.00  0.00           C  
HETATM   40  C   UNL     1       5.853  -3.152   0.682  1.00  0.00           C  
HETATM   41  O   UNL     1       5.954  -2.483   1.688  1.00  0.00           O  
HETATM   42  N   UNL     1       5.557  -4.463   0.655  1.00  0.00           N  
HETATM   43  C   UNL     1       5.501  -4.969  -0.722  1.00  0.00           C  
HETATM   44  C   UNL     1       6.224  -3.908  -1.581  1.00  0.00           C  
HETATM   45  C   UNL     1       5.746   1.553   0.330  1.00  0.00           C  
HETATM   46  C   UNL     1       6.906   2.477   0.062  1.00  0.00           C  
HETATM   47  O   UNL     1       7.715   2.199  -0.791  1.00  0.00           O  
HETATM   48  H   UNL     1      -7.126   1.018   2.018  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.394  -0.722   1.757  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.916  -1.500   0.031  1.00  0.00           H  
HETATM   51  H   UNL     1     -10.905  -0.989  -1.329  1.00  0.00           H  
HETATM   52  H   UNL     1     -11.579   1.350  -1.694  1.00  0.00           H  
HETATM   53  H   UNL     1     -10.270   3.180  -0.692  1.00  0.00           H  
HETATM   54  H   UNL     1      -8.285   2.669   0.672  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.819   0.004  -0.689  1.00  0.00           H  
HETATM   56  H   UNL     1      -3.146  -5.685   0.444  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.333  -4.240   1.467  1.00  0.00           H  
HETATM   58  H   UNL     1      -4.186  -4.343  -0.092  1.00  0.00           H  
HETATM   59  H   UNL     1      -0.665  -5.400   0.493  1.00  0.00           H  
HETATM   60  H   UNL     1       0.064  -3.855  -0.007  1.00  0.00           H  
HETATM   61  H   UNL     1      -0.851  -3.955   1.516  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.901  -4.202  -2.231  1.00  0.00           H  
HETATM   63  H   UNL     1      -1.134  -3.999  -2.195  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.862  -5.544  -1.695  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.482   0.011   1.908  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.419  -2.172   1.601  1.00  0.00           H  
HETATM   67  H   UNL     1      -3.188  -2.376   1.565  1.00  0.00           H  
HETATM   68  H   UNL     1       0.096  -0.498   1.312  1.00  0.00           H  
HETATM   69  H   UNL     1       0.738   0.446  -1.376  1.00  0.00           H  
HETATM   70  H   UNL     1       1.371   2.083   1.119  1.00  0.00           H  
HETATM   71  H   UNL     1       2.073   2.380  -0.489  1.00  0.00           H  
HETATM   72  H   UNL     1      -0.980   2.515   1.547  1.00  0.00           H  
HETATM   73  H   UNL     1       0.708   3.234  -2.303  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.977   3.809   0.914  1.00  0.00           H  
HETATM   75  H   UNL     1      -1.286   4.534  -2.934  1.00  0.00           H  
HETATM   76  H   UNL     1      -3.130   4.818  -1.327  1.00  0.00           H  
HETATM   77  H   UNL     1       9.101   3.893   0.623  1.00  0.00           H  
HETATM   78  H   UNL     1       8.127   4.764  -0.585  1.00  0.00           H  
HETATM   79  H   UNL     1       7.244   6.247   1.195  1.00  0.00           H  
HETATM   80  H   UNL     1       8.217   5.376   2.404  1.00  0.00           H  
HETATM   81  H   UNL     1       9.021   6.319   1.126  1.00  0.00           H  
HETATM   82  H   UNL     1       3.391   0.767  -1.368  1.00  0.00           H  
HETATM   83  H   UNL     1       4.638  -0.862   0.722  1.00  0.00           H  
HETATM   84  H   UNL     1       3.917  -2.483  -1.059  1.00  0.00           H  
HETATM   85  H   UNL     1       4.909  -1.582  -2.230  1.00  0.00           H  
HETATM   86  H   UNL     1       6.926  -2.000  -0.785  1.00  0.00           H  
HETATM   87  H   UNL     1       6.765  -0.185  -0.433  1.00  0.00           H  
HETATM   88  H   UNL     1       5.791   0.686  -1.641  1.00  0.00           H  
HETATM   89  H   UNL     1       5.401  -5.005   1.444  1.00  0.00           H  
HETATM   90  H   UNL     1       6.016  -5.927  -0.793  1.00  0.00           H  
HETATM   91  H   UNL     1       4.465  -5.072  -1.044  1.00  0.00           H  
HETATM   92  H   UNL     1       5.744  -3.799  -2.553  1.00  0.00           H  
HETATM   93  H   UNL     1       7.280  -4.152  -1.694  1.00  0.00           H  
HETATM   94  H   UNL     1       4.810   2.084   0.156  1.00  0.00           H  
HETATM   95  H   UNL     1       5.784   1.213   1.365  1.00  0.00           H  
CONECT    1    3    2    2   12                                       
CONECT    2    1    1                                                 
CONECT    3    4    1                                                 
CONECT    4    5    3   48   49                                       
CONECT    5    6   10   10    4                                       
CONECT    6    7    7    5   50                                       
CONECT    7    6    6    8   51                                       
CONECT    8    7    9    9   52                                       
CONECT    9   10    8    8   53                                       
CONECT   10    5    5    9   54                                       
CONECT   11   17   21   13   13                                       
CONECT   12    1   17   55                                            
CONECT   13   11   11                                                 
CONECT   14   19   56   57   58                                       
CONECT   15   19   59   60   61                                       
CONECT   16   19   62   63   64                                       
CONECT   17   12   18   11   65                                       
CONECT   18   17   20   66   67                                       
CONECT   19   14   20   16   15                                       
CONECT   20   18   19                                                 
CONECT   21   11   22   68                                            
CONECT   22   21   23   25   69                                       
CONECT   23   22   24   24   35                                       
CONECT   24   23   23                                                 
CONECT   25   22   26   70   71                                       
CONECT   26   25   27   27   28                                       
CONECT   27   29   26   26   72                                       
CONECT   28   30   30   26   73                                       
CONECT   29   31   31   27   74                                       
CONECT   30   31   28   28   75                                       
CONECT   31   29   29   30   76                                       
CONECT   32   33   46                                                 
CONECT   33   34   32   77   78                                       
CONECT   34   33   79   80   81                                       
CONECT   35   23   36   82                                            
CONECT   36   35   37   39   83                                       
CONECT   37   36   38   84   85                                       
CONECT   38   37   40   44   86                                       
CONECT   39   36   45   87   88                                       
CONECT   40   38   41   41   42                                       
CONECT   41   40   40                                                 
CONECT   42   40   43   89                                            
CONECT   43   42   44   90   91                                       
CONECT   44   38   43   92   93                                       
CONECT   45   39   46   94   95                                       
CONECT   46   45   32   47   47                                       
CONECT   47   46   46                                                 
CONECT   48    4                                                      
CONECT   49    4                                                      
CONECT   50    6                                                      
CONECT   51    7                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   12                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   16                                                      
CONECT   65   17                                                      
CONECT   66   18                                                      
CONECT   67   18                                                      
CONECT   68   21                                                      
CONECT   69   22                                                      
CONECT   70   25                                                      
CONECT   71   25                                                      
CONECT   72   27                                                      
CONECT   73   28                                                      
CONECT   74   29                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   33                                                      
CONECT   78   33                                                      
CONECT   79   34                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   37                                                      
CONECT   85   37                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   42                                                      
CONECT   90   43                                                      
CONECT   91   43                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   45                                                      
CONECT   95   45                                                      
MASTER        0    0    0    0    0    0    0    0   95    0   95    0
END
