COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.466   1.215   2.487  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.624   1.411   1.673  1.00  0.00           O  
HETATM    3  C   UNL     1      -4.429   1.079   0.963  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.317  -0.329   0.375  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.466  -1.211   0.867  1.00  0.00           C  
HETATM    6  O   UNL     1      -3.035  -0.921   0.709  1.00  0.00           O  
HETATM    7  C   UNL     1      -2.380  -1.069  -0.566  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.237  -2.029  -0.573  1.00  0.00           C  
HETATM    9  O   UNL     1      -0.486  -1.960  -1.784  1.00  0.00           O  
HETATM   10  C   UNL     1      -1.780  -3.449  -0.404  1.00  0.00           C  
HETATM   11  O   UNL     1      -0.689  -4.366  -0.292  1.00  0.00           O  
HETATM   12  C   UNL     1      -1.089  -5.728  -0.130  1.00  0.00           C  
HETATM   13  O   UNL     1      -3.466  -1.459  -1.458  1.00  0.00           O  
HETATM   14  C   UNL     1      -4.293  -0.274  -1.184  1.00  0.00           C  
HETATM   15  O   UNL     1      -3.384   0.817  -1.508  1.00  0.00           O  
HETATM   16  C   UNL     1      -2.075   0.343  -1.093  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.156   0.301  -2.303  1.00  0.00           C  
HETATM   18  O   UNL     1      -0.648   1.613  -2.552  1.00  0.00           O  
HETATM   19  C   UNL     1       0.013  -0.652  -2.073  1.00  0.00           C  
HETATM   20  O   UNL     1       0.796  -0.187  -0.971  1.00  0.00           O  
HETATM   21  C   UNL     1       1.955  -0.967  -0.717  1.00  0.00           C  
HETATM   22  C   UNL     1       3.211  -0.569  -1.456  1.00  0.00           C  
HETATM   23  O   UNL     1       4.395  -1.019  -0.789  1.00  0.00           O  
HETATM   24  C   UNL     1       3.278   0.891  -1.811  1.00  0.00           C  
HETATM   25  C   UNL     1       4.699   1.441  -1.633  1.00  0.00           C  
HETATM   26  C   UNL     1       2.405  -0.945   0.724  1.00  0.00           C  
HETATM   27  C   UNL     1       2.503  -2.013   1.478  1.00  0.00           C  
HETATM   28  C   UNL     1       2.305  -3.433   1.021  1.00  0.00           C  
HETATM   29  C   UNL     1       3.589  -4.230   1.260  1.00  0.00           C  
HETATM   30  C   UNL     1       1.157  -4.067   1.809  1.00  0.00           C  
HETATM   31  C   UNL     1       2.759  -1.633   2.911  1.00  0.00           C  
HETATM   32  C   UNL     1       2.521  -0.122   3.006  1.00  0.00           C  
HETATM   33  C   UNL     1       2.787   0.267   1.530  1.00  0.00           C  
HETATM   34  C   UNL     1       4.235   0.730   1.407  1.00  0.00           C  
HETATM   35  C   UNL     1       1.777   1.323   1.202  1.00  0.00           C  
HETATM   36  C   UNL     1       1.632   1.945   0.064  1.00  0.00           C  
HETATM   37  C   UNL     1       2.229   1.809  -1.290  1.00  0.00           C  
HETATM   38  C   UNL     1       2.606   3.298  -1.505  1.00  0.00           C  
HETATM   39  C   UNL     1       1.305   4.003  -1.092  1.00  0.00           C  
HETATM   40  C   UNL     1       0.647   3.112  -0.036  1.00  0.00           C  
HETATM   41  O   UNL     1      -0.628   2.642  -0.470  1.00  0.00           O  
HETATM   42  C   UNL     1       0.541   3.865   1.290  1.00  0.00           C  
HETATM   43  O   UNL     1      -0.386   4.944   1.153  1.00  0.00           O  
HETATM   44  C   UNL     1      -0.559   5.716   2.342  1.00  0.00           C  
HETATM   45  H   UNL     1      -4.002   2.096   2.930  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.409   0.302   3.079  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.940   1.870   0.395  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.416  -0.774   0.559  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.369  -2.208   0.438  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.433  -1.278   1.954  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.579  -1.801   0.266  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.391  -3.500   0.496  1.00  0.00           H  
HETATM   53  H   UNL     1      -2.387  -3.711  -1.271  1.00  0.00           H  
HETATM   54  H   UNL     1      -0.204  -6.360  -0.053  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.686  -5.826   0.776  1.00  0.00           H  
HETATM   56  H   UNL     1      -1.681  -6.037  -0.991  1.00  0.00           H  
HETATM   57  H   UNL     1      -5.267  -0.248  -1.671  1.00  0.00           H  
HETATM   58  H   UNL     1      -1.664   0.973  -0.305  1.00  0.00           H  
HETATM   59  H   UNL     1      -1.723  -0.034  -3.172  1.00  0.00           H  
HETATM   60  H   UNL     1      -0.052   1.667  -3.312  1.00  0.00           H  
HETATM   61  H   UNL     1       0.633  -0.689  -2.968  1.00  0.00           H  
HETATM   62  H   UNL     1       1.693  -2.016  -1.006  1.00  0.00           H  
HETATM   63  H   UNL     1       3.204  -1.137  -2.429  1.00  0.00           H  
HETATM   64  H   UNL     1       4.447  -1.979  -0.684  1.00  0.00           H  
HETATM   65  H   UNL     1       3.140   0.908  -2.942  1.00  0.00           H  
HETATM   66  H   UNL     1       5.308   1.159  -2.492  1.00  0.00           H  
HETATM   67  H   UNL     1       4.661   2.528  -1.557  1.00  0.00           H  
HETATM   68  H   UNL     1       5.138   1.028  -0.725  1.00  0.00           H  
HETATM   69  H   UNL     1       2.064  -3.442  -0.043  1.00  0.00           H  
HETATM   70  H   UNL     1       3.829  -4.221   2.323  1.00  0.00           H  
HETATM   71  H   UNL     1       3.445  -5.259   0.929  1.00  0.00           H  
HETATM   72  H   UNL     1       4.407  -3.779   0.698  1.00  0.00           H  
HETATM   73  H   UNL     1       1.397  -4.057   2.872  1.00  0.00           H  
HETATM   74  H   UNL     1       0.242  -3.499   1.638  1.00  0.00           H  
HETATM   75  H   UNL     1       1.013  -5.095   1.478  1.00  0.00           H  
HETATM   76  H   UNL     1       2.061  -2.157   3.561  1.00  0.00           H  
HETATM   77  H   UNL     1       3.784  -1.868   3.182  1.00  0.00           H  
HETATM   78  H   UNL     1       1.497   0.103   3.275  1.00  0.00           H  
HETATM   79  H   UNL     1       3.246   0.355   3.654  1.00  0.00           H  
HETATM   80  H   UNL     1       4.887  -0.138   1.310  1.00  0.00           H  
HETATM   81  H   UNL     1       4.340   1.364   0.526  1.00  0.00           H  
HETATM   82  H   UNL     1       4.513   1.295   2.296  1.00  0.00           H  
HETATM   83  H   UNL     1       1.056   1.557   2.007  1.00  0.00           H  
HETATM   84  H   UNL     1       1.346   1.677  -1.985  1.00  0.00           H  
HETATM   85  H   UNL     1       3.409   3.589  -0.840  1.00  0.00           H  
HETATM   86  H   UNL     1       2.829   3.482  -2.546  1.00  0.00           H  
HETATM   87  H   UNL     1       1.531   4.979  -0.670  1.00  0.00           H  
HETATM   88  H   UNL     1       0.651   4.102  -1.955  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.281   3.343  -0.601  1.00  0.00           H  
HETATM   90  H   UNL     1       0.194   3.184   2.068  1.00  0.00           H  
HETATM   91  H   UNL     1       1.520   4.260   1.563  1.00  0.00           H  
HETATM   92  H   UNL     1      -0.929   5.074   3.142  1.00  0.00           H  
HETATM   93  H   UNL     1       0.396   6.149   2.637  1.00  0.00           H  
HETATM   94  H   UNL     1      -1.278   6.514   2.156  1.00  0.00           H  
CONECT    1    2    3   45   46                                       
CONECT    2    1    3                                                 
CONECT    3    2    1    4   47                                       
CONECT    4    6    5    3   14                                       
CONECT    5    4   48   49   50                                       
CONECT    6    4    7                                                 
CONECT    7    6    8   16   13                                       
CONECT    8   10    7    9   51                                       
CONECT    9    8   19                                                 
CONECT   10    8   11   52   53                                       
CONECT   11   10   12                                                 
CONECT   12   11   54   55   56                                       
CONECT   13    7   14                                                 
CONECT   14    4   13   15   57                                       
CONECT   15   16   14                                                 
CONECT   16    7   15   17   58                                       
CONECT   17   16   19   18   59                                       
CONECT   18   17   60                                                 
CONECT   19   20    9   17   61                                       
CONECT   20   21   19                                                 
CONECT   21   26   22   20   62                                       
CONECT   22   21   24   23   63                                       
CONECT   23   22   64                                                 
CONECT   24   37   22   25   65                                       
CONECT   25   24   66   67   68                                       
CONECT   26   27   27   33   21                                       
CONECT   27   31   28   26   26                                       
CONECT   28   29   30   27   69                                       
CONECT   29   28   70   71   72                                       
CONECT   30   28   73   74   75                                       
CONECT   31   32   27   76   77                                       
CONECT   32   31   33   78   79                                       
CONECT   33   32   35   26   34                                       
CONECT   34   33   80   81   82                                       
CONECT   35   36   36   33   83                                       
CONECT   36   40   35   35   37                                       
CONECT   37   36   38   24   84                                       
CONECT   38   39   37   85   86                                       
CONECT   39   40   38   87   88                                       
CONECT   40   41   42   36   39                                       
CONECT   41   40   89                                                 
CONECT   42   43   40   90   91                                       
CONECT   43   44   42                                                 
CONECT   44   43   92   93   94                                       
CONECT   45    1                                                      
CONECT   46    1                                                      
CONECT   47    3                                                      
CONECT   48    5                                                      
CONECT   49    5                                                      
CONECT   50    5                                                      
CONECT   51    8                                                      
CONECT   52   10                                                      
CONECT   53   10                                                      
CONECT   54   12                                                      
CONECT   55   12                                                      
CONECT   56   12                                                      
CONECT   57   14                                                      
CONECT   58   16                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   21                                                      
CONECT   63   22                                                      
CONECT   64   23                                                      
CONECT   65   24                                                      
CONECT   66   25                                                      
CONECT   67   25                                                      
CONECT   68   25                                                      
CONECT   69   28                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   31                                                      
CONECT   77   31                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   34                                                      
CONECT   81   34                                                      
CONECT   82   34                                                      
CONECT   83   35                                                      
CONECT   84   37                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   41                                                      
CONECT   90   42                                                      
CONECT   91   42                                                      
CONECT   92   44                                                      
CONECT   93   44                                                      
CONECT   94   44                                                      
MASTER        0    0    0    0    0    0    0    0   94    0   94    0
END
