COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -2.258   2.876   0.748  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.454   2.588  -0.123  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.013   1.838   1.101  1.00  0.00           C  
HETATM    4  C   UNL     1      -6.203   3.712  -0.479  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.407   1.354  -0.704  1.00  0.00           C  
HETATM    6  O   UNL     1      -1.359  -4.684  -0.061  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.207  -3.482  -0.140  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.328  -2.638  -0.259  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.575  -3.173  -0.288  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.748  -2.312  -0.410  1.00  0.00           C  
HETATM   11  C   UNL     1      -6.128  -2.920  -0.426  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.606  -0.987  -0.509  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.828  -0.114  -0.633  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.594  -0.487  -1.904  1.00  0.00           C  
HETATM   15  C   UNL     1       0.180  -2.894  -0.111  1.00  0.00           C  
HETATM   16  C   UNL     1       0.794  -3.104   1.275  1.00  0.00           C  
HETATM   17  C   UNL     1       0.105  -1.396  -0.414  1.00  0.00           C  
HETATM   18  C   UNL     1       0.456  -0.603   0.847  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.777  -0.507   1.748  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.147  -1.882   2.242  1.00  0.00           C  
HETATM   21  O   UNL     1      -1.203  -2.102   3.428  1.00  0.00           O  
HETATM   22  C   UNL     1       0.912   0.804   0.454  1.00  0.00           C  
HETATM   23  O   UNL     1       2.251   1.014   0.906  1.00  0.00           O  
HETATM   24  C   UNL     1       3.247   0.745  -0.084  1.00  0.00           C  
HETATM   25  O   UNL     1       3.243  -0.649  -0.398  1.00  0.00           O  
HETATM   26  C   UNL     1       4.189  -1.024  -1.401  1.00  0.00           C  
HETATM   27  C   UNL     1       4.075  -2.525  -1.674  1.00  0.00           C  
HETATM   28  C   UNL     1       5.603  -0.699  -0.914  1.00  0.00           C  
HETATM   29  O   UNL     1       6.547  -1.019  -1.938  1.00  0.00           O  
HETATM   30  C   UNL     1       5.691   0.795  -0.585  1.00  0.00           C  
HETATM   31  N   UNL     1       7.022   1.102  -0.046  1.00  0.00           N  
HETATM   32  C   UNL     1       7.401   0.140   0.999  1.00  0.00           C  
HETATM   33  C   UNL     1       8.028   1.141  -1.115  1.00  0.00           C  
HETATM   34  C   UNL     1       4.623   1.141   0.457  1.00  0.00           C  
HETATM   35  O   UNL     1       4.648   2.546   0.717  1.00  0.00           O  
HETATM   36  C   UNL     1       0.824   2.993   1.656  1.00  0.00           C  
HETATM   37  C   UNL     1      -0.990   2.374   0.053  1.00  0.00           C  
HETATM   38  O   UNL     1      -0.380   3.452  -0.660  1.00  0.00           O  
HETATM   39  O   UNL     1      -3.663   3.261  -1.104  1.00  0.00           O  
HETATM   40  O   UNL     1      -4.287   1.584   0.191  1.00  0.00           O  
HETATM   41  C   UNL     1      -6.582   2.242  -0.288  1.00  0.00           C  
HETATM   42  H   UNL     1      -2.180   3.951   0.914  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.374   2.368   1.705  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.570   1.370   1.912  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.334   3.947   0.136  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.965   3.892  -1.528  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.040   4.345  -0.183  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.112   1.598  -1.724  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.195  -1.569  -0.325  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.700  -4.246  -0.219  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.147  -3.796   0.223  1.00  0.00           H  
HETATM   52  H   UNL     1      -6.852  -2.188  -0.069  1.00  0.00           H  
HETATM   53  H   UNL     1      -6.382  -3.217  -1.444  1.00  0.00           H  
HETATM   54  H   UNL     1      -3.622  -0.544  -0.503  1.00  0.00           H  
HETATM   55  H   UNL     1      -6.471  -0.266   0.235  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.992  -1.497  -1.806  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.415   0.215  -2.052  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.920  -0.443  -2.760  1.00  0.00           H  
HETATM   59  H   UNL     1       0.799  -3.386  -0.861  1.00  0.00           H  
HETATM   60  H   UNL     1       0.376  -4.004   1.724  1.00  0.00           H  
HETATM   61  H   UNL     1       1.874  -3.212   1.181  1.00  0.00           H  
HETATM   62  H   UNL     1       0.568  -2.244   1.906  1.00  0.00           H  
HETATM   63  H   UNL     1       0.812  -1.150  -1.206  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.904  -1.140  -0.735  1.00  0.00           H  
HETATM   65  H   UNL     1       1.259  -1.109   1.383  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.556   0.138   2.599  1.00  0.00           H  
HETATM   67  H   UNL     1      -1.609  -0.088   1.181  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.362  -2.670   1.535  1.00  0.00           H  
HETATM   69  H   UNL     1       0.873   0.909  -0.630  1.00  0.00           H  
HETATM   70  H   UNL     1       3.030   1.321  -0.983  1.00  0.00           H  
HETATM   71  H   UNL     1       3.984  -0.471  -2.318  1.00  0.00           H  
HETATM   72  H   UNL     1       3.068  -2.756  -2.020  1.00  0.00           H  
HETATM   73  H   UNL     1       4.797  -2.810  -2.440  1.00  0.00           H  
HETATM   74  H   UNL     1       4.280  -3.077  -0.757  1.00  0.00           H  
HETATM   75  H   UNL     1       5.823  -1.282  -0.019  1.00  0.00           H  
HETATM   76  H   UNL     1       6.546  -1.951  -2.196  1.00  0.00           H  
HETATM   77  H   UNL     1       5.520   1.378  -1.490  1.00  0.00           H  
HETATM   78  H   UNL     1       7.522  -0.848   0.556  1.00  0.00           H  
HETATM   79  H   UNL     1       8.342   0.451   1.454  1.00  0.00           H  
HETATM   80  H   UNL     1       6.622   0.105   1.760  1.00  0.00           H  
HETATM   81  H   UNL     1       7.759   1.910  -1.840  1.00  0.00           H  
HETATM   82  H   UNL     1       9.005   1.370  -0.688  1.00  0.00           H  
HETATM   83  H   UNL     1       8.068   0.171  -1.613  1.00  0.00           H  
HETATM   84  H   UNL     1       4.824   0.596   1.379  1.00  0.00           H  
HETATM   85  H   UNL     1       3.996   2.837   1.369  1.00  0.00           H  
HETATM   86  H   UNL     1       0.162   3.773   2.032  1.00  0.00           H  
HETATM   87  H   UNL     1       1.453   2.628   2.468  1.00  0.00           H  
HETATM   88  H   UNL     1       1.452   3.400   0.864  1.00  0.00           H  
HETATM   89  H   UNL     1      -1.249   1.577  -0.644  1.00  0.00           H  
HETATM   90  H   UNL     1      -0.944   3.841  -1.342  1.00  0.00           H  
HETATM   91  H   UNL     1      -6.820   2.062   0.761  1.00  0.00           H  
HETATM   92  H   UNL     1      -7.450   2.007  -0.903  1.00  0.00           H  
CONECT    1   37    2   42   43                                       
CONECT    2    1   39   39   40                                       
CONECT    3   22   36   37   44                                       
CONECT    4   41   45   46   47                                       
CONECT    5   40   13   41   48                                       
CONECT    6    7    7                                                 
CONECT    7   15    6    6    8                                       
CONECT    8    7    9    9   49                                       
CONECT    9    8    8   10   50                                       
CONECT   10    9   11   12   12                                       
CONECT   11   10   51   52   53                                       
CONECT   12   10   10   13   54                                       
CONECT   13   12    5   14   55                                       
CONECT   14   13   56   57   58                                       
CONECT   15   16   17    7   59                                       
CONECT   16   15   60   61   62                                       
CONECT   17   15   18   63   64                                       
CONECT   18   17   19   22   65                                       
CONECT   19   18   20   66   67                                       
CONECT   20   19   21   21   68                                       
CONECT   21   20   20                                                 
CONECT   22   23   18    3   69                                       
CONECT   23   24   22                                                 
CONECT   24   34   25   23   70                                       
CONECT   25   26   24                                                 
CONECT   26   28   27   25   71                                       
CONECT   27   26   72   73   74                                       
CONECT   28   29   30   26   75                                       
CONECT   29   28   76                                                 
CONECT   30   31   28   34   77                                       
CONECT   31   32   33   30                                            
CONECT   32   31   78   79   80                                       
CONECT   33   31   81   82   83                                       
CONECT   34   30   35   24   84                                       
CONECT   35   34   85                                                 
CONECT   36    3   86   87   88                                       
CONECT   37    3   38    1   89                                       
CONECT   38   37   90                                                 
CONECT   39    2    2                                                 
CONECT   40    2    5                                                 
CONECT   41    5    4   91   92                                       
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    3                                                      
CONECT   45    4                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    5                                                      
CONECT   49    8                                                      
CONECT   50    9                                                      
CONECT   51   11                                                      
CONECT   52   11                                                      
CONECT   53   11                                                      
CONECT   54   12                                                      
CONECT   55   13                                                      
CONECT   56   14                                                      
CONECT   57   14                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   16                                                      
CONECT   62   16                                                      
CONECT   63   17                                                      
CONECT   64   17                                                      
CONECT   65   18                                                      
CONECT   66   19                                                      
CONECT   67   19                                                      
CONECT   68   20                                                      
CONECT   69   22                                                      
CONECT   70   24                                                      
CONECT   71   26                                                      
CONECT   72   27                                                      
CONECT   73   27                                                      
CONECT   74   27                                                      
CONECT   75   28                                                      
CONECT   76   29                                                      
CONECT   77   30                                                      
CONECT   78   32                                                      
CONECT   79   32                                                      
CONECT   80   32                                                      
CONECT   81   33                                                      
CONECT   82   33                                                      
CONECT   83   33                                                      
CONECT   84   34                                                      
CONECT   85   35                                                      
CONECT   86   36                                                      
CONECT   87   36                                                      
CONECT   88   36                                                      
CONECT   89   37                                                      
CONECT   90   38                                                      
CONECT   91   41                                                      
CONECT   92   41                                                      
MASTER        0    0    0    0    0    0    0    0   92    0   92    0
END
