COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       7.851  -2.300  -1.180  1.00  0.00           C  
HETATM    2  C   UNL     1       4.186  -2.063  -0.467  1.00  0.00           C  
HETATM    3  C   UNL     1       2.021  -2.022   0.741  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.200  -1.321   0.186  1.00  0.00           C  
HETATM    5  C   UNL     1       1.546  -3.275   1.084  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.949  -1.859   0.516  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.376  -2.133   0.279  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.152  -3.696  -0.154  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.646  -1.344   0.048  1.00  0.00           C  
HETATM   10  C   UNL     1      12.261  -0.089  -0.630  1.00  0.00           C  
HETATM   11  C   UNL     1      10.033   0.603  -0.170  1.00  0.00           C  
HETATM   12  C   UNL     1       9.095   1.526   0.282  1.00  0.00           C  
HETATM   13  C   UNL     1       7.749   1.206   0.256  1.00  0.00           C  
HETATM   14  C   UNL     1       7.331  -0.029  -0.218  1.00  0.00           C  
HETATM   15  C   UNL     1       5.854  -0.327  -0.229  1.00  0.00           C  
HETATM   16  C   UNL     1       6.359  -2.302  -1.514  1.00  0.00           C  
HETATM   17  C   UNL     1       8.261  -0.945  -0.663  1.00  0.00           C  
HETATM   18  C   UNL     1       9.611  -0.628  -0.640  1.00  0.00           C  
HETATM   19  C   UNL     1       3.493  -1.720   0.853  1.00  0.00           C  
HETATM   20  C   UNL     1       1.150  -1.048   0.291  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.682  -2.577   0.534  1.00  0.00           C  
HETATM   22  C   UNL     1       0.197  -3.555   0.981  1.00  0.00           C  
HETATM   23  C   UNL     1      -4.814  -3.444   0.067  1.00  0.00           C  
HETATM   24  C   UNL     1      -7.070  -2.646  -0.167  1.00  0.00           C  
HETATM   25  C   UNL     1      -5.304  -1.079   0.271  1.00  0.00           C  
HETATM   26  C   UNL     1      -5.473   1.249  -0.161  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.955   2.624  -0.011  1.00  0.00           C  
HETATM   28  C   UNL     1      -5.565   3.680  -0.678  1.00  0.00           C  
HETATM   29  C   UNL     1      -5.033   4.969  -0.500  1.00  0.00           C  
HETATM   30  C   UNL     1      -5.596   6.085  -1.141  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.054   7.318  -0.945  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.947   7.488  -0.116  1.00  0.00           C  
HETATM   33  C   UNL     1      -3.376   6.428   0.520  1.00  0.00           C  
HETATM   34  C   UNL     1      -3.906   5.139   0.344  1.00  0.00           C  
HETATM   35  C   UNL     1      -3.844   2.877   0.813  1.00  0.00           C  
HETATM   36  C   UNL     1      -9.273  -1.780  -0.385  1.00  0.00           C  
HETATM   37  C   UNL     1      -5.584  -5.999  -0.336  1.00  0.00           C  
HETATM   38  C   UNL     1       8.481   3.635   1.195  1.00  0.00           C  
HETATM   39  N   UNL     1       5.622  -1.769  -0.357  1.00  0.00           N  
HETATM   40  N   UNL     1      -2.048  -2.857   0.430  1.00  0.00           N  
HETATM   41  N   UNL     1      -4.877   0.230   0.488  1.00  0.00           N  
HETATM   42  N   UNL     1      -3.362   4.084   0.961  1.00  0.00           N  
HETATM   43  O   UNL     1      11.358   0.909  -0.150  1.00  0.00           O  
HETATM   44  O   UNL     1      -2.583  -0.731   0.790  1.00  0.00           O  
HETATM   45  O   UNL     1      -6.437   1.037  -0.871  1.00  0.00           O  
HETATM   46  O   UNL     1      -8.386  -2.901  -0.386  1.00  0.00           O  
HETATM   47  O   UNL     1      -6.577  -4.972  -0.362  1.00  0.00           O  
HETATM   48  O   UNL     1       9.500   2.738   0.748  1.00  0.00           O  
HETATM   49  H   UNL     1       8.053  -3.054  -0.419  1.00  0.00           H  
HETATM   50  H   UNL     1       8.423  -2.532  -2.079  1.00  0.00           H  
HETATM   51  H   UNL     1       4.048  -3.122  -0.685  1.00  0.00           H  
HETATM   52  H   UNL     1       3.753  -1.467  -1.270  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.881  -0.560  -0.165  1.00  0.00           H  
HETATM   54  H   UNL     1       2.230  -4.035   1.431  1.00  0.00           H  
HETATM   55  H   UNL     1      -7.362  -0.535   0.041  1.00  0.00           H  
HETATM   56  H   UNL     1      12.029  -0.319  -1.670  1.00  0.00           H  
HETATM   57  H   UNL     1      13.284   0.283  -0.560  1.00  0.00           H  
HETATM   58  H   UNL     1      12.160  -0.991  -0.027  1.00  0.00           H  
HETATM   59  H   UNL     1       7.021   1.921   0.607  1.00  0.00           H  
HETATM   60  H   UNL     1       5.408   0.028   0.700  1.00  0.00           H  
HETATM   61  H   UNL     1       5.389   0.188  -1.070  1.00  0.00           H  
HETATM   62  H   UNL     1       6.178  -1.674  -2.386  1.00  0.00           H  
HETATM   63  H   UNL     1       6.031  -3.321  -1.719  1.00  0.00           H  
HETATM   64  H   UNL     1      10.337  -1.346  -0.992  1.00  0.00           H  
HETATM   65  H   UNL     1       3.926  -2.316   1.657  1.00  0.00           H  
HETATM   66  H   UNL     1       3.632  -0.661   1.072  1.00  0.00           H  
HETATM   67  H   UNL     1       1.524  -0.072   0.021  1.00  0.00           H  
HETATM   68  H   UNL     1      -0.174  -4.532   1.252  1.00  0.00           H  
HETATM   69  H   UNL     1      -4.104  -4.259   0.075  1.00  0.00           H  
HETATM   70  H   UNL     1      -6.422   3.515  -1.315  1.00  0.00           H  
HETATM   71  H   UNL     1      -6.454   5.965  -1.787  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.487   8.176  -1.438  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.534   8.476   0.023  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.518   6.578   1.158  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.375   2.055   1.334  1.00  0.00           H  
HETATM   76  H   UNL     1      -8.976  -1.082  -1.168  1.00  0.00           H  
HETATM   77  H   UNL     1     -10.291  -2.122  -0.571  1.00  0.00           H  
HETATM   78  H   UNL     1      -9.229  -1.282   0.583  1.00  0.00           H  
HETATM   79  H   UNL     1      -6.055  -6.965  -0.515  1.00  0.00           H  
HETATM   80  H   UNL     1      -4.843  -5.807  -1.113  1.00  0.00           H  
HETATM   81  H   UNL     1      -5.095  -6.008   0.638  1.00  0.00           H  
HETATM   82  H   UNL     1       7.799   3.849   0.372  1.00  0.00           H  
HETATM   83  H   UNL     1       7.928   3.176   2.015  1.00  0.00           H  
HETATM   84  H   UNL     1       8.938   4.562   1.540  1.00  0.00           H  
HETATM   85  H   UNL     1      -2.347  -3.770   0.296  1.00  0.00           H  
HETATM   86  H   UNL     1      -4.151   0.407   1.107  1.00  0.00           H  
CONECT    1   16   17   49   50                                       
CONECT    2   19   39   51   52                                       
CONECT    3    5    5   20   19                                       
CONECT    4   21   20   20   53                                       
CONECT    5   22    3    3   54                                       
CONECT    6    7   40   44   44                                       
CONECT    7   23   23   25    6                                       
CONECT    8   47   24   24   23                                       
CONECT    9   24   25   25   55                                       
CONECT   10   43   56   57   58                                       
CONECT   11   18   43   12   12                                       
CONECT   12   11   11   13   48                                       
CONECT   13   14   14   12   59                                       
CONECT   14   17   15   13   13                                       
CONECT   15   39   14   60   61                                       
CONECT   16    1   39   62   63                                       
CONECT   17    1   18   18   14                                       
CONECT   18   17   17   11   64                                       
CONECT   19    3    2   65   66                                       
CONECT   20    4    4    3   67                                       
CONECT   21   40   22   22    4                                       
CONECT   22   21   21    5   68                                       
CONECT   23    8    7    7   69                                       
CONECT   24   46    8    8    9                                       
CONECT   25    9    9    7   41                                       
CONECT   26   45   45   41   27                                       
CONECT   27   26   28   28   35                                       
CONECT   28   27   27   29   70                                       
CONECT   29   28   30   30   34                                       
CONECT   30   29   29   31   71                                       
CONECT   31   30   32   32   72                                       
CONECT   32   31   31   33   73                                       
CONECT   33   34   34   32   74                                       
CONECT   34   29   42   33   33                                       
CONECT   35   27   42   42   75                                       
CONECT   36   46   76   77   78                                       
CONECT   37   47   79   80   81                                       
CONECT   38   48   82   83   84                                       
CONECT   39    2   16   15                                            
CONECT   40    6   21   85                                            
CONECT   41   25   26   86                                            
CONECT   42   35   35   34                                            
CONECT   43   11   10                                                 
CONECT   44    6    6                                                 
CONECT   45   26   26                                                 
CONECT   46   36   24                                                 
CONECT   47   37    8                                                 
CONECT   48   38   12                                                 
CONECT   49    1                                                      
CONECT   50    1                                                      
CONECT   51    2                                                      
CONECT   52    2                                                      
CONECT   53    4                                                      
CONECT   54    5                                                      
CONECT   55    9                                                      
CONECT   56   10                                                      
CONECT   57   10                                                      
CONECT   58   10                                                      
CONECT   59   13                                                      
CONECT   60   15                                                      
CONECT   61   15                                                      
CONECT   62   16                                                      
CONECT   63   16                                                      
CONECT   64   18                                                      
CONECT   65   19                                                      
CONECT   66   19                                                      
CONECT   67   20                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   28                                                      
CONECT   71   30                                                      
CONECT   72   31                                                      
CONECT   73   32                                                      
CONECT   74   33                                                      
CONECT   75   35                                                      
CONECT   76   36                                                      
CONECT   77   36                                                      
CONECT   78   36                                                      
CONECT   79   37                                                      
CONECT   80   37                                                      
CONECT   81   37                                                      
CONECT   82   38                                                      
CONECT   83   38                                                      
CONECT   84   38                                                      
CONECT   85   40                                                      
CONECT   86   41                                                      
MASTER        0    0    0    0    0    0    0    0   86    0   86    0
END
