COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.707  -2.449  -2.380  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.277  -3.858  -2.257  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.197  -3.927  -1.068  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.518  -3.807   1.306  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.868  -4.073   1.132  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.376  -4.265  -0.137  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.540  -4.199  -1.236  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.129  -2.535   2.772  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.025  -2.943   3.747  1.00  0.00           C  
HETATM   10  C   UNL     1       1.084  -1.889   3.749  1.00  0.00           C  
HETATM   11  C   UNL     1       2.267  -2.389   2.917  1.00  0.00           C  
HETATM   12  C   UNL     1       3.237  -0.895   1.335  1.00  0.00           C  
HETATM   13  C   UNL     1       2.296  -1.312   0.412  1.00  0.00           C  
HETATM   14  C   UNL     1       2.370  -0.872  -0.912  1.00  0.00           C  
HETATM   15  C   UNL     1       3.412  -0.027  -1.304  1.00  0.00           C  
HETATM   16  C   UNL     1       4.362   0.370  -0.376  1.00  0.00           C  
HETATM   17  C   UNL     1       4.273  -0.062   0.941  1.00  0.00           C  
HETATM   18  C   UNL     1       6.325   1.555   0.252  1.00  0.00           C  
HETATM   19  C   UNL     1       7.376   2.453  -0.349  1.00  0.00           C  
HETATM   20  C   UNL     1       8.493   2.986   0.510  1.00  0.00           C  
HETATM   21  C   UNL     1       1.340  -1.298  -1.883  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.767  -1.433  -1.949  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.197  -0.018  -2.072  1.00  0.00           C  
HETATM   24  C   UNL     1      -1.657   2.321  -1.647  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.680   3.282  -1.100  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.663   3.621   0.240  1.00  0.00           C  
HETATM   27  C   UNL     1      -3.602   4.503   0.742  1.00  0.00           C  
HETATM   28  C   UNL     1      -4.558   5.045  -0.096  1.00  0.00           C  
HETATM   29  C   UNL     1      -4.575   4.707  -1.436  1.00  0.00           C  
HETATM   30  C   UNL     1      -3.633   3.829  -1.939  1.00  0.00           C  
HETATM   31  C   UNL     1      -3.584   4.871   2.203  1.00  0.00           C  
HETATM   32  C   UNL     1      -3.385   6.382   2.345  1.00  0.00           C  
HETATM   33  C   UNL     1      -4.912   4.469   2.847  1.00  0.00           C  
HETATM   34  C   UNL     1      -1.684  -3.727   0.199  1.00  0.00           C  
HETATM   35  N   UNL     1       0.485  -2.306  -1.521  1.00  0.00           N  
HETATM   36  N   UNL     1      -2.171   0.948  -1.546  1.00  0.00           N  
HETATM   37  O   UNL     1      -2.015  -3.630   2.552  1.00  0.00           O  
HETATM   38  O   UNL     1       3.149  -1.304   2.629  1.00  0.00           O  
HETATM   39  O   UNL     1       5.382   1.184  -0.755  1.00  0.00           O  
HETATM   40  O   UNL     1       7.322   2.745  -1.520  1.00  0.00           O  
HETATM   41  O   UNL     1       1.255  -0.769  -2.974  1.00  0.00           O  
HETATM   42  O   UNL     1      -2.916  -1.558  -2.790  1.00  0.00           O  
HETATM   43  H   UNL     1      -0.429  -2.260  -3.417  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.834  -4.105  -3.161  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.462  -4.570  -2.128  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.522  -4.129   1.990  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.429  -4.467  -0.272  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.937  -4.360  -2.227  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.687  -1.696   3.189  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.682  -2.234   1.824  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.442  -3.033   4.750  1.00  0.00           H  
HETATM   52  H   UNL     1       0.391  -3.903   3.441  1.00  0.00           H  
HETATM   53  H   UNL     1       0.705  -0.962   3.321  1.00  0.00           H  
HETATM   54  H   UNL     1       1.411  -1.709   4.773  1.00  0.00           H  
HETATM   55  H   UNL     1       2.806  -3.155   3.475  1.00  0.00           H  
HETATM   56  H   UNL     1       1.900  -2.814   1.982  1.00  0.00           H  
HETATM   57  H   UNL     1       1.503  -1.980   0.715  1.00  0.00           H  
HETATM   58  H   UNL     1       3.478   0.314  -2.326  1.00  0.00           H  
HETATM   59  H   UNL     1       5.014   0.253   1.661  1.00  0.00           H  
HETATM   60  H   UNL     1       6.799   0.660   0.654  1.00  0.00           H  
HETATM   61  H   UNL     1       5.811   2.085   1.054  1.00  0.00           H  
HETATM   62  H   UNL     1       9.063   2.154   0.923  1.00  0.00           H  
HETATM   63  H   UNL     1       9.150   3.612  -0.094  1.00  0.00           H  
HETATM   64  H   UNL     1       8.074   3.579   1.324  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.052  -1.622  -0.914  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.272   0.051  -1.500  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.995   0.203  -3.120  1.00  0.00           H  
HETATM   68  H   UNL     1      -1.458   2.558  -2.693  1.00  0.00           H  
HETATM   69  H   UNL     1      -0.734   2.407  -1.073  1.00  0.00           H  
HETATM   70  H   UNL     1      -1.916   3.197   0.894  1.00  0.00           H  
HETATM   71  H   UNL     1      -5.292   5.733   0.297  1.00  0.00           H  
HETATM   72  H   UNL     1      -5.322   5.131  -2.091  1.00  0.00           H  
HETATM   73  H   UNL     1      -3.646   3.565  -2.986  1.00  0.00           H  
HETATM   74  H   UNL     1      -2.766   4.349   2.700  1.00  0.00           H  
HETATM   75  H   UNL     1      -3.372   6.648   3.402  1.00  0.00           H  
HETATM   76  H   UNL     1      -2.439   6.668   1.886  1.00  0.00           H  
HETATM   77  H   UNL     1      -4.203   6.904   1.849  1.00  0.00           H  
HETATM   78  H   UNL     1      -5.053   3.393   2.746  1.00  0.00           H  
HETATM   79  H   UNL     1      -4.898   4.736   3.904  1.00  0.00           H  
HETATM   80  H   UNL     1      -5.729   4.991   2.351  1.00  0.00           H  
HETATM   81  H   UNL     1      -0.634  -3.507   0.329  1.00  0.00           H  
HETATM   82  H   UNL     1       0.650  -2.881  -0.758  1.00  0.00           H  
HETATM   83  H   UNL     1      -2.424   0.726  -0.595  1.00  0.00           H  
HETATM   84  H   UNL     1      -2.736  -1.403  -3.727  1.00  0.00           H  
CONECT    1   22    2   35   43                                       
CONECT    2    1    3   44   45                                       
CONECT    3    7    2   34   34                                       
CONECT    4    5    5   34   37                                       
CONECT    5    6    4    4   46                                       
CONECT    6    7    7    5   47                                       
CONECT    7    6    6    3   48                                       
CONECT    8   37    9   49   50                                       
CONECT    9    8   10   51   52                                       
CONECT   10   11    9   53   54                                       
CONECT   11   38   10   55   56                                       
CONECT   12   13   13   17   38                                       
CONECT   13   14   12   12   57                                       
CONECT   14   21   15   15   13                                       
CONECT   15   14   14   16   58                                       
CONECT   16   15   39   17   17                                       
CONECT   17   16   16   12   59                                       
CONECT   18   39   19   60   61                                       
CONECT   19   18   40   40   20                                       
CONECT   20   19   62   63   64                                       
CONECT   21   41   41   35   14                                       
CONECT   22   23   42    1   65                                       
CONECT   23   36   22   66   67                                       
CONECT   24   25   36   68   69                                       
CONECT   25   26   26   30   24                                       
CONECT   26   27   25   25   70                                       
CONECT   27   31   28   28   26                                       
CONECT   28   27   27   29   71                                       
CONECT   29   28   30   30   72                                       
CONECT   30   29   29   25   73                                       
CONECT   31   32   33   27   74                                       
CONECT   32   31   75   76   77                                       
CONECT   33   31   78   79   80                                       
CONECT   34    3    3    4   81                                       
CONECT   35    1   21   82                                            
CONECT   36   24   23   83                                            
CONECT   37    4    8                                                 
CONECT   38   12   11                                                 
CONECT   39   16   18                                                 
CONECT   40   19   19                                                 
CONECT   41   21   21                                                 
CONECT   42   22   84                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    5                                                      
CONECT   47    6                                                      
CONECT   48    7                                                      
CONECT   49    8                                                      
CONECT   50    8                                                      
CONECT   51    9                                                      
CONECT   52    9                                                      
CONECT   53   10                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   11                                                      
CONECT   57   13                                                      
CONECT   58   15                                                      
CONECT   59   17                                                      
CONECT   60   18                                                      
CONECT   61   18                                                      
CONECT   62   20                                                      
CONECT   63   20                                                      
CONECT   64   20                                                      
CONECT   65   22                                                      
CONECT   66   23                                                      
CONECT   67   23                                                      
CONECT   68   24                                                      
CONECT   69   24                                                      
CONECT   70   26                                                      
CONECT   71   28                                                      
CONECT   72   29                                                      
CONECT   73   30                                                      
CONECT   74   31                                                      
CONECT   75   32                                                      
CONECT   76   32                                                      
CONECT   77   32                                                      
CONECT   78   33                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   34                                                      
CONECT   82   35                                                      
CONECT   83   36                                                      
CONECT   84   42                                                      
MASTER        0    0    0    0    0    0    0    0   84    0   84    0
END
