COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.156  -4.744  -1.185  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.273  -4.564  -0.159  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.092  -3.263   0.611  1.00  0.00           C  
HETATM    4  C   UNL     1       1.232  -4.506  -0.566  1.00  0.00           C  
HETATM    5  C   UNL     1       1.251  -3.097  -0.021  1.00  0.00           C  
HETATM    6  C   UNL     1       0.275  -3.047   1.189  1.00  0.00           C  
HETATM    7  C   UNL     1       0.571  -1.656   1.754  1.00  0.00           C  
HETATM    8  C   UNL     1       2.121  -1.575   1.674  1.00  0.00           C  
HETATM    9  C   UNL     1       2.552  -2.566   0.561  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.078  -2.379   0.760  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.393  -2.643   0.172  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.391  -1.747   0.323  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.766  -1.983  -0.269  1.00  0.00           C  
HETATM   14  C   UNL     1      -6.214  -0.700  -0.975  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.216   0.464   0.017  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.783   0.768   0.464  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.198  -0.493   1.080  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.543  -0.470   2.240  1.00  0.00           C  
HETATM   19  O   UNL     1      -7.531  -0.880  -1.499  1.00  0.00           O  
HETATM   20  O   UNL     1      -4.001   1.165  -0.664  1.00  0.00           O  
HETATM   21  C   UNL     1       3.357  -1.836  -0.517  1.00  0.00           C  
HETATM   22  C   UNL     1       0.763  -2.130  -1.101  1.00  0.00           C  
HETATM   23  C   UNL     1       4.563  -1.186   0.110  1.00  0.00           C  
HETATM   24  C   UNL     1       3.813  -2.839  -1.579  1.00  0.00           C  
HETATM   25  C   UNL     1       4.723   0.137   0.035  1.00  0.00           C  
HETATM   26  C   UNL     1       3.788   1.120  -0.641  1.00  0.00           C  
HETATM   27  C   UNL     1       4.706   2.270  -1.103  1.00  0.00           C  
HETATM   28  C   UNL     1       5.873   2.257  -0.100  1.00  0.00           C  
HETATM   29  C   UNL     1       5.832   0.913   0.597  1.00  0.00           C  
HETATM   30  O   UNL     1       6.588   0.541   1.470  1.00  0.00           O  
HETATM   31  C   UNL     1       5.697   3.378   0.925  1.00  0.00           C  
HETATM   32  C   UNL     1       7.182   2.424  -0.829  1.00  0.00           C  
HETATM   33  C   UNL     1       6.864   3.353   1.915  1.00  0.00           C  
HETATM   34  O   UNL     1       8.335   2.441  -0.143  1.00  0.00           O  
HETATM   35  O   UNL     1       7.192   2.544  -2.031  1.00  0.00           O  
HETATM   36  C   UNL     1       9.557   2.606  -0.911  1.00  0.00           C  
HETATM   37  O   UNL     1      -6.774   1.621  -0.610  1.00  0.00           O  
HETATM   38  C   UNL     1      -7.441   2.506   0.292  1.00  0.00           C  
HETATM   39  C   UNL     1      -7.995   3.703  -0.483  1.00  0.00           C  
HETATM   40  C   UNL     1      -8.710   4.650   0.483  1.00  0.00           C  
HETATM   41  O   UNL     1      -9.228   5.767  -0.242  1.00  0.00           O  
HETATM   42  H   UNL     1      -0.198  -5.759  -1.581  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.306  -4.039  -2.002  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.233  -4.546  -0.673  1.00  0.00           H  
HETATM   45  H   UNL     1      -1.256  -5.400   0.540  1.00  0.00           H  
HETATM   46  H   UNL     1       1.404  -5.218   0.241  1.00  0.00           H  
HETATM   47  H   UNL     1       2.002  -4.617  -1.330  1.00  0.00           H  
HETATM   48  H   UNL     1       0.514  -3.826   1.914  1.00  0.00           H  
HETATM   49  H   UNL     1       0.111  -0.883   1.138  1.00  0.00           H  
HETATM   50  H   UNL     1       0.233  -1.580   2.788  1.00  0.00           H  
HETATM   51  H   UNL     1       2.430  -0.563   1.414  1.00  0.00           H  
HETATM   52  H   UNL     1       2.562  -1.868   2.627  1.00  0.00           H  
HETATM   53  H   UNL     1       3.138  -3.381   0.985  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.907  -1.468   1.314  1.00  0.00           H  
HETATM   55  H   UNL     1      -3.565  -3.554  -0.382  1.00  0.00           H  
HETATM   56  H   UNL     1      -5.721  -2.801  -0.988  1.00  0.00           H  
HETATM   57  H   UNL     1      -6.471  -2.230   0.525  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.528  -0.478  -1.793  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.818   0.198   0.886  1.00  0.00           H  
HETATM   60  H   UNL     1      -4.791   1.566   1.205  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.138  -1.383   2.649  1.00  0.00           H  
HETATM   62  H   UNL     1      -3.417   0.462   2.771  1.00  0.00           H  
HETATM   63  H   UNL     1      -7.605  -1.600  -2.140  1.00  0.00           H  
HETATM   64  H   UNL     1      -3.080   1.372  -0.451  1.00  0.00           H  
HETATM   65  H   UNL     1       2.733  -1.073  -0.982  1.00  0.00           H  
HETATM   66  H   UNL     1      -0.287  -2.326  -1.317  1.00  0.00           H  
HETATM   67  H   UNL     1       0.875  -1.105  -0.749  1.00  0.00           H  
HETATM   68  H   UNL     1       1.352  -2.270  -2.007  1.00  0.00           H  
HETATM   69  H   UNL     1       5.298  -1.791   0.621  1.00  0.00           H  
HETATM   70  H   UNL     1       4.352  -3.656  -1.100  1.00  0.00           H  
HETATM   71  H   UNL     1       2.942  -3.236  -2.102  1.00  0.00           H  
HETATM   72  H   UNL     1       4.469  -2.340  -2.293  1.00  0.00           H  
HETATM   73  H   UNL     1       3.302   0.654  -1.498  1.00  0.00           H  
HETATM   74  H   UNL     1       3.045   1.487   0.067  1.00  0.00           H  
HETATM   75  H   UNL     1       5.069   2.085  -2.113  1.00  0.00           H  
HETATM   76  H   UNL     1       4.176   3.222  -1.056  1.00  0.00           H  
HETATM   77  H   UNL     1       5.677   4.340   0.412  1.00  0.00           H  
HETATM   78  H   UNL     1       4.760   3.235   1.464  1.00  0.00           H  
HETATM   79  H   UNL     1       7.800   3.497   1.376  1.00  0.00           H  
HETATM   80  H   UNL     1       6.738   4.153   2.645  1.00  0.00           H  
HETATM   81  H   UNL     1       6.884   2.392   2.428  1.00  0.00           H  
HETATM   82  H   UNL     1       9.651   1.786  -1.623  1.00  0.00           H  
HETATM   83  H   UNL     1       9.522   3.553  -1.449  1.00  0.00           H  
HETATM   84  H   UNL     1      10.413   2.601  -0.236  1.00  0.00           H  
HETATM   85  H   UNL     1      -8.261   1.977   0.780  1.00  0.00           H  
HETATM   86  H   UNL     1      -6.736   2.856   1.046  1.00  0.00           H  
HETATM   87  H   UNL     1      -7.176   4.231  -0.970  1.00  0.00           H  
HETATM   88  H   UNL     1      -8.701   3.352  -1.237  1.00  0.00           H  
HETATM   89  H   UNL     1      -9.530   4.121   0.970  1.00  0.00           H  
HETATM   90  H   UNL     1      -8.005   5.000   1.236  1.00  0.00           H  
HETATM   91  H   UNL     1      -9.695   6.411   0.309  1.00  0.00           H  
CONECT    1    2    4   42   43                                       
CONECT    2    1    3   44   45                                       
CONECT    3    2    6   10   10                                       
CONECT    4    1    5   46   47                                       
CONECT    5    4    6    9   22                                       
CONECT    6    3    5    7   48                                       
CONECT    7    6    8   49   50                                       
CONECT    8    7    9   51   52                                       
CONECT    9    5    8   21   53                                       
CONECT   10    3    3   11   54                                       
CONECT   11   10   12   12   55                                       
CONECT   12   11   11   13   17                                       
CONECT   13   12   14   56   57                                       
CONECT   14   13   15   19   58                                       
CONECT   15   14   16   37   59                                       
CONECT   16   15   17   20   60                                       
CONECT   17   12   16   18   18                                       
CONECT   18   17   17   61   62                                       
CONECT   19   14   63                                                 
CONECT   20   16   64                                                 
CONECT   21    9   23   24   65                                       
CONECT   22    5   66   67   68                                       
CONECT   23   21   25   25   69                                       
CONECT   24   21   70   71   72                                       
CONECT   25   23   23   26   29                                       
CONECT   26   25   27   73   74                                       
CONECT   27   26   28   75   76                                       
CONECT   28   27   29   31   32                                       
CONECT   29   25   28   30   30                                       
CONECT   30   29   29                                                 
CONECT   31   28   33   77   78                                       
CONECT   32   28   34   35   35                                       
CONECT   33   31   79   80   81                                       
CONECT   34   32   36                                                 
CONECT   35   32   32                                                 
CONECT   36   34   82   83   84                                       
CONECT   37   15   38                                                 
CONECT   38   37   39   85   86                                       
CONECT   39   38   40   87   88                                       
CONECT   40   39   41   89   90                                       
CONECT   41   40   91                                                 
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    2                                                      
CONECT   46    4                                                      
CONECT   47    4                                                      
CONECT   48    6                                                      
CONECT   49    7                                                      
CONECT   50    7                                                      
CONECT   51    8                                                      
CONECT   52    8                                                      
CONECT   53    9                                                      
CONECT   54   10                                                      
CONECT   55   11                                                      
CONECT   56   13                                                      
CONECT   57   13                                                      
CONECT   58   14                                                      
CONECT   59   15                                                      
CONECT   60   16                                                      
CONECT   61   18                                                      
CONECT   62   18                                                      
CONECT   63   19                                                      
CONECT   64   20                                                      
CONECT   65   21                                                      
CONECT   66   22                                                      
CONECT   67   22                                                      
CONECT   68   22                                                      
CONECT   69   23                                                      
CONECT   70   24                                                      
CONECT   71   24                                                      
CONECT   72   24                                                      
CONECT   73   26                                                      
CONECT   74   26                                                      
CONECT   75   27                                                      
CONECT   76   27                                                      
CONECT   77   31                                                      
CONECT   78   31                                                      
CONECT   79   33                                                      
CONECT   80   33                                                      
CONECT   81   33                                                      
CONECT   82   36                                                      
CONECT   83   36                                                      
CONECT   84   36                                                      
CONECT   85   38                                                      
CONECT   86   38                                                      
CONECT   87   39                                                      
CONECT   88   39                                                      
CONECT   89   40                                                      
CONECT   90   40                                                      
CONECT   91   41                                                      
MASTER        0    0    0    0    0    0    0    0   91    0   91    0
END
