COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.825   1.293  -1.009  1.00  0.00           C  
HETATM    2  O   UNL     1      -8.162   0.648   0.593  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.152   1.626  -0.324  1.00  0.00           C  
HETATM    4  O   UNL     1       2.602  -0.026   1.257  1.00  0.00           O  
HETATM    5  C   UNL     1      -6.885   0.333   0.033  1.00  0.00           C  
HETATM    6  O   UNL     1       4.265  -1.597  -0.401  1.00  0.00           O  
HETATM    7  C   UNL     1      -6.062  -0.458   1.054  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.670  -0.675   0.483  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.190  -1.883   0.475  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.832  -2.220  -0.069  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.927  -0.988   0.033  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.612   0.172  -0.704  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.930   0.522  -0.034  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.720   1.409  -0.766  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.341   1.088  -1.364  1.00  0.00           C  
HETATM   16  C   UNL     1       0.275  -0.001  -0.507  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.611  -1.265  -0.672  1.00  0.00           C  
HETATM   18  C   UNL     1       0.270  -2.347  -0.037  1.00  0.00           C  
HETATM   19  C   UNL     1       1.687  -1.996  -0.567  1.00  0.00           C  
HETATM   20  C   UNL     1       1.660  -0.488  -0.921  1.00  0.00           C  
HETATM   21  C   UNL     1       0.288   0.436   0.959  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.618   1.439   1.151  1.00  0.00           C  
HETATM   23  C   UNL     1       2.741   0.259  -0.137  1.00  0.00           C  
HETATM   24  C   UNL     1       2.588   1.764  -0.366  1.00  0.00           C  
HETATM   25  C   UNL     1       4.122  -0.192  -0.615  1.00  0.00           C  
HETATM   26  C   UNL     1       5.203   0.556   0.169  1.00  0.00           C  
HETATM   27  C   UNL     1       6.580   0.199  -0.394  1.00  0.00           C  
HETATM   28  C   UNL     1       7.661   0.946   0.390  1.00  0.00           C  
HETATM   29  C   UNL     1       7.674   0.452   1.838  1.00  0.00           C  
HETATM   30  C   UNL     1       9.026   0.687  -0.250  1.00  0.00           C  
HETATM   31  H   UNL     1      -5.014   0.681  -1.890  1.00  0.00           H  
HETATM   32  H   UNL     1      -4.327   2.216  -1.307  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.684  -0.127   0.843  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.957   2.196   0.585  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.769   2.220  -0.998  1.00  0.00           H  
HETATM   36  H   UNL     1       2.688  -0.964   1.476  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.021  -0.268  -0.866  1.00  0.00           H  
HETATM   38  H   UNL     1       4.182  -1.865   0.525  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.992   0.106   1.985  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.536  -1.421   1.242  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.795  -2.681   0.878  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.401  -3.038   0.509  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.923  -2.520  -1.113  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.763  -0.726   1.078  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.819  -0.144  -1.726  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.206   2.167  -1.381  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.587   1.803   0.242  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.454   0.736  -2.389  1.00  0.00           H  
HETATM   49  H   UNL     1       0.289   1.978  -1.343  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.784  -1.474  -1.727  1.00  0.00           H  
HETATM   51  H   UNL     1       0.238  -2.282   1.051  1.00  0.00           H  
HETATM   52  H   UNL     1      -0.033  -3.338  -0.374  1.00  0.00           H  
HETATM   53  H   UNL     1       2.433  -2.186   0.205  1.00  0.00           H  
HETATM   54  H   UNL     1       1.910  -2.585  -1.457  1.00  0.00           H  
HETATM   55  H   UNL     1       1.805  -0.349  -1.992  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.707   0.775   1.246  1.00  0.00           H  
HETATM   57  H   UNL     1       0.581  -0.406   1.587  1.00  0.00           H  
HETATM   58  H   UNL     1       1.001   1.251   1.089  1.00  0.00           H  
HETATM   59  H   UNL     1      -4.548   1.727   1.642  1.00  0.00           H  
HETATM   60  H   UNL     1      -2.981   0.911   1.860  1.00  0.00           H  
HETATM   61  H   UNL     1      -3.104   2.331   0.795  1.00  0.00           H  
HETATM   62  H   UNL     1       3.261   2.304   0.301  1.00  0.00           H  
HETATM   63  H   UNL     1       2.835   2.001  -1.401  1.00  0.00           H  
HETATM   64  H   UNL     1       1.559   2.061  -0.162  1.00  0.00           H  
HETATM   65  H   UNL     1       4.228   0.026  -1.678  1.00  0.00           H  
HETATM   66  H   UNL     1       5.040   1.630   0.077  1.00  0.00           H  
HETATM   67  H   UNL     1       5.154   0.269   1.219  1.00  0.00           H  
HETATM   68  H   UNL     1       6.742  -0.875  -0.302  1.00  0.00           H  
HETATM   69  H   UNL     1       6.629   0.485  -1.444  1.00  0.00           H  
HETATM   70  H   UNL     1       7.448   2.015   0.373  1.00  0.00           H  
HETATM   71  H   UNL     1       6.701   0.637   2.294  1.00  0.00           H  
HETATM   72  H   UNL     1       7.886  -0.617   1.856  1.00  0.00           H  
HETATM   73  H   UNL     1       8.444   0.985   2.397  1.00  0.00           H  
HETATM   74  H   UNL     1       9.016   1.039  -1.281  1.00  0.00           H  
HETATM   75  H   UNL     1       9.796   1.220   0.309  1.00  0.00           H  
HETATM   76  H   UNL     1       9.238  -0.382  -0.232  1.00  0.00           H  
CONECT    1    3   13   31   32                                       
CONECT    2    5   33                                                 
CONECT    3    1    5   34   35                                       
CONECT    4   23   36                                                 
CONECT    5    2    3    7   37                                       
CONECT    6   25   38                                                 
CONECT    7    5    8   39   40                                       
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   41                                       
CONECT   10    9   11   42   43                                       
CONECT   11   10   12   17   44                                       
CONECT   12   11   13   14   45                                       
CONECT   13    1    8   12   22                                       
CONECT   14   12   15   46   47                                       
CONECT   15   14   16   48   49                                       
CONECT   16   15   17   20   21                                       
CONECT   17   11   16   18   50                                       
CONECT   18   17   19   51   52                                       
CONECT   19   18   20   53   54                                       
CONECT   20   16   19   23   55                                       
CONECT   21   16   56   57   58                                       
CONECT   22   13   59   60   61                                       
CONECT   23    4   20   24   25                                       
CONECT   24   23   62   63   64                                       
CONECT   25    6   23   26   65                                       
CONECT   26   25   27   66   67                                       
CONECT   27   26   28   68   69                                       
CONECT   28   27   29   30   70                                       
CONECT   29   28   71   72   73                                       
CONECT   30   28   74   75   76                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    2                                                      
CONECT   34    3                                                      
CONECT   35    3                                                      
CONECT   36    4                                                      
CONECT   37    5                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    7                                                      
CONECT   41    9                                                      
CONECT   42   10                                                      
CONECT   43   10                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   14                                                      
CONECT   47   14                                                      
CONECT   48   15                                                      
CONECT   49   15                                                      
CONECT   50   17                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   21                                                      
CONECT   57   21                                                      
CONECT   58   21                                                      
CONECT   59   22                                                      
CONECT   60   22                                                      
CONECT   61   22                                                      
CONECT   62   24                                                      
CONECT   63   24                                                      
CONECT   64   24                                                      
CONECT   65   25                                                      
CONECT   66   26                                                      
CONECT   67   26                                                      
CONECT   68   27                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   29                                                      
CONECT   73   29                                                      
CONECT   74   30                                                      
CONECT   75   30                                                      
CONECT   76   30                                                      
MASTER        0    0    0    0    0    0    0    0   76    0   76    0
END
