COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.747   1.111   2.503  1.00  0.00           O  
HETATM    2  C   UNL     1       3.729   2.087   2.729  1.00  0.00           C  
HETATM    3  C   UNL     1       4.355   3.462   2.852  1.00  0.00           C  
HETATM    4  C   UNL     1       4.318   4.134   4.014  1.00  0.00           C  
HETATM    5  C   UNL     1       4.964   3.994   1.567  1.00  0.00           C  
HETATM    6  O   UNL     1       5.436   5.332   1.694  1.00  0.00           O  
HETATM    7  C   UNL     1       3.928   3.968   0.436  1.00  0.00           C  
HETATM    8  C   UNL     1       2.725   2.029   1.568  1.00  0.00           C  
HETATM    9  C   UNL     1       3.310   2.601   0.296  1.00  0.00           C  
HETATM   10  C   UNL     1       3.302   1.930  -0.865  1.00  0.00           C  
HETATM   11  C   UNL     1       2.717   0.622  -1.019  1.00  0.00           C  
HETATM   12  C   UNL     1       2.710  -0.049  -2.180  1.00  0.00           C  
HETATM   13  C   UNL     1       3.332   0.543  -3.429  1.00  0.00           C  
HETATM   14  C   UNL     1       2.904  -0.189  -4.709  1.00  0.00           C  
HETATM   15  C   UNL     1       3.085  -1.721  -4.669  1.00  0.00           C  
HETATM   16  C   UNL     1       2.103  -1.414  -2.370  1.00  0.00           C  
HETATM   17  C   UNL     1       3.009  -2.317  -3.242  1.00  0.00           C  
HETATM   18  C   UNL     1       4.441  -2.505  -2.681  1.00  0.00           C  
HETATM   19  C   UNL     1       1.757  -2.293  -1.168  1.00  0.00           C  
HETATM   20  C   UNL     1       1.484  -3.660  -1.805  1.00  0.00           C  
HETATM   21  C   UNL     1       2.289  -3.648  -3.086  1.00  0.00           C  
HETATM   22  C   UNL     1       2.309  -4.670  -3.951  1.00  0.00           C  
HETATM   23  C   UNL     1       3.124  -4.616  -5.213  1.00  0.00           C  
HETATM   24  C   UNL     1       1.542  -5.946  -3.687  1.00  0.00           C  
HETATM   25  C   UNL     1       2.388  -7.007  -2.973  1.00  0.00           C  
HETATM   26  C   UNL     1       1.585  -8.297  -2.755  1.00  0.00           C  
HETATM   27  C   UNL     1       2.369  -9.429  -2.060  1.00  0.00           C  
HETATM   28  C   UNL     1       1.529 -10.695  -1.875  1.00  0.00           C  
HETATM   29  C   UNL     1       2.883  -8.939  -0.702  1.00  0.00           C  
HETATM   30  O   UNL     1       3.503  -9.752  -2.868  1.00  0.00           O  
HETATM   31  H   UNL     1       4.299   0.251   2.457  1.00  0.00           H  
HETATM   32  H   UNL     1       3.220   1.803   3.657  1.00  0.00           H  
HETATM   33  H   UNL     1       3.867   3.693   4.895  1.00  0.00           H  
HETATM   34  H   UNL     1       4.738   5.131   4.091  1.00  0.00           H  
HETATM   35  H   UNL     1       5.828   3.374   1.298  1.00  0.00           H  
HETATM   36  H   UNL     1       5.206   5.783   0.867  1.00  0.00           H  
HETATM   37  H   UNL     1       4.404   4.288  -0.501  1.00  0.00           H  
HETATM   38  H   UNL     1       3.138   4.706   0.630  1.00  0.00           H  
HETATM   39  H   UNL     1       1.829   2.607   1.827  1.00  0.00           H  
HETATM   40  H   UNL     1       2.411   0.991   1.405  1.00  0.00           H  
HETATM   41  H   UNL     1       3.758   2.390  -1.737  1.00  0.00           H  
HETATM   42  H   UNL     1       2.260   0.160  -0.149  1.00  0.00           H  
HETATM   43  H   UNL     1       3.070   1.604  -3.518  1.00  0.00           H  
HETATM   44  H   UNL     1       4.424   0.480  -3.340  1.00  0.00           H  
HETATM   45  H   UNL     1       1.844   0.029  -4.896  1.00  0.00           H  
HETATM   46  H   UNL     1       3.450   0.218  -5.569  1.00  0.00           H  
HETATM   47  H   UNL     1       2.323  -2.164  -5.321  1.00  0.00           H  
HETATM   48  H   UNL     1       4.050  -1.978  -5.125  1.00  0.00           H  
HETATM   49  H   UNL     1       1.152  -1.246  -2.905  1.00  0.00           H  
HETATM   50  H   UNL     1       4.679  -1.713  -1.964  1.00  0.00           H  
HETATM   51  H   UNL     1       4.531  -3.469  -2.173  1.00  0.00           H  
HETATM   52  H   UNL     1       5.177  -2.471  -3.489  1.00  0.00           H  
HETATM   53  H   UNL     1       0.888  -1.925  -0.613  1.00  0.00           H  
HETATM   54  H   UNL     1       2.599  -2.360  -0.467  1.00  0.00           H  
HETATM   55  H   UNL     1       0.418  -3.760  -2.036  1.00  0.00           H  
HETATM   56  H   UNL     1       1.785  -4.470  -1.134  1.00  0.00           H  
HETATM   57  H   UNL     1       2.478  -4.669  -6.095  1.00  0.00           H  
HETATM   58  H   UNL     1       3.706  -3.691  -5.285  1.00  0.00           H  
HETATM   59  H   UNL     1       3.829  -5.452  -5.247  1.00  0.00           H  
HETATM   60  H   UNL     1       0.652  -5.712  -3.089  1.00  0.00           H  
HETATM   61  H   UNL     1       1.170  -6.363  -4.632  1.00  0.00           H  
HETATM   62  H   UNL     1       2.733  -6.620  -2.007  1.00  0.00           H  
HETATM   63  H   UNL     1       3.280  -7.218  -3.575  1.00  0.00           H  
HETATM   64  H   UNL     1       0.711  -8.047  -2.138  1.00  0.00           H  
HETATM   65  H   UNL     1       1.205  -8.651  -3.721  1.00  0.00           H  
HETATM   66  H   UNL     1       1.278 -11.153  -2.838  1.00  0.00           H  
HETATM   67  H   UNL     1       0.603 -10.487  -1.329  1.00  0.00           H  
HETATM   68  H   UNL     1       2.091 -11.455  -1.320  1.00  0.00           H  
HETATM   69  H   UNL     1       3.536  -8.067  -0.824  1.00  0.00           H  
HETATM   70  H   UNL     1       2.060  -8.666  -0.034  1.00  0.00           H  
HETATM   71  H   UNL     1       3.488  -9.710  -0.210  1.00  0.00           H  
HETATM   72  H   UNL     1       3.306  -9.424  -3.758  1.00  0.00           H  
CONECT    1    2   31                                                 
CONECT    2    8    1    3   32                                       
CONECT    3    2    5    4    4                                       
CONECT    4    3    3   33   34                                       
CONECT    5    7    3    6   35                                       
CONECT    6    5   36                                                 
CONECT    7    9    5   37   38                                       
CONECT    8    9    2   39   40                                       
CONECT    9   10   10    8    7                                       
CONECT   10   11    9    9   41                                       
CONECT   11   12   12   10   42                                       
CONECT   12   13   16   11   11                                       
CONECT   13   14   12   43   44                                       
CONECT   14   15   13   45   46                                       
CONECT   15   14   17   47   48                                       
CONECT   16   17   19   12   49                                       
CONECT   17   15   21   16   18                                       
CONECT   18   17   50   51   52                                       
CONECT   19   20   16   53   54                                       
CONECT   20   21   19   55   56                                       
CONECT   21   22   22   17   20                                       
CONECT   22   23   24   21   21                                       
CONECT   23   22   57   58   59                                       
CONECT   24   22   25   60   61                                       
CONECT   25   24   26   62   63                                       
CONECT   26   27   25   64   65                                       
CONECT   27   30   29   26   28                                       
CONECT   28   27   66   67   68                                       
CONECT   29   27   69   70   71                                       
CONECT   30   27   72                                                 
CONECT   31    1                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    6                                                      
CONECT   37    7                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    8                                                      
CONECT   41   10                                                      
CONECT   42   11                                                      
CONECT   43   13                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   14                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   18                                                      
CONECT   51   18                                                      
CONECT   52   18                                                      
CONECT   53   19                                                      
CONECT   54   19                                                      
CONECT   55   20                                                      
CONECT   56   20                                                      
CONECT   57   23                                                      
CONECT   58   23                                                      
CONECT   59   23                                                      
CONECT   60   24                                                      
CONECT   61   24                                                      
CONECT   62   25                                                      
CONECT   63   25                                                      
CONECT   64   26                                                      
CONECT   65   26                                                      
CONECT   66   28                                                      
CONECT   67   28                                                      
CONECT   68   28                                                      
CONECT   69   29                                                      
CONECT   70   29                                                      
CONECT   71   29                                                      
CONECT   72   30                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
