COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -0.228  -2.307   0.669  1.00  0.00           C  
HETATM    2  O   UNL     1      -4.543   0.300   1.340  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.637  -2.166   0.086  1.00  0.00           C  
HETATM    4  O   UNL     1      -6.226   2.814  -0.728  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.052  -0.692   0.134  1.00  0.00           C  
HETATM    6  O   UNL     1      -5.597  -1.936  -1.364  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.022   0.145  -0.628  1.00  0.00           C  
HETATM    8  O   UNL     1      -7.236   0.366  -1.807  1.00  0.00           O  
HETATM    9  C   UNL     1      -5.727  -0.893  -0.396  1.00  0.00           C  
HETATM   10  O   UNL     1       0.271  -0.056  -0.055  1.00  0.00           O  
HETATM   11  C   UNL     1       0.732  -1.407  -0.114  1.00  0.00           C  
HETATM   12  O   UNL     1      -3.558   2.750   2.477  1.00  0.00           O  
HETATM   13  C   UNL     1      -5.991   0.437  -1.109  1.00  0.00           C  
HETATM   14  O   UNL     1      -3.337  -0.538  -0.474  1.00  0.00           O  
HETATM   15  C   UNL     1      -6.051   1.558  -0.068  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.743   1.576   0.728  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.431  -0.781   0.412  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.819   2.655   1.810  1.00  0.00           C  
HETATM   19  O   UNL     1       2.039  -1.490   0.459  1.00  0.00           O  
HETATM   20  C   UNL     1       3.039  -0.774  -0.267  1.00  0.00           C  
HETATM   21  C   UNL     1       4.390  -0.932   0.434  1.00  0.00           C  
HETATM   22  C   UNL     1       5.461  -0.164  -0.343  1.00  0.00           C  
HETATM   23  C   UNL     1       6.812  -0.323   0.358  1.00  0.00           C  
HETATM   24  C   UNL     1       7.883   0.445  -0.419  1.00  0.00           C  
HETATM   25  C   UNL     1       9.233   0.286   0.282  1.00  0.00           C  
HETATM   26  C   UNL     1      10.305   1.054  -0.496  1.00  0.00           C  
HETATM   27  O   UNL     1       0.199  -3.667   0.564  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.553  -2.946   0.856  1.00  0.00           O  
HETATM   29  C   UNL     1      -1.398   1.625  -0.534  1.00  0.00           C  
HETATM   30  O   UNL     1      -0.491   2.398  -1.324  1.00  0.00           O  
HETATM   31  C   UNL     1      11.655   0.895   0.205  1.00  0.00           C  
HETATM   32  C   UNL     1      12.726   1.663  -0.572  1.00  0.00           C  
HETATM   33  H   UNL     1      -0.235  -2.007   1.717  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.641  -2.512  -0.948  1.00  0.00           H  
HETATM   35  H   UNL     1      -7.034   2.872  -1.255  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.098  -0.360   1.171  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.428  -2.808  -0.983  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.008  -0.160  -1.675  1.00  0.00           H  
HETATM   39  H   UNL     1      -7.272  -0.329  -2.478  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.557  -1.119   0.273  1.00  0.00           H  
HETATM   41  H   UNL     1       0.770  -1.733  -1.154  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.533   3.416   3.177  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.188   0.637  -1.817  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.888   1.383   0.609  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.912   1.792   0.056  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.260  -1.710   0.955  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.593   2.392   2.532  1.00  0.00           H  
HETATM   48  H   UNL     1      -5.060   3.614   1.351  1.00  0.00           H  
HETATM   49  H   UNL     1       3.107  -1.170  -1.280  1.00  0.00           H  
HETATM   50  H   UNL     1       2.772   0.283  -0.306  1.00  0.00           H  
HETATM   51  H   UNL     1       4.322  -0.536   1.447  1.00  0.00           H  
HETATM   52  H   UNL     1       4.656  -1.988   0.474  1.00  0.00           H  
HETATM   53  H   UNL     1       5.529  -0.561  -1.356  1.00  0.00           H  
HETATM   54  H   UNL     1       5.194   0.892  -0.383  1.00  0.00           H  
HETATM   55  H   UNL     1       6.744   0.073   1.371  1.00  0.00           H  
HETATM   56  H   UNL     1       7.078  -1.379   0.398  1.00  0.00           H  
HETATM   57  H   UNL     1       7.950   0.049  -1.433  1.00  0.00           H  
HETATM   58  H   UNL     1       7.616   1.501  -0.459  1.00  0.00           H  
HETATM   59  H   UNL     1       9.166   0.682   1.295  1.00  0.00           H  
HETATM   60  H   UNL     1       9.500  -0.770   0.322  1.00  0.00           H  
HETATM   61  H   UNL     1      10.372   0.658  -1.509  1.00  0.00           H  
HETATM   62  H   UNL     1      10.038   2.110  -0.535  1.00  0.00           H  
HETATM   63  H   UNL     1       1.085  -3.829   0.915  1.00  0.00           H  
HETATM   64  H   UNL     1      -2.346  -3.891   0.876  1.00  0.00           H  
HETATM   65  H   UNL     1      -2.413   1.767  -0.904  1.00  0.00           H  
HETATM   66  H   UNL     1      -1.341   1.949   0.505  1.00  0.00           H  
HETATM   67  H   UNL     1      -0.670   3.348  -1.312  1.00  0.00           H  
HETATM   68  H   UNL     1      11.588   1.291   1.219  1.00  0.00           H  
HETATM   69  H   UNL     1      11.922  -0.161   0.245  1.00  0.00           H  
HETATM   70  H   UNL     1      12.794   1.267  -1.585  1.00  0.00           H  
HETATM   71  H   UNL     1      12.460   2.719  -0.612  1.00  0.00           H  
HETATM   72  H   UNL     1      13.689   1.550  -0.073  1.00  0.00           H  
CONECT    1    3   11   27   33                                       
CONECT    2   16   17                                                 
CONECT    3    1    5   28   34                                       
CONECT    4   15   35                                                 
CONECT    5    3   14    7   36                                       
CONECT    6    9   37                                                 
CONECT    7    5   29   10   38                                       
CONECT    8   13   39                                                 
CONECT    9    6   13   17   40                                       
CONECT   10    7   11                                                 
CONECT   11    1   10   19   41                                       
CONECT   12   18   42                                                 
CONECT   13    9    8   15   43                                       
CONECT   14    5   17                                                 
CONECT   15    4   13   16   44                                       
CONECT   16    2   15   18   45                                       
CONECT   17   14    2    9   46                                       
CONECT   18   12   16   47   48                                       
CONECT   19   11   20                                                 
CONECT   20   19   21   49   50                                       
CONECT   21   20   22   51   52                                       
CONECT   22   21   23   53   54                                       
CONECT   23   22   24   55   56                                       
CONECT   24   23   25   57   58                                       
CONECT   25   24   26   59   60                                       
CONECT   26   25   31   61   62                                       
CONECT   27    1   63                                                 
CONECT   28    3   64                                                 
CONECT   29    7   30   65   66                                       
CONECT   30   29   67                                                 
CONECT   31   26   32   68   69                                       
CONECT   32   31   72   70   71                                       
CONECT   33    1                                                      
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39    8                                                      
CONECT   40    9                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   24                                                      
CONECT   58   24                                                      
CONECT   59   25                                                      
CONECT   60   25                                                      
CONECT   61   26                                                      
CONECT   62   26                                                      
CONECT   63   27                                                      
CONECT   64   28                                                      
CONECT   65   29                                                      
CONECT   66   29                                                      
CONECT   67   30                                                      
CONECT   68   31                                                      
CONECT   69   31                                                      
CONECT   70   32                                                      
CONECT   71   32                                                      
CONECT   72   32                                                      
MASTER        0    0    0    0    0    0    0    0   72    0   72    0
END
