COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.029  -0.068  -0.360  1.00  0.00           O  
HETATM    2  C   UNL     1       0.850   0.638  -1.107  1.00  0.00           C  
HETATM    3  C   UNL     1       1.797   1.562  -0.365  1.00  0.00           C  
HETATM    4  O   UNL     1       0.880   0.537  -2.310  1.00  0.00           O  
HETATM    5  C   UNL     1       0.974   2.324   0.651  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.257   1.783   1.071  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.722   0.629   0.562  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.053   0.102   1.034  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.860  -1.278   1.666  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.008  -0.011  -0.156  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.394  -0.427   0.340  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.349  -0.540  -0.850  1.00  0.00           C  
HETATM   13  C   UNL     1      -6.714  -0.950  -0.361  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.972  -0.596  -0.219  1.00  0.00           C  
HETATM   15  C   UNL     1     -11.333  -0.303  -0.021  1.00  0.00           C  
HETATM   16  C   UNL     1       2.859   0.753   0.335  1.00  0.00           C  
HETATM   17  C   UNL     1       4.062   0.446  -0.329  1.00  0.00           C  
HETATM   18  C   UNL     1       4.288   0.927  -1.740  1.00  0.00           C  
HETATM   19  C   UNL     1       5.019  -0.282   0.301  1.00  0.00           C  
HETATM   20  C   UNL     1       6.267  -0.600  -0.388  1.00  0.00           C  
HETATM   21  C   UNL     1       7.208  -1.317   0.233  1.00  0.00           C  
HETATM   22  C   UNL     1       6.983  -1.797   1.643  1.00  0.00           C  
HETATM   23  C   UNL     1       8.496  -1.645  -0.478  1.00  0.00           C  
HETATM   24  C   UNL     1       9.560  -0.608  -0.111  1.00  0.00           C  
HETATM   25  C   UNL     1      10.867  -0.942  -0.832  1.00  0.00           C  
HETATM   26  N   UNL     1      -7.751  -0.230  -0.656  1.00  0.00           N  
HETATM   27  O   UNL     1     -10.050   0.152  -0.526  1.00  0.00           O  
HETATM   28  O   UNL     1      -9.101  -1.602   0.451  1.00  0.00           O  
HETATM   29  O   UNL     1       1.369   3.383   1.096  1.00  0.00           O  
HETATM   30  O   UNL     1       2.677   0.366   1.472  1.00  0.00           O  
HETATM   31  H   UNL     1       2.261   2.257  -1.064  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.838   2.306   1.817  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.473   0.785   1.773  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.440  -1.960   0.927  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.179  -1.197   2.514  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.822  -1.659   2.007  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.076   0.953  -0.660  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.632  -0.760  -0.853  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.326  -1.391   0.844  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.770   0.322   1.038  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.417   0.424  -1.354  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.973  -1.289  -1.547  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.829  -1.843   0.235  1.00  0.00           H  
HETATM   44  H   UNL     1     -12.114   0.388  -0.339  1.00  0.00           H  
HETATM   45  H   UNL     1     -11.546  -1.297  -0.414  1.00  0.00           H  
HETATM   46  H   UNL     1     -11.303  -0.340   1.068  1.00  0.00           H  
HETATM   47  H   UNL     1       4.763   1.907  -1.718  1.00  0.00           H  
HETATM   48  H   UNL     1       4.933   0.222  -2.264  1.00  0.00           H  
HETATM   49  H   UNL     1       3.331   0.997  -2.257  1.00  0.00           H  
HETATM   50  H   UNL     1       4.857  -0.626   1.312  1.00  0.00           H  
HETATM   51  H   UNL     1       6.429  -0.256  -1.398  1.00  0.00           H  
HETATM   52  H   UNL     1       6.508  -2.778   1.622  1.00  0.00           H  
HETATM   53  H   UNL     1       7.939  -1.867   2.161  1.00  0.00           H  
HETATM   54  H   UNL     1       6.337  -1.092   2.168  1.00  0.00           H  
HETATM   55  H   UNL     1       8.835  -2.636  -0.176  1.00  0.00           H  
HETATM   56  H   UNL     1       8.331  -1.630  -1.555  1.00  0.00           H  
HETATM   57  H   UNL     1       9.221   0.383  -0.413  1.00  0.00           H  
HETATM   58  H   UNL     1       9.725  -0.623   0.966  1.00  0.00           H  
HETATM   59  H   UNL     1      11.625  -0.203  -0.571  1.00  0.00           H  
HETATM   60  H   UNL     1      11.206  -1.933  -0.530  1.00  0.00           H  
HETATM   61  H   UNL     1      10.702  -0.927  -1.910  1.00  0.00           H  
CONECT    1    7    2                                                 
CONECT    2    1    3    4    4                                       
CONECT    3    2    5   16   31                                       
CONECT    4    2    2                                                 
CONECT    5    3   29   29    6                                       
CONECT    6    5    7    7   32                                       
CONECT    7    1    6    6    8                                       
CONECT    8    7    9   10   33                                       
CONECT    9    8   34   35   36                                       
CONECT   10    8   11   37   38                                       
CONECT   11   10   12   39   40                                       
CONECT   12   11   13   41   42                                       
CONECT   13   12   26   26   43                                       
CONECT   14   26   28   28   27                                       
CONECT   15   27   44   45   46                                       
CONECT   16    3   30   30   17                                       
CONECT   17   16   18   19   19                                       
CONECT   18   17   47   48   49                                       
CONECT   19   17   17   20   50                                       
CONECT   20   19   21   21   51                                       
CONECT   21   20   20   22   23                                       
CONECT   22   21   52   53   54                                       
CONECT   23   21   24   55   56                                       
CONECT   24   23   25   57   58                                       
CONECT   25   24   59   60   61                                       
CONECT   26   13   13   14                                            
CONECT   27   14   15                                                 
CONECT   28   14   14                                                 
CONECT   29    5    5                                                 
CONECT   30   16   16                                                 
CONECT   31    3                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   10                                                      
CONECT   38   10                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   15                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   20                                                      
CONECT   52   22                                                      
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   25                                                      
MASTER        0    0    0    0    0    0    0    0   61    0   61    0
END
