COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -7.773   2.139   1.237  1.00  0.00           C  
HETATM    2  O   UNL     1      -7.444   0.751   1.142  1.00  0.00           O  
HETATM    3  C   UNL     1      -6.220   0.440   0.638  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.353   1.450   0.249  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.110   1.134  -0.263  1.00  0.00           C  
HETATM    6  C   UNL     1      -5.837  -0.888   0.519  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.594  -1.206   0.008  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.728  -0.195  -0.387  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.468  -0.516  -0.906  1.00  0.00           N  
HETATM   10  C   UNL     1      -2.271  -1.971  -0.949  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.919  -2.282  -1.595  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.400   0.135  -0.135  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.047  -0.176  -0.780  1.00  0.00           C  
HETATM   14  N   UNL     1       0.150  -1.631  -0.823  1.00  0.00           N  
HETATM   15  C   UNL     1       1.472  -1.968  -1.368  1.00  0.00           C  
HETATM   16  C   UNL     1       2.542  -1.493  -0.419  1.00  0.00           C  
HETATM   17  C   UNL     1       3.079  -2.333   0.503  1.00  0.00           C  
HETATM   18  C   UNL     1       4.079  -1.864   1.380  1.00  0.00           C  
HETATM   19  O   UNL     1       4.552  -2.628   2.203  1.00  0.00           O  
HETATM   20  O   UNL     1       4.523  -0.599   1.332  1.00  0.00           O  
HETATM   21  C   UNL     1       4.031   0.287   0.438  1.00  0.00           C  
HETATM   22  C   UNL     1       3.035  -0.115  -0.471  1.00  0.00           C  
HETATM   23  C   UNL     1       2.527   0.798  -1.402  1.00  0.00           C  
HETATM   24  C   UNL     1       3.003   2.078  -1.430  1.00  0.00           C  
HETATM   25  C   UNL     1       3.992   2.483  -0.538  1.00  0.00           C  
HETATM   26  O   UNL     1       4.455   3.759  -0.579  1.00  0.00           O  
HETATM   27  C   UNL     1       4.501   1.595   0.401  1.00  0.00           C  
HETATM   28  O   UNL     1       5.468   1.998   1.270  1.00  0.00           O  
HETATM   29  H   UNL     1      -8.774   2.247   1.653  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.054   2.639   1.884  1.00  0.00           H  
HETATM   31  H   UNL     1      -7.742   2.588   0.244  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.651   2.484   0.346  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.435   1.921  -0.567  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.511  -1.674   0.827  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.296  -2.240  -0.084  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.291  -2.371   0.064  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.068  -2.428  -1.536  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.758  -3.360  -1.602  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.909  -1.906  -2.618  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.561   1.213  -0.128  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.409  -0.241   0.888  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.027   0.224  -1.794  1.00  0.00           H  
HETATM   43  H   UNL     1       0.749   0.282  -0.193  1.00  0.00           H  
HETATM   44  H   UNL     1       1.550  -3.048  -1.492  1.00  0.00           H  
HETATM   45  H   UNL     1       1.601  -1.481  -2.335  1.00  0.00           H  
HETATM   46  H   UNL     1       2.740  -3.356   0.566  1.00  0.00           H  
HETATM   47  H   UNL     1       1.759   0.491  -2.097  1.00  0.00           H  
HETATM   48  H   UNL     1       2.609   2.780  -2.149  1.00  0.00           H  
HETATM   49  H   UNL     1       3.967   4.372  -0.012  1.00  0.00           H  
HETATM   50  H   UNL     1       6.369   1.875   0.940  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    6                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    8    8   33                                       
CONECT    6    3    7    7   34                                       
CONECT    7    6    6    8   35                                       
CONECT    8    5    5    7    9                                       
CONECT    9    8   10   12                                            
CONECT   10    9   11   36   37                                       
CONECT   11   10   14   38   39                                       
CONECT   12    9   13   40   41                                       
CONECT   13   12   14   42   43                                       
CONECT   14   11   13   15                                            
CONECT   15   14   16   44   45                                       
CONECT   16   15   17   17   22                                       
CONECT   17   16   16   18   46                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   21                                                 
CONECT   21   22   20   27   27                                       
CONECT   22   16   23   23   21                                       
CONECT   23   22   22   24   47                                       
CONECT   24   23   25   25   48                                       
CONECT   25   24   24   27   26                                       
CONECT   26   25   49                                                 
CONECT   27   21   21   25   28                                       
CONECT   28   27   50                                                 
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   15                                                      
CONECT   45   15                                                      
CONECT   46   17                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   26                                                      
CONECT   50   28                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
