COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.906   2.106  -0.724  1.00  0.00           C  
HETATM    2  O   UNL     1       6.170   0.855  -0.087  1.00  0.00           O  
HETATM    3  C   UNL     1       5.125  -0.006   0.040  1.00  0.00           C  
HETATM    4  C   UNL     1       3.874   0.346  -0.438  1.00  0.00           C  
HETATM    5  C   UNL     1       5.312  -1.246   0.645  1.00  0.00           C  
HETATM    6  O   UNL     1       6.540  -1.598   1.111  1.00  0.00           O  
HETATM    7  C   UNL     1       4.245  -2.119   0.771  1.00  0.00           C  
HETATM    8  C   UNL     1       2.997  -1.760   0.297  1.00  0.00           C  
HETATM    9  C   UNL     1       2.812  -0.531  -0.309  1.00  0.00           C  
HETATM   10  C   UNL     1       1.451  -0.147  -0.829  1.00  0.00           C  
HETATM   11  C   UNL     1       0.595   0.462   0.303  1.00  0.00           C  
HETATM   12  C   UNL     1       0.625   1.990   0.235  1.00  0.00           C  
HETATM   13  O   UNL     1       1.945   2.454   0.525  1.00  0.00           O  
HETATM   14  O   UNL     1       0.724  -1.321  -1.252  1.00  0.00           O  
HETATM   15  C   UNL     1      -0.666  -0.929  -1.250  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.830  -0.064   0.020  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.789   1.099  -0.243  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.191   0.569  -0.394  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.007   0.451   0.715  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.662   0.208  -1.643  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.948  -0.278  -1.787  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.769  -0.404  -0.678  1.00  0.00           C  
HETATM   23  O   UNL     1      -7.034  -0.882  -0.818  1.00  0.00           O  
HETATM   24  C   UNL     1      -5.297  -0.036   0.578  1.00  0.00           C  
HETATM   25  O   UNL     1      -6.101  -0.153   1.669  1.00  0.00           O  
HETATM   26  C   UNL     1      -5.550   0.244   2.927  1.00  0.00           C  
HETATM   27  H   UNL     1       6.821   2.696  -0.760  1.00  0.00           H  
HETATM   28  H   UNL     1       5.547   1.929  -1.738  1.00  0.00           H  
HETATM   29  H   UNL     1       5.147   2.648  -0.160  1.00  0.00           H  
HETATM   30  H   UNL     1       3.727   1.305  -0.912  1.00  0.00           H  
HETATM   31  H   UNL     1       6.699  -1.346   2.031  1.00  0.00           H  
HETATM   32  H   UNL     1       4.387  -3.082   1.240  1.00  0.00           H  
HETATM   33  H   UNL     1       2.165  -2.442   0.396  1.00  0.00           H  
HETATM   34  H   UNL     1       1.547   0.560  -1.654  1.00  0.00           H  
HETATM   35  H   UNL     1       0.946   0.117   1.275  1.00  0.00           H  
HETATM   36  H   UNL     1       0.337   2.316  -0.764  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.072   2.400   0.966  1.00  0.00           H  
HETATM   38  H   UNL     1       2.038   3.416   0.500  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.896  -0.343  -2.140  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.308  -1.808  -1.196  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.185  -0.672   0.853  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.752   1.797   0.593  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.494   1.612  -1.159  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.639   0.737   1.689  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.023   0.306  -2.509  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.313  -0.559  -2.764  1.00  0.00           H  
HETATM   47  H   UNL     1      -7.104  -1.843  -0.732  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.670  -0.361   3.145  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.266   1.295   2.884  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.293   0.100   3.711  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3    9   30                                       
CONECT    5    3    6    7    7                                       
CONECT    6    5   31                                                 
CONECT    7    5    5    8   32                                       
CONECT    8    7    9    9   33                                       
CONECT    9    4    8    8   10                                       
CONECT   10    9   11   14   34                                       
CONECT   11   10   12   16   35                                       
CONECT   12   11   13   36   37                                       
CONECT   13   12   38                                                 
CONECT   14   10   15                                                 
CONECT   15   14   16   39   40                                       
CONECT   16   11   15   17   41                                       
CONECT   17   16   18   42   43                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18   24   44                                       
CONECT   20   18   21   21   45                                       
CONECT   21   20   20   22   46                                       
CONECT   22   21   23   24   24                                       
CONECT   23   22   47                                                 
CONECT   24   19   22   22   25                                       
CONECT   25   24   26                                                 
CONECT   26   25   48   49   50                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   12                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
