COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.474   0.273  -3.278  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.212   0.202  -4.417  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.218  -0.302  -3.231  1.00  0.00           C  
HETATM    4  C   UNL     1      -0.452  -0.236  -2.066  1.00  0.00           C  
HETATM    5  O   UNL     1       0.751  -0.833  -2.069  1.00  0.00           O  
HETATM    6  C   UNL     1       1.654  -0.279  -1.240  1.00  0.00           C  
HETATM    7  C   UNL     1       3.005  -0.404  -1.566  1.00  0.00           C  
HETATM    8  C   UNL     1       3.978   0.110  -0.730  1.00  0.00           C  
HETATM    9  O   UNL     1       5.291  -0.017  -1.057  1.00  0.00           O  
HETATM   10  C   UNL     1       3.616   0.757   0.443  1.00  0.00           C  
HETATM   11  C   UNL     1       2.280   0.889   0.765  1.00  0.00           C  
HETATM   12  C   UNL     1       1.307   0.379  -0.073  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.145   0.551   0.292  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.965   0.431  -0.967  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.223   1.003  -1.012  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.983   0.925  -2.163  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.554  -0.521   1.269  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.566  -1.844   0.877  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.941  -2.830   1.773  1.00  0.00           C  
HETATM   20  C   UNL     1      -1.300  -2.498   3.067  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.286  -1.180   3.473  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.909  -0.180   2.575  1.00  0.00           C  
HETATM   23  C   UNL     1      -0.893   1.233   3.003  1.00  0.00           C  
HETATM   24  O   UNL     1       0.013   1.963   2.654  1.00  0.00           O  
HETATM   25  O   UNL     1      -1.883   1.714   3.779  1.00  0.00           O  
HETATM   26  H   UNL     1      -3.739  -0.606  -4.358  1.00  0.00           H  
HETATM   27  H   UNL     1      -0.827  -0.807  -4.102  1.00  0.00           H  
HETATM   28  H   UNL     1       3.292  -0.906  -2.478  1.00  0.00           H  
HETATM   29  H   UNL     1       5.596  -0.849  -0.669  1.00  0.00           H  
HETATM   30  H   UNL     1       4.375   1.156   1.100  1.00  0.00           H  
HETATM   31  H   UNL     1       1.994   1.393   1.676  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.299   1.533   0.739  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.613   1.513  -0.144  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.966   1.369  -2.195  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.287  -2.110  -0.131  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.953  -3.864   1.460  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.591  -3.273   3.761  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.566  -0.922   4.484  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.872   2.639   4.060  1.00  0.00           H  
CONECT    1    2    3    3   16                                       
CONECT    2    1   26                                                 
CONECT    3    1    1    4   27                                       
CONECT    4    3    5   14   14                                       
CONECT    5    4    6                                                 
CONECT    6    5    7    7   12                                       
CONECT    7    6    6    8   28                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8   29                                                 
CONECT   10    8    8   11   30                                       
CONECT   11   10   12   12   31                                       
CONECT   12    6   11   11   13                                       
CONECT   13   12   14   17   32                                       
CONECT   14    4    4   13   15                                       
CONECT   15   14   16   16   33                                       
CONECT   16    1   15   15   34                                       
CONECT   17   13   18   18   22                                       
CONECT   18   17   17   19   35                                       
CONECT   19   18   20   20   36                                       
CONECT   20   19   19   21   37                                       
CONECT   21   20   22   22   38                                       
CONECT   22   17   21   21   23                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   39                                                 
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   13                                                      
CONECT   33   15                                                      
CONECT   34   16                                                      
CONECT   35   18                                                      
CONECT   36   19                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   25                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
