COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.735  -0.592  -1.386  1.00  0.00           C  
HETATM    2  O   UNL     1       5.028   0.558  -0.919  1.00  0.00           O  
HETATM    3  C   UNL     1       3.771   0.357  -0.440  1.00  0.00           C  
HETATM    4  C   UNL     1       3.235  -0.916  -0.421  1.00  0.00           C  
HETATM    5  C   UNL     1       1.942  -1.121   0.072  1.00  0.00           C  
HETATM    6  C   UNL     1       1.368  -2.479   0.094  1.00  0.00           C  
HETATM    7  O   UNL     1       2.100  -3.449   0.084  1.00  0.00           O  
HETATM    8  C   UNL     1      -0.102  -2.660   0.129  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.636  -3.939   0.287  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.013  -4.099   0.319  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.813  -2.977   0.191  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.214  -1.725   0.035  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.064  -0.516  -0.102  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.418  -0.574   0.222  1.00  0.00           C  
HETATM   15  C   UNL     1      -5.207   0.552   0.094  1.00  0.00           C  
HETATM   16  C   UNL     1      -4.657   1.737  -0.358  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.524   2.963  -0.496  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.310   1.803  -0.683  1.00  0.00           C  
HETATM   19  O   UNL     1      -2.774   2.971  -1.126  1.00  0.00           O  
HETATM   20  C   UNL     1      -2.510   0.680  -0.551  1.00  0.00           C  
HETATM   21  N   UNL     1      -0.897  -1.604   0.015  1.00  0.00           N  
HETATM   22  C   UNL     1       1.196  -0.037   0.545  1.00  0.00           C  
HETATM   23  C   UNL     1       1.737   1.234   0.523  1.00  0.00           C  
HETATM   24  O   UNL     1       1.015   2.288   0.988  1.00  0.00           O  
HETATM   25  C   UNL     1      -0.243   1.994   1.598  1.00  0.00           C  
HETATM   26  C   UNL     1       3.027   1.435   0.036  1.00  0.00           C  
HETATM   27  O   UNL     1       3.557   2.686   0.016  1.00  0.00           O  
HETATM   28  C   UNL     1       4.280   3.103   1.177  1.00  0.00           C  
HETATM   29  H   UNL     1       5.181  -1.053  -2.203  1.00  0.00           H  
HETATM   30  H   UNL     1       6.722  -0.293  -1.740  1.00  0.00           H  
HETATM   31  H   UNL     1       5.844  -1.308  -0.571  1.00  0.00           H  
HETATM   32  H   UNL     1       3.813  -1.751  -0.787  1.00  0.00           H  
HETATM   33  H   UNL     1       0.016  -4.794   0.384  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.451  -5.078   0.440  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.889  -3.069   0.211  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.851  -1.499   0.575  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.256   0.506   0.345  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.512   3.523   0.439  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.141   3.590  -1.301  1.00  0.00           H  
HETATM   40  H   UNL     1      -6.546   2.661  -0.725  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.429   3.537  -0.422  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.460   0.730  -0.800  1.00  0.00           H  
HETATM   43  H   UNL     1       0.198  -0.192   0.925  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.754   2.925   1.844  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.856   1.415   0.906  1.00  0.00           H  
HETATM   46  H   UNL     1      -0.080   1.417   2.508  1.00  0.00           H  
HETATM   47  H   UNL     1       4.648   4.118   1.030  1.00  0.00           H  
HETATM   48  H   UNL     1       3.619   3.078   2.044  1.00  0.00           H  
HETATM   49  H   UNL     1       5.122   2.431   1.342  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2    3    1                                                 
CONECT    3   26    2    4    4                                       
CONECT    4    3    3    5   32                                       
CONECT    5   22   22    4    6                                       
CONECT    6    5    7    7    8                                       
CONECT    7    6    6                                                 
CONECT    8    6   21   21    9                                       
CONECT    9    8   10   10   33                                       
CONECT   10    9    9   11   34                                       
CONECT   11   12   12   10   35                                       
CONECT   12   21   13   11   11                                       
CONECT   13   14   12   20   20                                       
CONECT   14   15   15   13   36                                       
CONECT   15   14   14   16   37                                       
CONECT   16   15   17   18   18                                       
CONECT   17   16   38   39   40                                       
CONECT   18   16   16   20   19                                       
CONECT   19   18   41                                                 
CONECT   20   13   13   18   42                                       
CONECT   21    8    8   12                                            
CONECT   22   23    5    5   43                                       
CONECT   23   24   26   26   22                                       
CONECT   24   25   23                                                 
CONECT   25   24   44   45   46                                       
CONECT   26   27   23   23    3                                       
CONECT   27   28   26                                                 
CONECT   28   27   47   48   49                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    4                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   17                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   22                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   25                                                      
CONECT   47   28                                                      
CONECT   48   28                                                      
CONECT   49   28                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
