COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.062   0.581  -0.464  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.530  -0.683  -0.336  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.919  -0.911  -0.180  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.778   0.133  -0.158  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.219  -0.104   0.004  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.704  -1.410   0.142  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.055  -1.629   0.295  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.939  -0.558   0.312  1.00  0.00           C  
HETATM    9  O   UNL     1      -8.270  -0.781   0.462  1.00  0.00           O  
HETATM   10  C   UNL     1      -6.463   0.746   0.175  1.00  0.00           C  
HETATM   11  O   UNL     1      -7.332   1.792   0.192  1.00  0.00           O  
HETATM   12  C   UNL     1      -6.776   3.100   0.047  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.110   0.975   0.027  1.00  0.00           C  
HETATM   14  C   UNL     1       0.345  -1.747  -0.359  1.00  0.00           C  
HETATM   15  C   UNL     1       1.729  -1.524  -0.210  1.00  0.00           C  
HETATM   16  O   UNL     1       2.141  -0.410   0.073  1.00  0.00           O  
HETATM   17  C   UNL     1       2.673  -2.630  -0.394  1.00  0.00           C  
HETATM   18  C   UNL     1       4.001  -2.394  -0.375  1.00  0.00           C  
HETATM   19  C   UNL     1       4.502  -1.012  -0.410  1.00  0.00           C  
HETATM   20  C   UNL     1       5.550  -0.624   0.434  1.00  0.00           C  
HETATM   21  C   UNL     1       6.017   0.675   0.396  1.00  0.00           C  
HETATM   22  O   UNL     1       7.034   1.056   1.213  1.00  0.00           O  
HETATM   23  C   UNL     1       7.573   0.060   2.086  1.00  0.00           C  
HETATM   24  C   UNL     1       5.445   1.597  -0.481  1.00  0.00           C  
HETATM   25  O   UNL     1       5.903   2.875  -0.513  1.00  0.00           O  
HETATM   26  C   UNL     1       4.406   1.213  -1.318  1.00  0.00           C  
HETATM   27  C   UNL     1       3.938  -0.083  -1.290  1.00  0.00           C  
HETATM   28  H   UNL     1       0.885   0.633  -0.653  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.292  -1.919  -0.078  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.405   1.141  -0.260  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.019  -2.245   0.129  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.429  -2.637   0.401  1.00  0.00           H  
HETATM   33  H   UNL     1      -8.567  -0.785   1.383  1.00  0.00           H  
HETATM   34  H   UNL     1      -6.074   3.289   0.859  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.254   3.169  -0.908  1.00  0.00           H  
HETATM   36  H   UNL     1      -7.576   3.840   0.078  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.740   1.985  -0.075  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.029  -2.751  -0.490  1.00  0.00           H  
HETATM   39  H   UNL     1       2.305  -3.634  -0.546  1.00  0.00           H  
HETATM   40  H   UNL     1       4.696  -3.220  -0.333  1.00  0.00           H  
HETATM   41  H   UNL     1       5.991  -1.338   1.113  1.00  0.00           H  
HETATM   42  H   UNL     1       6.788  -0.307   2.747  1.00  0.00           H  
HETATM   43  H   UNL     1       7.966  -0.767   1.494  1.00  0.00           H  
HETATM   44  H   UNL     1       8.376   0.495   2.681  1.00  0.00           H  
HETATM   45  H   UNL     1       5.450   3.470   0.101  1.00  0.00           H  
HETATM   46  H   UNL     1       3.967   1.930  -1.995  1.00  0.00           H  
HETATM   47  H   UNL     1       3.129  -0.379  -1.943  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    1   14   14    3                                       
CONECT    3    2    4    4   29                                       
CONECT    4    3    3    5   30                                       
CONECT    5    4   13   13    6                                       
CONECT    6    5    7    7   31                                       
CONECT    7    6    6    8   32                                       
CONECT    8   10   10    7    9                                       
CONECT    9    8   33                                                 
CONECT   10   13   11    8    8                                       
CONECT   11   10   12                                                 
CONECT   12   11   34   35   36                                       
CONECT   13    5    5   10   37                                       
CONECT   14   15    2    2   38                                       
CONECT   15   16   16   17   14                                       
CONECT   16   15   15                                                 
CONECT   17   18   18   15   39                                       
CONECT   18   19   17   17   40                                       
CONECT   19   20   27   27   18                                       
CONECT   20   21   21   19   41                                       
CONECT   21   22   24   20   20                                       
CONECT   22   23   21                                                 
CONECT   23   22   42   43   44                                       
CONECT   24   25   26   26   21                                       
CONECT   25   24   45                                                 
CONECT   26   24   24   27   46                                       
CONECT   27   26   19   19   47                                       
CONECT   28    1                                                      
CONECT   29    3                                                      
CONECT   30    4                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    9                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   12                                                      
CONECT   37   13                                                      
CONECT   38   14                                                      
CONECT   39   17                                                      
CONECT   40   18                                                      
CONECT   41   20                                                      
CONECT   42   23                                                      
CONECT   43   23                                                      
CONECT   44   23                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
