COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.974   3.032   0.427  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.013   4.372   0.569  1.00  0.00           O  
HETATM    3  C   UNL     1      -1.684   2.321   0.496  1.00  0.00           C  
HETATM    4  O   UNL     1      -4.002   2.410   0.245  1.00  0.00           O  
HETATM    5  C   UNL     1      -1.642   0.931   0.354  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.436   0.270   0.420  1.00  0.00           C  
HETATM    7  C   UNL     1       0.740   0.984   0.627  1.00  0.00           C  
HETATM    8  N   UNL     1       1.959   0.311   0.693  1.00  0.00           N  
HETATM    9  C   UNL     1       0.701   2.368   0.770  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.500   3.036   0.700  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.390  -1.229   0.266  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.719  -1.723  -0.117  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.040  -1.352  -1.501  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.542  -1.520  -1.740  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.876  -1.134  -3.182  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.816  -3.176   0.075  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.959  -3.486   1.566  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.999  -5.002   1.770  1.00  0.00           C  
HETATM   19  C   UNL     1       2.432  -0.296   1.795  1.00  0.00           C  
HETATM   20  O   UNL     1       1.859  -0.342   2.863  1.00  0.00           O  
HETATM   21  C   UNL     1       3.783  -0.914   1.510  1.00  0.00           C  
HETATM   22  C   UNL     1       4.241  -0.235   0.198  1.00  0.00           C  
HETATM   23  C   UNL     1       2.888   0.170  -0.434  1.00  0.00           C  
HETATM   24  C   UNL     1       2.407  -0.918  -1.395  1.00  0.00           C  
HETATM   25  O   UNL     1       3.423  -1.181  -2.365  1.00  0.00           O  
HETATM   26  C   UNL     1       3.026   1.505  -1.169  1.00  0.00           C  
HETATM   27  O   UNL     1       3.981   1.371  -2.224  1.00  0.00           O  
HETATM   28  H   UNL     1      -3.882   4.793   0.520  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.555   0.376   0.194  1.00  0.00           H  
HETATM   30  H   UNL     1       1.616   2.919   0.931  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.529   4.110   0.810  1.00  0.00           H  
HETATM   32  H   UNL     1       0.332  -1.493  -0.506  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.093  -1.681   1.212  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.759  -0.312  -1.673  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.489  -1.995  -2.187  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.822  -2.560  -1.568  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.093  -0.877  -1.054  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.946  -1.254  -3.352  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.595  -0.095  -3.354  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.325  -1.777  -3.868  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.686  -3.556  -0.461  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.915  -3.654  -0.311  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.110  -3.069   2.107  1.00  0.00           H  
HETATM   44  H   UNL     1      -2.882  -3.044   1.941  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.794  -5.430   1.160  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.042  -5.433   1.476  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.188  -5.222   2.821  1.00  0.00           H  
HETATM   48  H   UNL     1       4.481  -0.694   2.317  1.00  0.00           H  
HETATM   49  H   UNL     1       3.688  -1.991   1.371  1.00  0.00           H  
HETATM   50  H   UNL     1       4.856   0.640   0.406  1.00  0.00           H  
HETATM   51  H   UNL     1       4.772  -0.940  -0.442  1.00  0.00           H  
HETATM   52  H   UNL     1       2.193  -1.829  -0.836  1.00  0.00           H  
HETATM   53  H   UNL     1       1.501  -0.582  -1.900  1.00  0.00           H  
HETATM   54  H   UNL     1       3.185  -1.863  -3.009  1.00  0.00           H  
HETATM   55  H   UNL     1       2.061   1.790  -1.587  1.00  0.00           H  
HETATM   56  H   UNL     1       3.361   2.272  -0.471  1.00  0.00           H  
HETATM   57  H   UNL     1       4.119   2.181  -2.734  1.00  0.00           H  
CONECT    1    3    4    4    2                                       
CONECT    2    1   28                                                 
CONECT    3    1    5    5   10                                       
CONECT    4    1    1                                                 
CONECT    5    3    3    6   29                                       
CONECT    6    5   11    7    7                                       
CONECT    7    6    6    8    9                                       
CONECT    8    7   23   19                                            
CONECT    9    7   10   10   30                                       
CONECT   10    3    9    9   31                                       
CONECT   11    6   12   32   33                                       
CONECT   12   11   13   16                                            
CONECT   13   12   14   34   35                                       
CONECT   14   13   15   36   37                                       
CONECT   15   14   38   39   40                                       
CONECT   16   12   17   41   42                                       
CONECT   17   16   18   43   44                                       
CONECT   18   17   45   46   47                                       
CONECT   19    8   21   20   20                                       
CONECT   20   19   19                                                 
CONECT   21   19   22   48   49                                       
CONECT   22   21   23   50   51                                       
CONECT   23    8   22   26   24                                       
CONECT   24   23   25   52   53                                       
CONECT   25   24   54                                                 
CONECT   26   23   27   55   56                                       
CONECT   27   26   57                                                 
CONECT   28    2                                                      
CONECT   29    5                                                      
CONECT   30    9                                                      
CONECT   31   10                                                      
CONECT   32   11                                                      
CONECT   33   11                                                      
CONECT   34   13                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   15                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   18                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   21                                                      
CONECT   49   21                                                      
CONECT   50   22                                                      
CONECT   51   22                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   25                                                      
CONECT   55   26                                                      
CONECT   56   26                                                      
CONECT   57   27                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
