COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNK A   0      -6.400   1.433  -0.280  1.00  0.00           C  
HETATM    2  N   UNK A   1      -3.232  -0.473   0.075  1.00  0.00           N  
HETATM    3  O   UNK A   0      -6.054   2.287  -1.277  1.00  0.00           O  
HETATM    4  C   UNK A   0       6.419   1.189   0.251  1.00  0.00           C  
HETATM    5  N   UNK A   1       3.177  -0.611   0.447  1.00  0.00           N  
HETATM    6  O   UNK A   0       7.276   0.165   0.493  1.00  0.00           O  
HETATM    7  C   UNK A   0      -7.676   1.482   0.271  1.00  0.00           C  
HETATM    8  O   UNK A   0      -8.580   2.389  -0.186  1.00  0.00           O  
HETATM    9  C   UNK A   0       6.909   2.471   0.017  1.00  0.00           C  
HETATM   10  O   UNK A   0       8.249   2.699   0.031  1.00  0.00           O  
HETATM   11  C   UNK A   0      -8.027   0.605   1.284  1.00  0.00           C  
HETATM   12  O   UNK A   0      -3.804   1.192  -1.279  1.00  0.00           O  
HETATM   13  C   UNK A   0       6.031   3.513  -0.229  1.00  0.00           C  
HETATM   14  O   UNK A   0       5.269  -1.317   0.686  1.00  0.00           O  
HETATM   15  C   UNK A   0      -7.112  -0.322   1.754  1.00  0.00           C  
HETATM   16  O   UNK A   1      -1.340  -1.459   1.597  1.00  0.00           O  
HETATM   17  C   UNK A   0       4.664   3.287  -0.245  1.00  0.00           C  
HETATM   18  O   UNK A   1       3.051  -2.215  -1.623  1.00  0.00           O  
HETATM   19  C   UNK A   0      -5.843  -0.382   1.219  1.00  0.00           C  
HETATM   20  O   UNK A   1       2.207  -4.000  -0.630  1.00  0.00           O  
HETATM   21  C   UNK A   0       4.164   2.024  -0.016  1.00  0.00           C  
HETATM   22  O   UNK A   1       0.360  -1.284   0.197  1.00  0.00           O  
HETATM   23  C   UNK A   0      -5.475   0.496   0.196  1.00  0.00           C  
HETATM   24  C   UNK A   0       5.038   0.961   0.229  1.00  0.00           C  
HETATM   25  C   UNK A   0      -4.120   0.431  -0.385  1.00  0.00           C  
HETATM   26  C   UNK A   0       4.507  -0.395   0.468  1.00  0.00           C  
HETATM   27  C   UNK A   1      -1.887  -0.538  -0.502  1.00  0.00           C  
HETATM   28  C   UNK A   1       2.649  -1.957   0.684  1.00  0.00           C  
HETATM   29  C   UNK A   1      -0.936  -1.127   0.508  1.00  0.00           C  
HETATM   30  C   UNK A   1       2.651  -2.733  -0.608  1.00  0.00           C  
HETATM   31  C   UNK A   1       1.219  -1.857   1.218  1.00  0.00           C  
HETATM   32  H   UNK A   1      -3.484  -1.081   0.788  1.00  0.00           H  
HETATM   33  H   UNK A   0      -6.239   1.950  -2.165  1.00  0.00           H  
HETATM   34  H   UNK A   1       2.568   0.124   0.273  1.00  0.00           H  
HETATM   35  H   UNK A   0       7.566  -0.301  -0.303  1.00  0.00           H  
HETATM   36  H   UNK A   0      -9.123   2.069  -0.919  1.00  0.00           H  
HETATM   37  H   UNK A   0       8.675   2.593  -0.831  1.00  0.00           H  
HETATM   38  H   UNK A   0      -9.018   0.645   1.710  1.00  0.00           H  
HETATM   39  H   UNK A   0       6.414   4.506  -0.410  1.00  0.00           H  
HETATM   40  H   UNK A   0      -7.393  -1.002   2.545  1.00  0.00           H  
HETATM   41  H   UNK A   0       3.987   4.106  -0.439  1.00  0.00           H  
HETATM   42  H   UNK A   0      -5.134  -1.107   1.590  1.00  0.00           H  
HETATM   43  H   UNK A   1       2.228  -4.457  -1.482  1.00  0.00           H  
HETATM   44  H   UNK A   0       3.098   1.855  -0.029  1.00  0.00           H  
HETATM   45  C   UNK A   1      -1.911  -1.417  -1.754  1.00  0.00           C  
HETATM   46  H   UNK A   1      -1.558   0.466  -0.768  1.00  0.00           H  
HETATM   47  H   UNK A   1       3.275  -2.468   1.416  1.00  0.00           H  
HETATM   48  H   UNK A   1       1.205  -1.222   2.103  1.00  0.00           H  
HETATM   49  H   UNK A   1       0.858  -2.852   1.479  1.00  0.00           H  
HETATM   50  O   UNK A   1      -2.230  -2.761  -1.387  1.00  0.00           O  
HETATM   51  H   UNK A   1      -2.663  -1.041  -2.447  1.00  0.00           H  
HETATM   52  H   UNK A   1      -0.932  -1.394  -2.232  1.00  0.00           H  
HETATM   53  H   UNK A   1      -2.263  -3.375  -2.132  1.00  0.00           H  
CONECT    1   23    3    7    7                                       
CONECT    2   27   32   25                                            
CONECT    3    1   33                                                 
CONECT    4    6   24    9    9                                       
CONECT    5   28   34   26                                            
CONECT    6    4   35                                                 
CONECT    7    1    1   11    8                                       
CONECT    8    7   36                                                 
CONECT    9    4    4   10   13                                       
CONECT   10    9   37                                                 
CONECT   11    7   15   15   38                                       
CONECT   12   25   25                                                 
CONECT   13    9   17   17   39                                       
CONECT   14   26   26                                                 
CONECT   15   11   11   19   40                                       
CONECT   16   29   29                                                 
CONECT   17   13   13   21   41                                       
CONECT   18   30   30                                                 
CONECT   19   15   42   23   23                                       
CONECT   20   43   30                                                 
CONECT   21   17   24   24   44                                       
CONECT   22   29   31                                                 
CONECT   23    1   19   19   25                                       
CONECT   24    4   21   21   26                                       
CONECT   25   23    2   12   12                                       
CONECT   26   24    5   14   14                                       
CONECT   27    2   29   45   46                                       
CONECT   28    5   31   30   47                                       
CONECT   29   16   16   27   22                                       
CONECT   30   28   18   18   20                                       
CONECT   31   28   22   48   49                                       
CONECT   32    2                                                      
CONECT   33    3                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   27   50   51   52                                       
CONECT   46   27                                                      
CONECT   47   28                                                      
CONECT   48   31                                                      
CONECT   49   31                                                      
CONECT   50   45   53                                                 
CONECT   51   45                                                      
CONECT   52   45                                                      
CONECT   53   50                                                      
MASTER        0    0    0    0    0    0    0    0   53    0   53    0
END
