COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.831  -0.452   0.626  1.00  0.00           C  
HETATM    2  O   UNL     1       3.841  -1.361   1.432  1.00  0.00           O  
HETATM    3  O   UNL     1       4.976  -0.071   0.028  1.00  0.00           O  
HETATM    4  C   UNL     1       6.182  -0.791   0.393  1.00  0.00           C  
HETATM    5  C   UNL     1       7.353  -0.231  -0.372  1.00  0.00           C  
HETATM    6  C   UNL     1       8.091   0.810   0.160  1.00  0.00           C  
HETATM    7  C   UNL     1       9.166   1.325  -0.542  1.00  0.00           C  
HETATM    8  C   UNL     1       9.502   0.797  -1.775  1.00  0.00           C  
HETATM    9  C   UNL     1       8.765  -0.244  -2.306  1.00  0.00           C  
HETATM   10  C   UNL     1       7.693  -0.762  -1.602  1.00  0.00           C  
HETATM   11  N   UNL     1       2.675   0.172   0.328  1.00  0.00           N  
HETATM   12  C   UNL     1       1.429  -0.246   0.975  1.00  0.00           C  
HETATM   13  C   UNL     1       0.260   0.118   0.096  1.00  0.00           C  
HETATM   14  O   UNL     1       0.373   0.998  -0.731  1.00  0.00           O  
HETATM   15  C   UNL     1       1.292   0.463   2.324  1.00  0.00           C  
HETATM   16  C   UNL     1       2.402  -0.012   3.264  1.00  0.00           C  
HETATM   17  C   UNL     1       1.408   1.974   2.120  1.00  0.00           C  
HETATM   18  N   UNL     1      -0.912  -0.535   0.228  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.014  -0.257  -0.696  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.324  -0.591  -0.030  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.336  -1.020   1.105  1.00  0.00           O  
HETATM   22  C   UNL     1      -1.851  -1.108  -1.956  1.00  0.00           C  
HETATM   23  N   UNL     1      -4.483  -0.414  -0.695  1.00  0.00           N  
HETATM   24  C   UNL     1      -5.756  -0.739  -0.048  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.048  -2.207  -0.223  1.00  0.00           C  
HETATM   26  O   UNL     1      -5.434  -2.852  -1.038  1.00  0.00           O  
HETATM   27  C   UNL     1      -6.878   0.083  -0.687  1.00  0.00           C  
HETATM   28  C   UNL     1      -6.650   1.546  -0.406  1.00  0.00           C  
HETATM   29  O   UNL     1      -5.689   1.895   0.238  1.00  0.00           O  
HETATM   30  O   UNL     1      -7.514   2.461  -0.872  1.00  0.00           O  
HETATM   31  C   UNL     1      -7.232   3.852  -0.564  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.107  -2.871   0.620  1.00  0.00           C  
HETATM   33  H   UNL     1       6.361  -0.682   1.463  1.00  0.00           H  
HETATM   34  H   UNL     1       6.062  -1.847   0.151  1.00  0.00           H  
HETATM   35  H   UNL     1       7.828   1.222   1.123  1.00  0.00           H  
HETATM   36  H   UNL     1       9.742   2.138  -0.127  1.00  0.00           H  
HETATM   37  H   UNL     1      10.341   1.200  -2.323  1.00  0.00           H  
HETATM   38  H   UNL     1       9.028  -0.656  -3.269  1.00  0.00           H  
HETATM   39  H   UNL     1       7.119  -1.578  -2.015  1.00  0.00           H  
HETATM   40  H   UNL     1       2.667   0.898  -0.316  1.00  0.00           H  
HETATM   41  H   UNL     1       1.444  -1.324   1.130  1.00  0.00           H  
HETATM   42  H   UNL     1       0.321   0.228   2.760  1.00  0.00           H  
HETATM   43  H   UNL     1       3.373   0.222   2.827  1.00  0.00           H  
HETATM   44  H   UNL     1       2.304   0.492   4.225  1.00  0.00           H  
HETATM   45  H   UNL     1       2.319  -1.089   3.409  1.00  0.00           H  
HETATM   46  H   UNL     1       0.568   2.326   1.521  1.00  0.00           H  
HETATM   47  H   UNL     1       1.398   2.474   3.089  1.00  0.00           H  
HETATM   48  H   UNL     1       2.342   2.201   1.605  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.025  -1.189   0.936  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.003   0.799  -0.966  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.862  -2.164  -1.685  1.00  0.00           H  
HETATM   52  H   UNL     1      -2.671  -0.901  -2.644  1.00  0.00           H  
HETATM   53  H   UNL     1      -0.903  -0.866  -2.438  1.00  0.00           H  
HETATM   54  H   UNL     1      -4.474  -0.071  -1.603  1.00  0.00           H  
HETATM   55  H   UNL     1      -5.694  -0.505   1.015  1.00  0.00           H  
HETATM   56  H   UNL     1      -6.882  -0.084  -1.764  1.00  0.00           H  
HETATM   57  H   UNL     1      -7.836  -0.222  -0.267  1.00  0.00           H  
HETATM   58  H   UNL     1      -7.216   3.988   0.518  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.262   4.127  -0.979  1.00  0.00           H  
HETATM   60  H   UNL     1      -8.006   4.485  -0.998  1.00  0.00           H  
HETATM   61  H   UNL     1      -7.549  -2.136   1.293  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.881  -3.283  -0.027  1.00  0.00           H  
HETATM   63  H   UNL     1      -6.656  -3.673   1.204  1.00  0.00           H  
CONECT    1    2    2    3   11                                       
CONECT    2    1    1                                                 
CONECT    3    1    4                                                 
CONECT    4    3    5   33   34                                       
CONECT    5    4    6    6   10                                       
CONECT    6    5    5    7   35                                       
CONECT    7    6    8    8   36                                       
CONECT    8    7    7    9   37                                       
CONECT    9    8   10   10   38                                       
CONECT   10    5    9    9   39                                       
CONECT   11   12   40    1                                            
CONECT   12   11   13   15   41                                       
CONECT   13   12   14   14   18                                       
CONECT   14   13   13                                                 
CONECT   15   12   16   17   42                                       
CONECT   16   15   43   44   45                                       
CONECT   17   15   46   47   48                                       
CONECT   18   19   49   13                                            
CONECT   19   18   20   22   50                                       
CONECT   20   19   21   21   23                                       
CONECT   21   20   20                                                 
CONECT   22   19   51   52   53                                       
CONECT   23   24   54   20                                            
CONECT   24   23   27   25   55                                       
CONECT   25   24   26   26   32                                       
CONECT   26   25   25                                                 
CONECT   27   24   28   56   57                                       
CONECT   28   27   29   29   30                                       
CONECT   29   28   28                                                 
CONECT   30   28   31                                                 
CONECT   31   30   58   59   60                                       
CONECT   32   61   62   63   25                                       
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    6                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    9                                                      
CONECT   39   10                                                      
CONECT   40   11                                                      
CONECT   41   12                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   17                                                      
CONECT   47   17                                                      
CONECT   48   17                                                      
CONECT   49   18                                                      
CONECT   50   19                                                      
CONECT   51   22                                                      
CONECT   52   22                                                      
CONECT   53   22                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   27                                                      
CONECT   57   27                                                      
CONECT   58   31                                                      
CONECT   59   31                                                      
CONECT   60   31                                                      
CONECT   61   32                                                      
CONECT   62   32                                                      
CONECT   63   32                                                      
MASTER        0    0    0    0    0    0    0    0   63    0   63    0
END
