COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.628  -0.087  -0.257  1.00  0.00           C  
HETATM    2  C   UNL     1       5.765  -1.635   1.108  1.00  0.00           C  
HETATM    3  C   UNL     1       4.045  -1.725  -1.828  1.00  0.00           C  
HETATM    4  C   UNL     1       2.861  -1.724  -2.549  1.00  0.00           C  
HETATM    5  C   UNL     1       1.843  -0.877  -2.218  1.00  0.00           C  
HETATM    6  C   UNL     1       1.987   0.006  -1.139  1.00  0.00           C  
HETATM    7  C   UNL     1       1.138   0.981  -0.562  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.255   1.329  -1.019  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.268   0.449  -0.284  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.683   0.803  -0.748  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.940   0.169  -0.361  1.00  0.00           C  
HETATM   12  C   UNL     1      -5.308   1.110  -1.281  1.00  0.00           C  
HETATM   13  C   UNL     1      -7.293  -0.397  -0.054  1.00  0.00           C  
HETATM   14  C   UNL     1      -8.282  -1.173   0.576  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.918  -2.114   1.489  1.00  0.00           C  
HETATM   16  C   UNL     1      -6.578  -2.323   1.809  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.931  -0.609   0.272  1.00  0.00           C  
HETATM   18  C   UNL     1       1.282   2.606   1.352  1.00  0.00           C  
HETATM   19  O   UNL     1       0.165   3.049   1.168  1.00  0.00           O  
HETATM   20  OXT UNL     1       2.042   3.089   2.356  1.00  0.00           O  
HETATM   21  CA  UNL     1       1.805   1.546   0.479  1.00  0.00           C  
HETATM   22  N   UNL     1       3.053   0.963   0.586  1.00  0.00           N  
HETATM   23  C   UNL     1       3.184   0.015  -0.399  1.00  0.00           C  
HETATM   24  C   UNL     1       4.218  -0.863  -0.755  1.00  0.00           C  
HETATM   25  C   UNL     1       5.488  -0.869   0.012  1.00  0.00           C  
HETATM   26  C   UNL     1       4.836  -2.628   1.757  1.00  0.00           C  
HETATM   27  N   UNL     1       7.021  -1.343   1.503  1.00  0.00           N  
HETATM   28  N   UNL     1       7.538  -0.373   0.635  1.00  0.00           N  
HETATM   29  C   UNL     1       6.774   0.904  -1.383  1.00  0.00           C  
HETATM   30  O   UNL     1      -3.629  -0.020  -0.062  1.00  0.00           O  
HETATM   31  C   UNL     1      -5.594  -1.590   1.219  1.00  0.00           C  
HETATM   32  C   UNL     1      -7.631   0.584  -1.002  1.00  0.00           C  
HETATM   33  C   UNL     1      -6.648   1.314  -1.598  1.00  0.00           C  
HETATM   34  H   UNL     1       4.839  -2.405  -2.102  1.00  0.00           H  
HETATM   35  H   UNL     1       2.742  -2.401  -3.382  1.00  0.00           H  
HETATM   36  H   UNL     1       0.926  -0.887  -2.788  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.458   2.377  -0.800  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.339   1.160  -2.092  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.066  -0.599  -0.503  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.186   0.618   0.789  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.886   1.851  -0.529  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.766   0.633  -1.822  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.549   1.703  -1.768  1.00  0.00           H  
HETATM   44  H   UNL     1      -9.324  -1.022   0.338  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.679  -2.709   1.972  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.316  -3.076   2.538  1.00  0.00           H  
HETATM   47  HXT UNL     1       1.655   3.786   2.903  1.00  0.00           H  
HETATM   48  H   UNL     1       3.726   1.188   1.247  1.00  0.00           H  
HETATM   49  H   UNL     1       4.977  -3.609   1.303  1.00  0.00           H  
HETATM   50  H   UNL     1       5.054  -2.686   2.824  1.00  0.00           H  
HETATM   51  H   UNL     1       3.804  -2.307   1.615  1.00  0.00           H  
HETATM   52  H   UNL     1       7.486  -1.736   2.258  1.00  0.00           H  
HETATM   53  H   UNL     1       6.442   1.887  -1.048  1.00  0.00           H  
HETATM   54  H   UNL     1       7.820   0.958  -1.687  1.00  0.00           H  
HETATM   55  H   UNL     1       6.166   0.585  -2.230  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.560  -1.762   1.478  1.00  0.00           H  
HETATM   57  H   UNL     1      -8.665   0.755  -1.260  1.00  0.00           H  
HETATM   58  H   UNL     1      -6.913   2.067  -2.326  1.00  0.00           H  
CONECT    1   29   28   28   25                                       
CONECT    2   27   25   25   26                                       
CONECT    3    4    4   24   34                                       
CONECT    4    3    3    5   35                                       
CONECT    5    4    6    6   36                                       
CONECT    6    5    5   23    7                                       
CONECT    7    6   21   21    8                                       
CONECT    8    7    9   37   38                                       
CONECT    9   10    8   39   40                                       
CONECT   10   30    9   41   42                                       
CONECT   11   17   17   12   30                                       
CONECT   12   33   33   11   43                                       
CONECT   13   14   32   32   17                                       
CONECT   14   15   15   13   44                                       
CONECT   15   14   14   16   45                                       
CONECT   16   15   31   31   46                                       
CONECT   17   13   31   11   11                                       
CONECT   18   21   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   47                                                 
CONECT   21   22    7    7   18                                       
CONECT   22   23   21   48                                            
CONECT   23   24   24    6   22                                       
CONECT   24    3   25   23   23                                       
CONECT   25    1    2    2   24                                       
CONECT   26    2   49   50   51                                       
CONECT   27   28    2   52                                            
CONECT   28    1    1   27                                            
CONECT   29    1   53   54   55                                       
CONECT   30   11   10                                                 
CONECT   31   16   16   17   56                                       
CONECT   32   13   13   33   57                                       
CONECT   33   32   12   12   58                                       
CONECT   34    3                                                      
CONECT   35    4                                                      
CONECT   36    5                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   12                                                      
CONECT   44   14                                                      
CONECT   45   15                                                      
CONECT   46   16                                                      
CONECT   47   20                                                      
CONECT   48   22                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
CONECT   52   27                                                      
CONECT   53   29                                                      
CONECT   54   29                                                      
CONECT   55   29                                                      
CONECT   56   31                                                      
CONECT   57   32                                                      
CONECT   58   33                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
