COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -5.097   4.400  -0.038  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.251   2.445   0.173  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.617   0.104   0.183  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.944  -0.257  -0.037  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.328   0.349  -0.385  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.662  -0.932  -0.486  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.579  -0.937   0.304  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.920  -3.217   0.207  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.171  -4.459   0.782  1.00  0.00           C  
HETATM   10  C   UNL     1       1.050  -5.165   0.206  1.00  0.00           C  
HETATM   11  C   UNL     1       1.299  -3.918  -0.371  1.00  0.00           C  
HETATM   12  C   UNL     1       0.318  -2.952  -0.368  1.00  0.00           C  
HETATM   13  C   UNL     1       2.102  -6.205   0.205  1.00  0.00           C  
HETATM   14  N   UNL     1       3.329  -5.943  -0.365  1.00  0.00           N  
HETATM   15  C   UNL     1      -0.861   1.853   0.521  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.486   2.490   1.709  1.00  0.00           C  
HETATM   17  C   UNL     1       1.763   2.536   0.873  1.00  0.00           C  
HETATM   18  CA  UNL     1       0.125   1.582  -0.448  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.252   0.910  -1.711  1.00  0.00           C  
HETATM   20  C   UNL     1       3.187   2.903   1.055  1.00  0.00           C  
HETATM   21  N   UNL     1       4.084   2.622   0.090  1.00  0.00           N  
HETATM   22  C   UNL     1       5.492   2.985   0.270  1.00  0.00           C  
HETATM   23  C   UNL     1       7.767   2.954  -1.021  1.00  0.00           C  
HETATM   24  O   UNL     1      -5.524   3.041  -0.156  1.00  0.00           O  
HETATM   25  C   UNL     1      -4.569   2.083  -0.045  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.269   1.465   0.288  1.00  0.00           C  
HETATM   27  C   UNL     1      -4.921   0.729  -0.152  1.00  0.00           C  
HETATM   28  O   UNL     1      -0.421  -0.621   0.496  1.00  0.00           O  
HETATM   29  N   UNL     1      -1.914  -2.238   0.203  1.00  0.00           N  
HETATM   30  C   UNL     1      -0.194  -5.429   0.783  1.00  0.00           C  
HETATM   31  N   UNL     1       1.868  -7.369   0.743  1.00  0.00           N  
HETATM   32  C   UNL     1       0.841   2.832   1.882  1.00  0.00           C  
HETATM   33  N   UNL     1       1.385   1.924  -0.238  1.00  0.00           N  
HETATM   34  O   UNL     1      -1.408   0.594  -1.909  1.00  0.00           O  
HETATM   35  OXT UNL     1       0.686   0.648  -2.641  1.00  0.00           O  
HETATM   36  O   UNL     1       3.546   3.457   2.076  1.00  0.00           O  
HETATM   37  C   UNL     1       6.291   2.558  -0.963  1.00  0.00           C  
HETATM   38  C   UNL     1       7.376   1.497  -0.769  1.00  0.00           C  
HETATM   39  H   UNL     1      -4.368   4.621  -0.818  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.956   5.062  -0.146  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.640   4.553   0.940  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.984   3.488   0.250  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.215  -1.299  -0.119  1.00  0.00           H  
HETATM   44  H   UNL     1      -7.087   1.112  -0.473  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.691  -1.210  -0.656  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.904  -1.696  -0.397  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.134  -4.662   1.228  1.00  0.00           H  
HETATM   48  H   UNL     1       2.260  -3.712  -0.817  1.00  0.00           H  
HETATM   49  H   UNL     1       0.510  -1.987  -0.814  1.00  0.00           H  
HETATM   50  H   UNL     1       3.503  -5.077  -0.765  1.00  0.00           H  
HETATM   51  H   UNL     1      -1.217   2.708   2.473  1.00  0.00           H  
HETATM   52  H   UNL     1       3.798   2.180  -0.725  1.00  0.00           H  
HETATM   53  H   UNL     1       5.575   4.064   0.401  1.00  0.00           H  
HETATM   54  H   UNL     1       5.887   2.480   1.151  1.00  0.00           H  
HETATM   55  H   UNL     1       8.184   3.203  -1.997  1.00  0.00           H  
HETATM   56  H   UNL     1       8.170   3.520  -0.180  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.847  -2.494   0.126  1.00  0.00           H  
HETATM   58  H   UNL     1      -0.389  -6.393   1.229  1.00  0.00           H  
HETATM   59  H   UNL     1       2.557  -8.051   0.742  1.00  0.00           H  
HETATM   60  H   UNL     1       1.162   3.332   2.783  1.00  0.00           H  
HETATM   61  HXT UNL     1       0.392   0.207  -3.450  1.00  0.00           H  
HETATM   62  H   UNL     1       5.736   2.545  -1.901  1.00  0.00           H  
HETATM   63  H   UNL     1       7.535   0.786  -1.580  1.00  0.00           H  
HETATM   64  H   UNL     1       7.521   1.103   0.237  1.00  0.00           H  
HETATM   65  H   UNL     1       4.019  -6.625  -0.366  1.00  0.00           H  
CONECT    1   24   39   40   41                                       
CONECT    2   25   25   26   42                                       
CONECT    3   26   26    4    7                                       
CONECT    4   27   27    3   43                                       
CONECT    5   27    6    6   44                                       
CONECT    6    5    5   45   46                                       
CONECT    7    3   28   28   29                                       
CONECT    8   29   12   12    9                                       
CONECT    9    8   30   30   47                                       
CONECT   10   11   11   30   13                                       
CONECT   11   12   10   10   48                                       
CONECT   12    8    8   11   49                                       
CONECT   13   10   31   31   14                                       
CONECT   14   13   50   65                                            
CONECT   15   18   18   16   26                                       
CONECT   16   32   32   15   51                                       
CONECT   17   20   33   33   32                                       
CONECT   18   33   19   15   15                                       
CONECT   19   34   34   18   35                                       
CONECT   20   21   36   36   17                                       
CONECT   21   22   20   52                                            
CONECT   22   37   21   53   54                                       
CONECT   23   38   37   55   56                                       
CONECT   24    1   25                                                 
CONECT   25   24    2    2   27                                       
CONECT   26    2   15    3    3                                       
CONECT   27   25    5    4    4                                       
CONECT   28    7    7                                                 
CONECT   29    7    8   57                                            
CONECT   30    9    9   10   58                                       
CONECT   31   13   13   59                                            
CONECT   32   17   16   16   60                                       
CONECT   33   17   17   18                                            
CONECT   34   19   19                                                 
CONECT   35   19   61                                                 
CONECT   36   20   20                                                 
CONECT   37   23   38   22   62                                       
CONECT   38   23   37   63   64                                       
CONECT   39    1                                                      
CONECT   40    1                                                      
CONECT   41    1                                                      
CONECT   42    2                                                      
CONECT   43    4                                                      
CONECT   44    5                                                      
CONECT   45    6                                                      
CONECT   46    6                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   12                                                      
CONECT   50   14                                                      
CONECT   51   16                                                      
CONECT   52   21                                                      
CONECT   53   22                                                      
CONECT   54   22                                                      
CONECT   55   23                                                      
CONECT   56   23                                                      
CONECT   57   29                                                      
CONECT   58   30                                                      
CONECT   59   31                                                      
CONECT   60   32                                                      
CONECT   61   35                                                      
CONECT   62   37                                                      
CONECT   63   38                                                      
CONECT   64   38                                                      
CONECT   65   14                                                      
MASTER        0    0    0    0    0    0    0    0   65    0   65    0
END
