COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.512   0.034   1.334  1.00  0.00           C  
HETATM    2  C   UNL     1       4.111  -0.528   0.043  1.00  0.00           C  
HETATM    3  C   UNL     1       5.320  -1.403   0.381  1.00  0.00           C  
HETATM    4  O   UNL     1       2.199   1.991   1.203  1.00  0.00           O  
HETATM    5  C   ACE A   0       2.251   0.794   1.013  1.00  0.00           C  
HETATM    6  O   UNL     1       4.453   0.913   1.953  1.00  0.00           O  
HETATM    7  C   UNL     1       4.878  -2.557   1.283  1.00  0.00           C  
HETATM    8  C   UNL     1       5.919  -1.965  -0.909  1.00  0.00           C  
HETATM    9  C   UNL     1       4.546   0.609  -0.845  1.00  0.00           C  
HETATM   10  O   UNL     1       4.065   0.733  -1.946  1.00  0.00           O  
HETATM   11  N   UNL     1       1.181   0.145   0.514  1.00  0.00           N  
HETATM   12  CA  UNL     1      -0.045   0.883   0.201  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.225  -0.052   0.260  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.046  -1.248   0.363  1.00  0.00           O  
HETATM   15  CB  UNL     1       0.063   1.480  -1.203  1.00  0.00           C  
HETATM   16  CG2 UNL     1       1.164   2.543  -1.222  1.00  0.00           C  
HETATM   17  CG1 UNL     1       0.405   0.374  -2.203  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.478   0.439   0.198  1.00  0.00           N  
HETATM   19  CA  UNL     1      -3.625  -0.459   0.354  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.959  -1.084  -0.976  1.00  0.00           C  
HETATM   21  O   UNL     1      -3.306  -0.808  -1.954  1.00  0.00           O  
HETATM   22  CB  UNL     1      -4.830   0.336   0.860  1.00  0.00           C  
HETATM   23  CG1 UNL     1      -5.991  -0.620   1.142  1.00  0.00           C  
HETATM   24  CG2 UNL     1      -5.254   1.352  -0.203  1.00  0.00           C  
HETATM   25  CD1 UNL     1      -7.152   0.157   1.765  1.00  0.00           C  
HETATM   26  OXT UNL     1      -4.982  -1.948  -1.074  1.00  0.00           O  
HETATM   27  H   UNL     1       3.278  -0.786   2.013  1.00  0.00           H  
HETATM   28  H   UNL     1       3.362  -1.128  -0.474  1.00  0.00           H  
HETATM   29  H   UNL     1       6.069  -0.804   0.899  1.00  0.00           H  
HETATM   30  H   UNL     1       4.707   1.667   1.404  1.00  0.00           H  
HETATM   31  H   UNL     1       5.739  -3.180   1.524  1.00  0.00           H  
HETATM   32  H   UNL     1       4.451  -2.157   2.203  1.00  0.00           H  
HETATM   33  H   UNL     1       4.129  -3.157   0.766  1.00  0.00           H  
HETATM   34  H   UNL     1       6.234  -1.143  -1.552  1.00  0.00           H  
HETATM   35  H   UNL     1       6.780  -2.589  -0.669  1.00  0.00           H  
HETATM   36  H   UNL     1       5.170  -2.565  -1.427  1.00  0.00           H  
HETATM   37  H   UNL     1       5.288   1.312  -0.498  1.00  0.00           H  
HETATM   38  H   UNL     1       1.222  -0.813   0.361  1.00  0.00           H  
HETATM   39  HA  UNL     1      -0.181   1.685   0.928  1.00  0.00           H  
HETATM   40  HB  UNL     1      -0.888   1.938  -1.478  1.00  0.00           H  
HETATM   41 HG21 UNL     1       2.107   2.095  -0.909  1.00  0.00           H  
HETATM   42 HG22 UNL     1       1.268   2.940  -2.232  1.00  0.00           H  
HETATM   43 HG23 UNL     1       0.901   3.351  -0.539  1.00  0.00           H  
HETATM   44 HG11 UNL     1       1.355  -0.083  -1.928  1.00  0.00           H  
HETATM   45 HG12 UNL     1      -0.380  -0.383  -2.189  1.00  0.00           H  
HETATM   46 HG13 UNL     1       0.482   0.799  -3.203  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.621   1.387   0.049  1.00  0.00           H  
HETATM   48  HA  UNL     1      -3.379  -1.242   1.072  1.00  0.00           H  
HETATM   49  HB  UNL     1      -4.561   0.860   1.777  1.00  0.00           H  
HETATM   50 HG11 UNL     1      -6.319  -1.079   0.209  1.00  0.00           H  
HETATM   51 HG12 UNL     1      -5.662  -1.397   1.832  1.00  0.00           H  
HETATM   52 HG21 UNL     1      -5.523   0.828  -1.119  1.00  0.00           H  
HETATM   53 HG22 UNL     1      -6.112   1.919   0.158  1.00  0.00           H  
HETATM   54 HG23 UNL     1      -4.427   2.033  -0.403  1.00  0.00           H  
HETATM   55 HD11 UNL     1      -6.824   0.615   2.698  1.00  0.00           H  
HETATM   56 HD12 UNL     1      -7.481   0.934   1.075  1.00  0.00           H  
HETATM   57 HD13 UNL     1      -7.979  -0.525   1.966  1.00  0.00           H  
HETATM   58  HXT UNL     1      -5.158  -2.323  -1.948  1.00  0.00           H  
CONECT    1    5    6    2   27                                       
CONECT    2    1    3    9   28                                       
CONECT    3    7    2    8   29                                       
CONECT    4    5    5                                                 
CONECT    5    4    4    1   11                                       
CONECT    6    1   30                                                 
CONECT    7    3   31   32   33                                       
CONECT    8    3   34   35   36                                       
CONECT    9    2   10   10   37                                       
CONECT   10    9    9                                                 
CONECT   11    5   12   38                                            
CONECT   12   11   15   13   39                                       
CONECT   13   12   18   14   14                                       
CONECT   14   13   13                                                 
CONECT   15   17   16   12   40                                       
CONECT   16   15   41   42   43                                       
CONECT   17   15   44   45   46                                       
CONECT   18   13   19   47                                            
CONECT   19   18   22   20   48                                       
CONECT   20   21   21   19   26                                       
CONECT   21   20   20                                                 
CONECT   22   24   19   23   49                                       
CONECT   23   22   25   50   51                                       
CONECT   24   22   52   53   54                                       
CONECT   25   23   55   56   57                                       
CONECT   26   20   58                                                 
CONECT   27    1                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   15                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   17                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   22                                                      
CONECT   50   23                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   26                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
