COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.396   0.273   0.347  1.00  0.00           C  
HETATM    2  C   UNL     1       5.017  -0.479   1.526  1.00  0.00           C  
HETATM    3  C   UNL     1       5.427   0.401  -0.776  1.00  0.00           C  
HETATM    4  C   UNL     1       3.341  -1.775  -0.624  1.00  0.00           C  
HETATM    5  C   UNL     1       2.243  -2.488  -1.086  1.00  0.00           C  
HETATM    6  C   UNL     1       1.000  -1.922  -1.090  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.419  -1.701   3.589  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.095  -1.473   2.236  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.601  -0.621   0.075  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.320  -0.664  -1.464  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.524  -0.095  -2.442  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.208   0.220  -2.150  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.731  -0.047  -0.863  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.334   0.270  -0.498  1.00  0.00           C  
HETATM   15  CA  UNL     1       0.134   1.459   0.033  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.683   2.636   0.335  1.00  0.00           C  
HETATM   17  C   UNL     1       1.938   0.111  -0.152  1.00  0.00           C  
HETATM   18  C   UNL     1       3.196  -0.487  -0.157  1.00  0.00           C  
HETATM   19  C   UNL     1       0.830  -0.615  -0.627  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.848  -0.907  -0.256  1.00  0.00           N  
HETATM   21  N   UNL     1       1.497   1.356   0.234  1.00  0.00           N  
HETATM   22  O   UNL     1      -2.158  -0.888   1.328  1.00  0.00           O  
HETATM   23  O   UNL     1      -1.879   2.618   0.118  1.00  0.00           O  
HETATM   24  OXT UNL     1      -0.108   3.741   0.853  1.00  0.00           O  
HETATM   25  H   UNL     1       4.087   1.266   0.672  1.00  0.00           H  
HETATM   26  H   UNL     1       4.283  -0.570   2.326  1.00  0.00           H  
HETATM   27  H   UNL     1       5.327  -1.472   1.201  1.00  0.00           H  
HETATM   28  H   UNL     1       5.885   0.071   1.890  1.00  0.00           H  
HETATM   29  H   UNL     1       5.736  -0.592  -1.101  1.00  0.00           H  
HETATM   30  H   UNL     1       4.984   0.937  -1.616  1.00  0.00           H  
HETATM   31  H   UNL     1       6.294   0.951  -0.412  1.00  0.00           H  
HETATM   32  H   UNL     1       4.317  -2.236  -0.626  1.00  0.00           H  
HETATM   33  H   UNL     1       2.373  -3.498  -1.444  1.00  0.00           H  
HETATM   34  H   UNL     1       0.150  -2.482  -1.452  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.133  -2.146   4.282  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.569  -2.371   3.463  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.073  -0.747   3.988  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.441  -2.427   1.837  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.945  -0.802   2.362  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.345  -0.913  -1.693  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.925   0.098  -3.426  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.567   0.665  -2.897  1.00  0.00           H  
HETATM   43  H   UNL     1       2.060   2.057   0.597  1.00  0.00           H  
HETATM   44  HXT UNL     1      -0.727   4.466   1.018  1.00  0.00           H  
CONECT    1   18    2    3   25                                       
CONECT    2    1   26   27   28                                       
CONECT    3    1   29   30   31                                       
CONECT    4    5    5   18   32                                       
CONECT    5    6    4    4   33                                       
CONECT    6   19   19    5   34                                       
CONECT    7    8   35   36   37                                       
CONECT    8   22    7   38   39                                       
CONECT    9   20   22   13   13                                       
CONECT   10   20   20   11   40                                       
CONECT   11   10   12   12   41                                       
CONECT   12   11   11   13   42                                       
CONECT   13    9    9   12   14                                       
CONECT   14   13   15   15   19                                       
CONECT   15   16   14   14   21                                       
CONECT   16   23   23   15   24                                       
CONECT   17   19   21   18   18                                       
CONECT   18   17   17    4    1                                       
CONECT   19   14    6    6   17                                       
CONECT   20   10   10    9                                            
CONECT   21   15   17   43                                            
CONECT   22    8    9                                                 
CONECT   23   16   16                                                 
CONECT   24   16   44                                                 
CONECT   25    1                                                      
CONECT   26    2                                                      
CONECT   27    2                                                      
CONECT   28    2                                                      
CONECT   29    3                                                      
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    7                                                      
CONECT   38    8                                                      
CONECT   39    8                                                      
CONECT   40   10                                                      
CONECT   41   11                                                      
CONECT   42   12                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
