COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.514   3.184  -0.128  1.00  0.00           C  
HETATM    2  N   UNL     1       2.324   2.324  -0.086  1.00  0.00           N  
HETATM    3  C   UNL     1       2.642   1.015   0.500  1.00  0.00           C  
HETATM    4  C   UNL     1       3.191   0.093  -0.592  1.00  0.00           C  
HETATM    5  O   UNL     1       2.239  -0.021  -1.651  1.00  0.00           O  
HETATM    6  C   UNL     1       3.443  -1.287   0.028  1.00  0.00           C  
HETATM    7  O   UNL     1       2.206  -1.798   0.519  1.00  0.00           O  
HETATM    8  C   UNL     1       1.594  -1.037   1.561  1.00  0.00           C  
HETATM    9  C   UNL     1       0.111  -1.510   1.647  1.00  0.00           C  
HETATM   10  C   UNL     1       1.388   0.424   1.114  1.00  0.00           C  
HETATM   11  O   UNL     1       0.290   0.402   0.200  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.544  -0.731   0.485  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.642  -1.613  -0.733  1.00  0.00           C  
HETATM   14  O   UNL     1      -0.692  -1.065  -1.957  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.674  -2.815  -0.607  1.00  0.00           O  
HETATM   16  C   UNL     1      -1.939  -0.257   0.899  1.00  0.00           C  
HETATM   17  CA  UNL     1      -2.629   0.403  -0.297  1.00  0.00           C  
HETATM   18  C   UNL     1      -4.046   0.759   0.074  1.00  0.00           C  
HETATM   19  O   UNL     1      -4.322   1.894   0.384  1.00  0.00           O  
HETATM   20  OXT UNL     1      -5.000  -0.185   0.060  1.00  0.00           O  
HETATM   21  N   UNL     1      -1.900   1.623  -0.670  1.00  0.00           N  
HETATM   22  H   UNL     1       3.251   4.147  -0.566  1.00  0.00           H  
HETATM   23  H   UNL     1       3.889   3.336   0.884  1.00  0.00           H  
HETATM   24  H   UNL     1       4.285   2.708  -0.734  1.00  0.00           H  
HETATM   25  H   UNL     1       1.572   2.771   0.416  1.00  0.00           H  
HETATM   26  H   UNL     1       3.396   1.142   1.276  1.00  0.00           H  
HETATM   27  H   UNL     1       4.126   0.498  -0.980  1.00  0.00           H  
HETATM   28  H   UNL     1       2.525  -0.592  -2.377  1.00  0.00           H  
HETATM   29  H   UNL     1       3.843  -1.961  -0.729  1.00  0.00           H  
HETATM   30  H   UNL     1       4.153  -1.194   0.850  1.00  0.00           H  
HETATM   31  H   UNL     1       2.124  -1.127   2.510  1.00  0.00           H  
HETATM   32  H   UNL     1       0.035  -2.585   1.485  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.333  -1.230   2.602  1.00  0.00           H  
HETATM   34  H   UNL     1       1.099   1.022   1.978  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.754  -1.672  -2.707  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.529  -1.112   1.231  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.853   0.463   1.712  1.00  0.00           H  
HETATM   38  HA  UNL     1      -2.636  -0.287  -1.140  1.00  0.00           H  
HETATM   39  HXT UNL     1      -5.894   0.091   0.305  1.00  0.00           H  
HETATM   40  H1  UNL     1      -2.297   2.043  -1.496  1.00  0.00           H  
HETATM   41  H2  UNL     1      -1.878   2.280   0.096  1.00  0.00           H  
CONECT    1    2   22   23   24                                       
CONECT    2    1    3   25                                            
CONECT    3    2    4   10   26                                       
CONECT    4    3    5    6   27                                       
CONECT    5    4   28                                                 
CONECT    6    4    7   29   30                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   10   31                                       
CONECT    9    8   12   32   33                                       
CONECT   10    3    8   11   34                                       
CONECT   11   10   12                                                 
CONECT   12    9   11   13   16                                       
CONECT   13   12   14   15   15                                       
CONECT   14   13   35                                                 
CONECT   15   13   13                                                 
CONECT   16   12   17   36   37                                       
CONECT   17   16   18   21   38                                       
CONECT   18   17   19   19   20                                       
CONECT   19   18   18                                                 
CONECT   20   18   39                                                 
CONECT   21   17   40   41                                            
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    8                                                      
CONECT   32    9                                                      
CONECT   33    9                                                      
CONECT   34   10                                                      
CONECT   35   14                                                      
CONECT   36   16                                                      
CONECT   37   16                                                      
CONECT   38   17                                                      
CONECT   39   20                                                      
CONECT   40   21                                                      
CONECT   41   21                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
