COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.949  -1.243  -0.735  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.247  -0.141  -1.131  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.808  -1.413   0.235  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.257  -1.586   1.697  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.098  -0.641   2.062  1.00  0.00           C  
HETATM    6  C   UNL     1      -1.876   0.052   0.079  1.00  0.00           C  
HETATM    7  C   UNL     1       3.085  -0.381   0.282  1.00  0.00           C  
HETATM    8  C   UNL     1       4.274  -0.703  -0.625  1.00  0.00           C  
HETATM    9  C   UNL     1       5.304  -1.480   0.154  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.401   1.485   0.331  1.00  0.00           C  
HETATM   11  CA  UNL     1      -0.016   1.680  -0.289  1.00  0.00           C  
HETATM   12  C   UNL     1       0.398   3.122  -0.149  1.00  0.00           C  
HETATM   13  C   UNL     1       2.097   0.513  -0.470  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.205  -0.135   0.675  1.00  0.00           N  
HETATM   15  N   UNL     1       0.955   0.822   0.401  1.00  0.00           N  
HETATM   16  O   UNL     1      -5.639  -2.316  -1.154  1.00  0.00           O  
HETATM   17  OXT UNL     1      -0.346   4.092  -0.704  1.00  0.00           O  
HETATM   18  O   UNL     1       1.400   3.406   0.464  1.00  0.00           O  
HETATM   19  O   UNL     1       5.940  -0.904   1.186  1.00  0.00           O  
HETATM   20  O   UNL     1       5.558  -2.621  -0.152  1.00  0.00           O  
HETATM   21  O   UNL     1       3.829  -1.484  -1.736  1.00  0.00           O  
HETATM   22  H   UNL     1      -3.080  -2.155  -0.091  1.00  0.00           H  
HETATM   23  H   UNL     1      -5.244  -1.171   1.905  1.00  0.00           H  
HETATM   24  H   UNL     1      -4.135  -2.600   2.077  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.356   0.099   2.820  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.161  -1.156   2.272  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.930  -0.129  -0.994  1.00  0.00           H  
HETATM   28  H   UNL     1      -1.173  -0.648   0.531  1.00  0.00           H  
HETATM   29  H   UNL     1       2.589  -1.307   0.573  1.00  0.00           H  
HETATM   30  H   UNL     1       3.438   0.137   1.174  1.00  0.00           H  
HETATM   31  H   UNL     1       4.717   0.225  -0.987  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.104   2.185  -0.120  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.347   1.666   1.405  1.00  0.00           H  
HETATM   34  HA  UNL     1      -0.051   1.413  -1.346  1.00  0.00           H  
HETATM   35  H   UNL     1       2.593   1.439  -0.761  1.00  0.00           H  
HETATM   36  H   UNL     1       1.744  -0.006  -1.362  1.00  0.00           H  
HETATM   37  H   UNL     1       0.517  -0.023   0.736  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.365  -2.157  -1.773  1.00  0.00           H  
HETATM   39  HXT UNL     1      -0.040   5.001  -0.587  1.00  0.00           H  
HETATM   40  H   UNL     1       6.592  -1.442   1.655  1.00  0.00           H  
HETATM   41  H   UNL     1       3.423  -2.326  -1.488  1.00  0.00           H  
CONECT    1    2    2    3   16                                       
CONECT    2    1    1                                                 
CONECT    3   14    1    4   22                                       
CONECT    4    5    3   23   24                                       
CONECT    5   14    4   25   26                                       
CONECT    6   10   14   27   28                                       
CONECT    7   13    8   29   30                                       
CONECT    8    7    9   21   31                                       
CONECT    9   20   20    8   19                                       
CONECT   10   11    6   32   33                                       
CONECT   11   12   15   10   34                                       
CONECT   12   18   18   11   17                                       
CONECT   13    7   15   35   36                                       
CONECT   14    6    5    3                                            
CONECT   15   13   11   37                                            
CONECT   16    1   38                                                 
CONECT   17   12   39                                                 
CONECT   18   12   12                                                 
CONECT   19    9   40                                                 
CONECT   20    9    9                                                 
CONECT   21    8   41                                                 
CONECT   22    3                                                      
CONECT   23    4                                                      
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32   10                                                      
CONECT   33   10                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   19                                                      
CONECT   41   21                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
