COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.383   0.125  -0.418  1.00  0.00           C  
HETATM    2  C   UNL     1       0.758  -1.055  -0.580  1.00  0.00           C  
HETATM    3  C   UNL     1       2.154  -0.911  -0.031  1.00  0.00           C  
HETATM    4  C   UNL     1       4.139   0.344  -0.403  1.00  0.00           C  
HETATM    5  C   UNL     1       4.711  -0.357   0.649  1.00  0.00           C  
HETATM    6  C   UNL     1       6.017  -0.100   1.019  1.00  0.00           C  
HETATM    7  C   UNL     1       6.753   0.856   0.343  1.00  0.00           C  
HETATM    8  C   UNL     1       6.185   1.556  -0.705  1.00  0.00           C  
HETATM    9  C   UNL     1       4.880   1.302  -1.080  1.00  0.00           C  
HETATM   10  C   UNL     1      -3.719   1.364   0.009  1.00  0.00           C  
HETATM   11  CA  UNL     1      -2.354   1.317   0.243  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.629   2.532   0.675  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.293  -0.933  -0.303  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.476  -2.189  -0.468  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.048  -3.308   0.428  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.773  -4.026   0.944  1.00  0.00           C  
HETATM   17  C   UNL     1       0.210  -2.839   1.100  1.00  0.00           C  
HETATM   18  N   UNL     1      -1.693   0.157   0.075  1.00  0.00           N  
HETATM   19  N   UNL     1      -0.093  -1.946  -0.033  1.00  0.00           N  
HETATM   20  N   UNL     1      -3.623  -0.984  -0.556  1.00  0.00           N  
HETATM   21  O   UNL     1      -5.581   0.097  -0.636  1.00  0.00           O  
HETATM   22  O   UNL     1      -4.419   2.515   0.167  1.00  0.00           O  
HETATM   23  OXT UNL     1      -0.302   2.480   0.901  1.00  0.00           O  
HETATM   24  O   UNL     1      -2.230   3.576   0.826  1.00  0.00           O  
HETATM   25  O   UNL     1       2.857   0.089  -0.773  1.00  0.00           O  
HETATM   26  O   UNL     1       0.400  -0.370  -1.515  1.00  0.00           O  
HETATM   27  H   UNL     1       2.103  -0.616   1.017  1.00  0.00           H  
HETATM   28  H   UNL     1       2.678  -1.862  -0.116  1.00  0.00           H  
HETATM   29  H   UNL     1       4.137  -1.103   1.178  1.00  0.00           H  
HETATM   30  H   UNL     1       6.463  -0.645   1.838  1.00  0.00           H  
HETATM   31  H   UNL     1       7.774   1.055   0.634  1.00  0.00           H  
HETATM   32  H   UNL     1       6.762   2.302  -1.232  1.00  0.00           H  
HETATM   33  H   UNL     1       4.437   1.849  -1.899  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.486  -2.504  -1.511  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.615  -2.886   1.257  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.665  -3.991  -0.156  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.958  -4.509   1.903  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.405  -4.744   0.212  1.00  0.00           H  
HETATM   39  H   UNL     1       0.037  -2.324   2.046  1.00  0.00           H  
HETATM   40  H   UNL     1       1.241  -3.190   1.044  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.031  -1.819  -0.836  1.00  0.00           H  
HETATM   42  H   UNL     1      -5.363   2.431  -0.024  1.00  0.00           H  
HETATM   43  HXT UNL     1       0.128   3.299   1.182  1.00  0.00           H  
CONECT    1   10   21   21   20                                       
CONECT    2   26   26    3   19                                       
CONECT    3   25    2   27   28                                       
CONECT    4    5   25    9    9                                       
CONECT    5    6    6    4   29                                       
CONECT    6    5    5    7   30                                       
CONECT    7    6    8    8   31                                       
CONECT    8    7    7    9   32                                       
CONECT    9    4    4    8   33                                       
CONECT   10   22   11   11    1                                       
CONECT   11   12   10   10   18                                       
CONECT   12   24   24   23   11                                       
CONECT   13   18   18   20   14                                       
CONECT   14   13   19   15   34                                       
CONECT   15   14   16   35   36                                       
CONECT   16   15   17   37   38                                       
CONECT   17   19   16   39   40                                       
CONECT   18   11   13   13                                            
CONECT   19    2   14   17                                            
CONECT   20    1   13   41                                            
CONECT   21    1    1                                                 
CONECT   22   10   42                                                 
CONECT   23   12   43                                                 
CONECT   24   12   12                                                 
CONECT   25    4    3                                                 
CONECT   26    2    2                                                 
CONECT   27    3                                                      
CONECT   28    3                                                      
CONECT   29    5                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   20                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
