COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -1.179  -2.538   1.078  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.773  -2.215  -0.294  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.849  -0.039   0.005  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.926   1.392  -0.062  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.102   0.273  -0.163  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.630   0.440  -0.253  1.00  0.00           C  
HETATM    7  C   UNL     1       1.426   1.289   0.651  1.00  0.00           C  
HETATM    8  C   UNL     1       2.116   0.752  -0.420  1.00  0.00           C  
HETATM    9  C   UNL     1       1.438   0.065  -1.411  1.00  0.00           C  
HETATM   10  C   UNL     1       0.070  -0.094  -1.333  1.00  0.00           C  
HETATM   11  C   UNL     1       3.610   0.922  -0.512  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.662  -1.003  -0.185  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.030  -1.155  -0.101  1.00  0.00           C  
HETATM   14  C   UNL     1      -4.294   1.233   0.022  1.00  0.00           C  
HETATM   15  C   UNL     1       0.057   1.137   0.740  1.00  0.00           C  
HETATM   16  CA  UNL     1       4.300  -0.249   0.191  1.00  0.00           C  
HETATM   17  C   UNL     1       5.791  -0.145  -0.005  1.00  0.00           C  
HETATM   18  C   UNL     1      -6.979   0.999   0.195  1.00  0.00           C  
HETATM   19  N   UNL     1       3.992  -0.208   1.627  1.00  0.00           N  
HETATM   20  O   UNL     1       6.486   0.306   0.874  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.196  -0.192   0.088  1.00  0.00           O  
HETATM   22  H   UNL     1      -0.619  -3.471   1.021  1.00  0.00           H  
HETATM   23  H   UNL     1      -0.513  -1.731   1.384  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.983  -2.641   1.807  1.00  0.00           H  
HETATM   25  H   UNL     1      -0.968  -2.013  -1.000  1.00  0.00           H  
HETATM   26  H   UNL     1      -2.359  -3.065  -0.645  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.495   2.382  -0.049  1.00  0.00           H  
HETATM   28  H   UNL     1       1.959   1.828   1.420  1.00  0.00           H  
HETATM   29  H   UNL     1       1.982  -0.352  -2.246  1.00  0.00           H  
HETATM   30  H   UNL     1      -0.458  -0.631  -2.107  1.00  0.00           H  
HETATM   31  H   UNL     1       3.910   0.944  -1.559  1.00  0.00           H  
HETATM   32  H   UNL     1       3.900   1.856  -0.031  1.00  0.00           H  
HETATM   33  H   UNL     1      -4.465  -2.144  -0.117  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.934   2.100   0.100  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.481   1.557   1.577  1.00  0.00           H  
HETATM   36  HA  UNL     1       3.943  -1.188  -0.231  1.00  0.00           H  
HETATM   37  H   UNL     1      -6.691   1.543   1.094  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.809   1.626  -0.680  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.035   0.735   0.253  1.00  0.00           H  
HETATM   40  H1  UNL     1       4.313   0.653   2.042  1.00  0.00           H  
HETATM   41  H2  UNL     1       3.005  -0.341   1.788  1.00  0.00           H  
HETATM   42  OXT UNL     1       6.346  -0.553  -1.157  1.00  0.00           O  
HETATM   43  HXT UNL     1       7.306  -0.466  -1.237  1.00  0.00           H  
CONECT    1    2   22   23   24                                       
CONECT    2   12    1   25   26                                       
CONECT    3   14   14   13   21                                       
CONECT    4    5    5   14   27                                       
CONECT    5    6    4    4   12                                       
CONECT    6   15    5   10   10                                       
CONECT    7   15   15    8   28                                       
CONECT    8    7   11    9    9                                       
CONECT    9    8    8   10   29                                       
CONECT   10    6    6    9   30                                       
CONECT   11   16    8   31   32                                       
CONECT   12    5    2   13   13                                       
CONECT   13   12   12    3   33                                       
CONECT   14    4    3    3   34                                       
CONECT   15    7    7    6   35                                       
CONECT   16   17   19   11   36                                       
CONECT   17   20   20   16   42                                       
CONECT   18   21   37   38   39                                       
CONECT   19   16   40   41                                            
CONECT   20   17   17                                                 
CONECT   21    3   18                                                 
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    7                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   17   43                                                 
CONECT   43   42                                                      
MASTER        0    0    0    0    0    0    0    0   43    0   43    0
END
