COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.011  -1.709  -0.124  1.00  0.00           C  
HETATM    2  C   UNL     1      -0.077  -3.058   0.179  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.290  -3.624   0.550  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.588  -0.737   0.412  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.503   0.590   0.102  1.00  0.00           C  
HETATM    6  CA  UNL     1      -2.265   1.147  -0.254  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.188   2.588  -0.588  1.00  0.00           C  
HETATM    8  C   UNL     1       3.156   0.429  -0.099  1.00  0.00           C  
HETATM    9  C   UNL     1       1.918  -0.131   0.301  1.00  0.00           C  
HETATM   10  C   UNL     1       1.327   0.289   1.500  1.00  0.00           C  
HETATM   11  C   UNL     1       1.948   1.231   2.265  1.00  0.00           C  
HETATM   12  C   UNL     1       3.165   1.783   1.873  1.00  0.00           C  
HETATM   13  C   UNL     1       3.768   1.398   0.714  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.430  -2.886   0.631  1.00  0.00           C  
HETATM   15  C   UNL     1       1.302  -1.107  -0.520  1.00  0.00           C  
HETATM   16  C   UNL     1       3.747   0.013  -1.305  1.00  0.00           C  
HETATM   17  C   UNL     1       1.922  -1.492  -1.697  1.00  0.00           C  
HETATM   18  C   UNL     1       3.134  -0.927  -2.078  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.201  -0.892  -0.052  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.416  -1.513   0.338  1.00  0.00           C  
HETATM   21  N   UNL     1      -1.174   0.406  -0.331  1.00  0.00           N  
HETATM   22  O   UNL     1      -3.189   3.274  -0.552  1.00  0.00           O  
HETATM   23  OXT UNL     1      -1.007   3.137  -0.931  1.00  0.00           O  
HETATM   24  H   UNL     1       0.808  -3.676   0.126  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.329  -4.679   0.780  1.00  0.00           H  
HETATM   26  H   UNL     1      -4.528  -1.179   0.706  1.00  0.00           H  
HETATM   27  H   UNL     1      -4.384   1.214   0.148  1.00  0.00           H  
HETATM   28  H   UNL     1       0.384  -0.131   1.817  1.00  0.00           H  
HETATM   29  H   UNL     1       1.491   1.553   3.189  1.00  0.00           H  
HETATM   30  H   UNL     1       3.637   2.529   2.496  1.00  0.00           H  
HETATM   31  H   UNL     1       4.711   1.835   0.422  1.00  0.00           H  
HETATM   32  H   UNL     1      -3.355  -3.361   0.923  1.00  0.00           H  
HETATM   33  H   UNL     1       4.688   0.440  -1.620  1.00  0.00           H  
HETATM   34  H   UNL     1       1.458  -2.236  -2.328  1.00  0.00           H  
HETATM   35  H   UNL     1       3.597  -1.238  -3.002  1.00  0.00           H  
HETATM   36  HXT UNL     1      -1.006   4.081  -1.140  1.00  0.00           H  
CONECT    1   19   15    2    2                                       
CONECT    2    1    1    3   24                                       
CONECT    3   14   14    2   25                                       
CONECT    4    5    5   20   26                                       
CONECT    5    6    4    4   27                                       
CONECT    6    7    5   21   21                                       
CONECT    7   22   22   23    6                                       
CONECT    8   16   13   13    9                                       
CONECT    9    8   15   10   10                                       
CONECT   10    9    9   11   28                                       
CONECT   11   12   12   10   29                                       
CONECT   12   13   11   11   30                                       
CONECT   13    8    8   12   31                                       
CONECT   14   20    3    3   32                                       
CONECT   15   17   17    9    1                                       
CONECT   16   18   18    8   33                                       
CONECT   17   18   15   15   34                                       
CONECT   18   16   16   17   35                                       
CONECT   19   21   20   20    1                                       
CONECT   20    4   19   19   14                                       
CONECT   21    6    6   19                                            
CONECT   22    7    7                                                 
CONECT   23    7   36                                                 
CONECT   24    2                                                      
CONECT   25    3                                                      
CONECT   26    4                                                      
CONECT   27    5                                                      
CONECT   28   10                                                      
CONECT   29   11                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
CONECT   32   14                                                      
CONECT   33   16                                                      
CONECT   34   17                                                      
CONECT   35   18                                                      
CONECT   36   23                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
