COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -4.385  -3.823  -0.052  1.00  0.00           O  
HETATM    2  C   UNL     1      -3.534  -2.970   0.088  1.00  0.00           C  
HETATM    3  OXT UNL     1      -2.242  -3.324   0.221  1.00  0.00           O  
HETATM    4  CA  UNL     1      -3.917  -1.533   0.105  1.00  0.00           C  
HETATM    5  N   UNL     1      -2.997  -0.695   0.387  1.00  0.00           N  
HETATM    6  C   UNL     1      -5.315  -1.215  -0.209  1.00  0.00           C  
HETATM    7  C   UNL     1      -6.114  -2.142  -0.729  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.838   0.181   0.065  1.00  0.00           C  
HETATM    9  S   UNL     1      -4.537   1.342  -0.465  1.00  0.00           S  
HETATM   10  C   UNL     1      -3.112   0.751   0.491  1.00  0.00           C  
HETATM   11  CA  UNL     1      -1.836   1.400  -0.050  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.900   2.890   0.169  1.00  0.00           C  
HETATM   13  O   UNL     1      -1.060   3.438   0.843  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.674   0.852   0.654  1.00  0.00           N  
HETATM   15  C   UNL     1       0.537   0.860   0.062  1.00  0.00           C  
HETATM   16  O   UNL     1       0.664   1.321  -1.053  1.00  0.00           O  
HETATM   17  C   UNL     1       1.733   0.297   0.785  1.00  0.00           C  
HETATM   18  C   UNL     1       2.973   0.427  -0.101  1.00  0.00           C  
HETATM   19  C   UNL     1       4.187  -0.145   0.634  1.00  0.00           C  
HETATM   20  C   UNL     1       5.428  -0.015  -0.253  1.00  0.00           C  
HETATM   21  CA  UNL     1       6.642  -0.587   0.482  1.00  0.00           C  
HETATM   22  N   UNL     1       6.457  -2.030   0.682  1.00  0.00           N  
HETATM   23  C   UNL     1       7.883  -0.348  -0.338  1.00  0.00           C  
HETATM   24  O   UNL     1       8.342  -1.239  -1.014  1.00  0.00           O  
HETATM   25  OXT UNL     1       8.480   0.854  -0.318  1.00  0.00           O  
HETATM   26  OXT UNL     1      -2.889   3.608  -0.385  1.00  0.00           O  
HETATM   27  HXT UNL     1      -2.042  -4.270   0.199  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.239   1.028   1.537  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.709  -3.097  -1.030  1.00  0.00           H  
HETATM   30  H   UNL     1      -7.168  -1.940  -0.849  1.00  0.00           H  
HETATM   31  H   UNL     1      -6.750   0.357  -0.506  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.035   0.303   1.130  1.00  0.00           H  
HETATM   33  HA  UNL     1      -1.747   1.193  -1.116  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.776   0.484   1.545  1.00  0.00           H  
HETATM   35  HXT UNL     1      -2.888   4.560  -0.217  1.00  0.00           H  
HETATM   36  H   UNL     1       1.890   0.848   1.713  1.00  0.00           H  
HETATM   37  H   UNL     1       1.558  -0.755   1.013  1.00  0.00           H  
HETATM   38  H   UNL     1       2.817  -0.124  -1.028  1.00  0.00           H  
HETATM   39  H   UNL     1       3.148   1.479  -0.328  1.00  0.00           H  
HETATM   40  H   UNL     1       4.344   0.406   1.561  1.00  0.00           H  
HETATM   41  H   UNL     1       4.012  -1.197   0.861  1.00  0.00           H  
HETATM   42  H   UNL     1       5.271  -0.566  -1.180  1.00  0.00           H  
HETATM   43  H   UNL     1       5.603   1.037  -0.480  1.00  0.00           H  
HETATM   44  HA  UNL     1       6.746  -0.096   1.449  1.00  0.00           H  
HETATM   45  H1  UNL     1       6.359  -2.508  -0.201  1.00  0.00           H  
HETATM   46  H2  UNL     1       7.216  -2.420   1.222  1.00  0.00           H  
HETATM   47  HXT UNL     1       9.274   0.960  -0.861  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3    4                                       
CONECT    3    2   27                                                 
CONECT    4    2    5    5    6                                       
CONECT    5    4    4   10                                            
CONECT    6    4    7    7    8                                       
CONECT    7    6    6   29   30                                       
CONECT    8    6    9   31   32                                       
CONECT    9    8   10                                                 
CONECT   10    5    9   11   28                                       
CONECT   11   10   12   14   33                                       
CONECT   12   11   13   13   26                                       
CONECT   13   12   12                                                 
CONECT   14   11   15   34                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   36   37                                       
CONECT   18   17   19   38   39                                       
CONECT   19   18   20   40   41                                       
CONECT   20   19   21   42   43                                       
CONECT   21   20   22   23   44                                       
CONECT   22   21   45   46                                            
CONECT   23   21   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   47                                                 
CONECT   26   12   35                                                 
CONECT   27    3                                                      
CONECT   28   10                                                      
CONECT   29    7                                                      
CONECT   30    7                                                      
CONECT   31    8                                                      
CONECT   32    8                                                      
CONECT   33   11                                                      
CONECT   34   14                                                      
CONECT   35   26                                                      
CONECT   36   17                                                      
CONECT   37   17                                                      
CONECT   38   18                                                      
CONECT   39   18                                                      
CONECT   40   19                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   20                                                      
CONECT   44   21                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   25                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
