COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -2.804   1.597   2.717  1.00  0.00           O  
HETATM    2  C   UNL     1      -1.816   1.436   3.397  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.584   0.917   3.131  1.00  0.00           N  
HETATM    4  CA  UNL     1      -0.293  -0.183   2.224  1.00  0.00           C  
HETATM    5  C   UNL     1       0.284   0.410   0.979  1.00  0.00           C  
HETATM    6  O   UNL     1       0.534   1.595   0.817  1.00  0.00           O  
HETATM    7  OXT UNL     1       0.492  -0.549   0.044  1.00  0.00           O  
HETATM    8  C   UNL     1       0.617  -1.166   2.992  1.00  0.00           C  
HETATM    9  C   UNL     1       2.119  -0.921   2.778  1.00  0.00           C  
HETATM   10  C   UNL     1       0.289  -2.624   2.675  1.00  0.00           C  
HETATM   11  S   UNL     1       0.245  -0.762   4.711  1.00  0.00           S  
HETATM   12  C   UNL     1      -0.119   0.945   4.530  1.00  0.00           C  
HETATM   13  CA  UNL     1      -1.473   1.561   4.894  1.00  0.00           C  
HETATM   14  N   UNL     1      -2.344   0.800   5.801  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.071   0.669   7.149  1.00  0.00           C  
HETATM   16  O   UNL     1      -1.105   1.156   7.730  1.00  0.00           O  
HETATM   17  C   UNL     1      -3.135  -0.160   7.843  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.589  -1.402   8.499  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.525  -2.584   7.775  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.020  -3.734   8.382  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.584  -3.689   9.707  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.654  -2.495  10.424  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.159  -1.345   9.817  1.00  0.00           C  
HETATM   24  O   UNL     1      -1.232  -1.404   4.896  1.00  0.00           O  
HETATM   25  HA  UNL     1      -1.245  -0.656   1.954  1.00  0.00           H  
HETATM   26  HXT UNL     1       0.869  -0.179  -0.782  1.00  0.00           H  
HETATM   27  H   UNL     1       2.339   0.151   2.789  1.00  0.00           H  
HETATM   28  H   UNL     1       2.703  -1.401   3.569  1.00  0.00           H  
HETATM   29  H   UNL     1       2.441  -1.329   1.815  1.00  0.00           H  
HETATM   30  H   UNL     1       0.059  -3.174   3.592  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.576  -2.687   2.009  1.00  0.00           H  
HETATM   32  H   UNL     1       1.138  -3.111   2.185  1.00  0.00           H  
HETATM   33  H   UNL     1       1.130  -1.137   5.652  1.00  0.00           H  
HETATM   34  H   UNL     1       0.751   1.594   4.664  1.00  0.00           H  
HETATM   35  HA  UNL     1      -1.423   2.599   5.239  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.168   0.354   5.424  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.901  -0.439   7.109  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.634   0.466   8.593  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.862  -2.628   6.743  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.965  -4.664   7.824  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.191  -4.584  10.180  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.314  -2.460  11.455  1.00  0.00           H  
HETATM   43  H   UNL     1      -2.209  -0.419  10.383  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.527  -2.003   4.170  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   13                                       
CONECT    3    2    4   12                                            
CONECT    4    3    5    8   25                                       
CONECT    5    4    6    6    7                                       
CONECT    6    5    5                                                 
CONECT    7    5   26                                                 
CONECT    8    4    9   10   11                                       
CONECT    9    8   27   28   29                                       
CONECT   10    8   30   31   32                                       
CONECT   11    8   12   24   33                                       
CONECT   12    3   11   13   34                                       
CONECT   13    2   12   14   35                                       
CONECT   14   13   15   36                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   37   38                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   39                                       
CONECT   20   19   21   21   40                                       
CONECT   21   20   20   22   41                                       
CONECT   22   21   23   23   42                                       
CONECT   23   18   22   22   43                                       
CONECT   24   11   44                                                 
CONECT   25    4                                                      
CONECT   26    7                                                      
CONECT   27    9                                                      
CONECT   28    9                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   10                                                      
CONECT   32   10                                                      
CONECT   33   11                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   14                                                      
CONECT   37   17                                                      
CONECT   38   17                                                      
CONECT   39   19                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   22                                                      
CONECT   43   23                                                      
CONECT   44   24                                                      
MASTER        0    0    0    0    0    0    0    0   44    0   44    0
END
