COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  S   UNL     1       1.296   1.855  -1.301  1.00  0.00           S  
HETATM    2  C   UNL     1      -0.116   1.105  -0.687  1.00  0.00           C  
HETATM    3  N   UNL     1      -1.095   1.877  -0.188  1.00  0.00           N  
HETATM    4  N   UNL     1      -0.207  -0.236  -0.726  1.00  0.00           N  
HETATM    5  C   UNL     1       0.895  -1.020  -1.289  1.00  0.00           C  
HETATM    6  C   UNL     1       1.889  -1.372  -0.180  1.00  0.00           C  
HETATM    7  O   UNL     1       2.405  -0.171   0.397  1.00  0.00           O  
HETATM    8  C   UNL     1       2.763  -0.295   1.775  1.00  0.00           C  
HETATM    9  C   UNL     1       3.300   1.044   2.284  1.00  0.00           C  
HETATM   10  C   UNL     1       3.040  -2.191  -0.767  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.322  -0.880  -0.243  1.00  0.00           C  
HETATM   12  N   UNL     1      -1.701  -2.182  -0.145  1.00  0.00           N  
HETATM   13  C   UNL     1      -2.937  -2.209   0.431  1.00  0.00           C  
HETATM   14  N   UNL     1      -3.326  -0.993   0.687  1.00  0.00           N  
HETATM   15  C   UNL     1      -2.362  -0.128   0.289  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.229   1.330   0.302  1.00  0.00           C  
HETATM   17  O   UNL     1      -3.118   2.033   0.747  1.00  0.00           O  
HETATM   18  H   UNL     1      -0.987   2.841  -0.180  1.00  0.00           H  
HETATM   19  H   UNL     1       0.502  -1.936  -1.729  1.00  0.00           H  
HETATM   20  H   UNL     1       1.401  -0.436  -2.057  1.00  0.00           H  
HETATM   21  H   UNL     1       1.383  -1.956   0.589  1.00  0.00           H  
HETATM   22  H   UNL     1       1.884  -0.578   2.354  1.00  0.00           H  
HETATM   23  H   UNL     1       3.532  -1.059   1.883  1.00  0.00           H  
HETATM   24  H   UNL     1       4.179   1.328   1.705  1.00  0.00           H  
HETATM   25  H   UNL     1       2.531   1.809   2.176  1.00  0.00           H  
HETATM   26  H   UNL     1       3.573   0.950   3.336  1.00  0.00           H  
HETATM   27  H   UNL     1       2.646  -3.108  -1.207  1.00  0.00           H  
HETATM   28  H   UNL     1       3.546  -1.607  -1.536  1.00  0.00           H  
HETATM   29  H   UNL     1       3.748  -2.442   0.023  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.185  -2.952  -0.433  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.506  -3.102   0.643  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    3    4    1    1                                       
CONECT    3   16    2   18                                            
CONECT    4   11    2    5                                            
CONECT    5    4    6   19   20                                       
CONECT    6   10    5    7   21                                       
CONECT    7    6    8                                                 
CONECT    8    7    9   22   23                                       
CONECT    9    8   24   25   26                                       
CONECT   10    6   27   28   29                                       
CONECT   11   15   15   12    4                                       
CONECT   12   13   11   30                                            
CONECT   13   14   14   12   31                                       
CONECT   14   15   13   13                                            
CONECT   15   16   14   11   11                                       
CONECT   16   17   17   15    3                                       
CONECT   17   16   16                                                 
CONECT   18    3                                                      
CONECT   19    5                                                      
CONECT   20    5                                                      
CONECT   21    6                                                      
CONECT   22    8                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25    9                                                      
CONECT   26    9                                                      
CONECT   27   10                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   12                                                      
CONECT   31   13                                                      
MASTER        0    0    0    0    0    0    0    0   31    0   31    0
END
