COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       3.812   1.395  -0.474  1.00  0.00           N  
HETATM    2  N   UNL     1      -7.062  -0.812  -0.283  1.00  0.00           N  
HETATM    3  C   UNL     1       4.732   0.424  -0.288  1.00  0.00           C  
HETATM    4  C   UNL     1       0.605  -0.261   0.497  1.00  0.00           C  
HETATM    5  C   UNL     1       0.026  -1.262  -0.515  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.260  -0.600  -0.060  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.972   0.744   0.164  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.314   1.282   0.174  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.980  -0.480  -0.186  1.00  0.00           C  
HETATM   10  C   UNL     1       2.483   1.142  -0.209  1.00  0.00           C  
HETATM   11  C   UNL     1       2.071  -0.046   0.225  1.00  0.00           C  
HETATM   12  N   UNL     1       2.953  -1.085   0.433  1.00  0.00           N  
HETATM   13  C   UNL     1       4.272  -0.905   0.203  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.313  -1.564  -0.152  1.00  0.00           O  
HETATM   15  S   UNL     1      -0.301   1.303   0.285  1.00  0.00           S  
HETATM   16  C   UNL     1      -4.616  -0.062  -0.063  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.001   1.675   0.285  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.586  -0.996  -0.179  1.00  0.00           C  
HETATM   19  O   UNL     1       5.908   0.629  -0.517  1.00  0.00           O  
HETATM   20  O   UNL     1       5.063  -1.810   0.381  1.00  0.00           O  
HETATM   21  H   UNL     1       4.087   2.271  -0.789  1.00  0.00           H  
HETATM   22  H   UNL     1       0.465  -0.635   1.511  1.00  0.00           H  
HETATM   23  H   UNL     1       0.043  -0.824  -1.513  1.00  0.00           H  
HETATM   24  H   UNL     1       0.621  -2.176  -0.505  1.00  0.00           H  
HETATM   25  H   UNL     1      -5.109   2.008   0.270  1.00  0.00           H  
HETATM   26  H   UNL     1       1.757   1.929  -0.358  1.00  0.00           H  
HETATM   27  H   UNL     1       2.628  -1.942   0.750  1.00  0.00           H  
HETATM   28  H   UNL     1      -2.765   2.713   0.468  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.821  -2.034  -0.363  1.00  0.00           H  
CONECT    1    3   10   21                                            
CONECT    2    9    9    9                                            
CONECT    3   13   19   19    1                                       
CONECT    4   11   15    5   22                                       
CONECT    5    4   14   23   24                                       
CONECT    6    7    7   14   18                                       
CONECT    7   15   17    6    6                                       
CONECT    8   17   17   16   25                                       
CONECT    9   16    2    2    2                                       
CONECT   10   11   11    1   26                                       
CONECT   11   12    4   10   10                                       
CONECT   12   13   11   27                                            
CONECT   13   20   20   12    3                                       
CONECT   14    5    6                                                 
CONECT   15    4    7                                                 
CONECT   16    8   18   18    9                                       
CONECT   17    7    8    8   28                                       
CONECT   18    6   16   16   29                                       
CONECT   19    3    3                                                 
CONECT   20   13   13                                                 
CONECT   21    1                                                      
CONECT   22    4                                                      
CONECT   23    5                                                      
CONECT   24    5                                                      
CONECT   25    8                                                      
CONECT   26   10                                                      
CONECT   27   12                                                      
CONECT   28   17                                                      
CONECT   29   18                                                      
MASTER        0    0    0    0    0    0    0    0   29    0   29    0
END
