COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.498   1.748   1.082  1.00  0.00           C  
HETATM    2  C   UNL     1       3.704   1.072  -0.772  1.00  0.00           C  
HETATM    3  C   UNL     1       3.131  -0.206  -0.652  1.00  0.00           C  
HETATM    4  C   UNL     1       2.479  -2.270  -0.800  1.00  0.00           C  
HETATM    5  C   UNL     1       0.872  -2.441   1.140  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.227   4.026  -0.276  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.394   2.529  -0.335  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.509   1.878  -0.723  1.00  0.00           C  
HETATM    9  C   UNL     1      -4.237   0.500  -0.629  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.954   0.383  -0.183  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.238  -0.877   0.065  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.533  -2.191   0.657  1.00  0.00           C  
HETATM   13  C   UNL     1       2.214  -0.430   0.388  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.372  -3.191   0.367  1.00  0.00           C  
HETATM   15  N   UNL     1      -1.009  -0.978   0.492  1.00  0.00           N  
HETATM   16  N   UNL     1       1.820  -1.739   0.270  1.00  0.00           N  
HETATM   17  N   UNL     1       3.241  -1.367  -1.345  1.00  0.00           N  
HETATM   18  N   UNL     1       4.604   1.351  -1.785  1.00  0.00           N  
HETATM   19  N   UNL     1       3.362   2.006   0.108  1.00  0.00           N  
HETATM   20  N   UNL     1       2.174   2.757   1.974  1.00  0.00           N  
HETATM   21  N   UNL     1       1.932   0.561   1.227  1.00  0.00           N  
HETATM   22  O   UNL     1      -2.455   1.624  -0.015  1.00  0.00           O  
HETATM   23  S   UNL     1      -2.903  -2.493  -0.159  1.00  0.00           S  
HETATM   24  H   UNL     1       2.383  -3.289  -1.144  1.00  0.00           H  
HETATM   25  H   UNL     1       0.976  -2.073   2.161  1.00  0.00           H  
HETATM   26  H   UNL     1       1.081  -3.510   1.115  1.00  0.00           H  
HETATM   27  H   UNL     1      -2.221   4.266   0.068  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.381   4.448  -1.269  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.957   4.446   0.415  1.00  0.00           H  
HETATM   30  H   UNL     1      -5.436   2.329  -1.044  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.913  -0.308  -0.864  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.150  -4.245   0.442  1.00  0.00           H  
HETATM   33  H   UNL     1       4.993   2.236  -1.858  1.00  0.00           H  
HETATM   34  H   UNL     1       4.847   0.660  -2.421  1.00  0.00           H  
HETATM   35  H   UNL     1       2.577   3.635   1.880  1.00  0.00           H  
HETATM   36  H   UNL     1       1.545   2.587   2.692  1.00  0.00           H  
CONECT    1   21   21   19   20                                       
CONECT    2    3   18   19   19                                       
CONECT    3   17   13   13    2                                       
CONECT    4   16   17   17   24                                       
CONECT    5   12   16   25   26                                       
CONECT    6    7   27   28   29                                       
CONECT    7    6   22    8    8                                       
CONECT    8    7    7    9   30                                       
CONECT    9    8   10   10   31                                       
CONECT   10   22   11    9    9                                       
CONECT   11   23   10   15   15                                       
CONECT   12   14   14   15    5                                       
CONECT   13   16    3    3   21                                       
CONECT   14   23   12   12   32                                       
CONECT   15   11   11   12                                            
CONECT   16    5    4   13                                            
CONECT   17    4    4    3                                            
CONECT   18    2   33   34                                            
CONECT   19    2    2    1                                            
CONECT   20    1   35   36                                            
CONECT   21   13    1    1                                            
CONECT   22    7   10                                                 
CONECT   23   11   14                                                 
CONECT   24    4                                                      
CONECT   25    5                                                      
CONECT   26    5                                                      
CONECT   27    6                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   14                                                      
CONECT   33   18                                                      
CONECT   34   18                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
