COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.277   1.671  -1.711  1.00  0.00           C  
HETATM    2  C   UNL     1       3.026   0.417  -1.640  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.190  -0.080   1.010  1.00  0.00           C  
HETATM    4  C   UNL     1       1.934   2.499   0.524  1.00  0.00           C  
HETATM    5  C   UNL     1       2.740   2.734  -0.720  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.389   0.484   0.326  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.904  -0.198  -1.357  1.00  0.00           C  
HETATM    8  C   UNL     1      -1.864  -0.366  -0.328  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.576  -0.796  -0.645  1.00  0.00           C  
HETATM   10  C   UNL     1       0.337  -0.924   0.389  1.00  0.00           C  
HETATM   11  C   UNL     1      -0.054  -0.625   1.683  1.00  0.00           C  
HETATM   12  C   UNL     1       2.739   1.667   1.553  1.00  0.00           C  
HETATM   13  C   UNL     1       3.558   0.571   0.827  1.00  0.00           C  
HETATM   14  N   UNL     1      -4.127   0.224  -0.965  1.00  0.00           N  
HETATM   15  N   UNL     1      -1.278  -0.214   1.957  1.00  0.00           N  
HETATM   16  N   UNL     1      -3.474   0.347   1.300  1.00  0.00           N  
HETATM   17  N   UNL     1       2.889  -0.113  -0.242  1.00  0.00           N  
HETATM   18  O   UNL     1      -5.505   0.862   0.626  1.00  0.00           O  
HETATM   19  O   UNL     1      -2.670  -0.433  -2.527  1.00  0.00           O  
HETATM   20  O   UNL     1       2.473  -2.014   1.276  1.00  0.00           O  
HETATM   21  O   UNL     1       1.929  -2.194  -1.157  1.00  0.00           O  
HETATM   22  S   UNL     1       1.981  -1.464   0.061  1.00  0.00           S  
HETATM   23  H   UNL     1       2.370   2.074  -2.720  1.00  0.00           H  
HETATM   24  H   UNL     1       1.225   1.458  -1.520  1.00  0.00           H  
HETATM   25  H   UNL     1       2.613  -0.300  -2.350  1.00  0.00           H  
HETATM   26  H   UNL     1       4.076   0.600  -1.867  1.00  0.00           H  
HETATM   27  H   UNL     1       1.669   3.459   0.968  1.00  0.00           H  
HETATM   28  H   UNL     1       1.021   1.961   0.264  1.00  0.00           H  
HETATM   29  H   UNL     1       3.803   2.616  -0.509  1.00  0.00           H  
HETATM   30  H   UNL     1       2.541   3.731  -1.115  1.00  0.00           H  
HETATM   31  H   UNL     1      -0.299  -1.023  -1.664  1.00  0.00           H  
HETATM   32  H   UNL     1       0.660  -0.726   2.487  1.00  0.00           H  
HETATM   33  H   UNL     1       3.417   2.324   2.097  1.00  0.00           H  
HETATM   34  H   UNL     1       2.051   1.198   2.256  1.00  0.00           H  
HETATM   35  H   UNL     1       4.460   1.031   0.424  1.00  0.00           H  
HETATM   36  H   UNL     1       3.863  -0.171   1.566  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.826   0.340  -1.627  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.717   0.548   2.217  1.00  0.00           H  
CONECT    1    5    2   23   24                                       
CONECT    2    1   17   25   26                                       
CONECT    3   15   15    8   16                                       
CONECT    4   12    5   27   28                                       
CONECT    5    4    1   29   30                                       
CONECT    6   16   14   18   18                                       
CONECT    7    8   19   19   14                                       
CONECT    8    9    9    3    7                                       
CONECT    9   10    8    8   31                                       
CONECT   10   22   11   11    9                                       
CONECT   11   10   10   15   32                                       
CONECT   12    4   13   33   34                                       
CONECT   13   12   17   35   36                                       
CONECT   14    7    6   37                                            
CONECT   15   11    3    3                                            
CONECT   16    3    6   38                                            
CONECT   17   13   22    2                                            
CONECT   18    6    6                                                 
CONECT   19    7    7                                                 
CONECT   20   22   22                                                 
CONECT   21   22   22                                                 
CONECT   22   21   21   17   20                                       
CONECT   22   20   10                                                 
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    4                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    9                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   12                                                      
CONECT   35   13                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   16                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
