COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.920  -3.523  -0.093  1.00  0.00           C  
HETATM    2  C   UNL     1       5.127  -2.243  -0.029  1.00  0.00           C  
HETATM    3  C   UNL     1       4.662  -1.659  -1.193  1.00  0.00           C  
HETATM    4  C   UNL     1       3.935  -0.485  -1.134  1.00  0.00           C  
HETATM    5  C   UNL     1       3.672   0.105   0.089  1.00  0.00           C  
HETATM    6  C   UNL     1       4.135  -0.480   1.252  1.00  0.00           C  
HETATM    7  C   UNL     1       4.858  -1.657   1.194  1.00  0.00           C  
HETATM    8  C   UNL     1       0.490   0.990   1.477  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.789   0.669   1.212  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.920   0.667  -0.249  1.00  0.00           C  
HETATM   11  C   UNL     1       0.313   0.993  -0.741  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.135   0.374  -1.028  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.492  -0.226  -1.169  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.629  -0.537  -0.229  1.00  0.00           C  
HETATM   15  C   UNL     1      -7.337  -0.312   1.060  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.019  -1.617   1.040  1.00  0.00           C  
HETATM   17  N   UNL     1       1.149   1.184   0.298  1.00  0.00           N  
HETATM   18  N   UNL     1      -3.284   0.066  -0.394  1.00  0.00           N  
HETATM   19  N   UNL     1      -6.463   0.332   0.266  1.00  0.00           N  
HETATM   20  O   UNL     1       3.100   2.232   1.387  1.00  0.00           O  
HETATM   21  O   UNL     1       2.891   2.228  -1.104  1.00  0.00           O  
HETATM   22  O   UNL     1      -2.101   0.408  -2.243  1.00  0.00           O  
HETATM   23  O   UNL     1      -5.951  -1.754   0.230  1.00  0.00           O  
HETATM   24  S   UNL     1       2.746   1.602   0.163  1.00  0.00           S  
HETATM   25  H   UNL     1       5.241  -4.374  -0.039  1.00  0.00           H  
HETATM   26  H   UNL     1       6.475  -3.560  -1.031  1.00  0.00           H  
HETATM   27  H   UNL     1       6.617  -3.561   0.744  1.00  0.00           H  
HETATM   28  H   UNL     1       4.868  -2.119  -2.148  1.00  0.00           H  
HETATM   29  H   UNL     1       3.573  -0.028  -2.043  1.00  0.00           H  
HETATM   30  H   UNL     1       3.930  -0.020   2.207  1.00  0.00           H  
HETATM   31  H   UNL     1       5.217  -2.116   2.103  1.00  0.00           H  
HETATM   32  H   UNL     1       0.924   1.084   2.461  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.565   0.454   1.932  1.00  0.00           H  
HETATM   34  H   UNL     1       0.573   1.082  -1.786  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.310  -1.084  -1.816  1.00  0.00           H  
HETATM   36  H   UNL     1      -8.149   0.138   1.611  1.00  0.00           H  
HETATM   37  H   UNL     1      -7.525  -2.409   1.573  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.751   0.640  -1.779  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.311   0.038   0.575  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2    3    1    7    7                                       
CONECT    3    4    4    2   28                                       
CONECT    4    3    3    5   29                                       
CONECT    5    4   24    6    6                                       
CONECT    6    5    5    7   30                                       
CONECT    7    2    2    6   31                                       
CONECT    8    9    9   17   32                                       
CONECT    9   10    8    8   33                                       
CONECT   10   12    9   11   11                                       
CONECT   11   10   10   17   34                                       
CONECT   12   18   22   22   10                                       
CONECT   13   14   18   35   38                                       
CONECT   14   23   19   19   13                                       
CONECT   15   16   16   19   36                                       
CONECT   16   15   15   23   37                                       
CONECT   17    8   11   24                                            
CONECT   18   13   12   39                                            
CONECT   19   15   14   14                                            
CONECT   20   24   24                                                 
CONECT   21   24   24                                                 
CONECT   22   12   12                                                 
CONECT   23   16   14                                                 
CONECT   24   17   21   21    5                                       
CONECT   24   20   20                                                 
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    3                                                      
CONECT   29    4                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    8                                                      
CONECT   33    9                                                      
CONECT   34   11                                                      
CONECT   35   13                                                      
CONECT   36   15                                                      
CONECT   37   16                                                      
CONECT   38   13                                                      
CONECT   39   18                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
