COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.062  -2.191   0.001  1.00  0.00           C  
HETATM    2  C   UNL     1       2.276   0.483   0.000  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.033   1.024   0.000  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.452   0.609   0.001  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.464   1.571   0.001  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.786   1.177   0.001  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.110  -0.169   0.000  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.112  -1.127   0.001  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.786  -0.746  -0.005  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.556  -0.592   0.000  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.641  -2.119   0.000  1.00  0.00           C  
HETATM   12  S   UNL     1       5.931  -0.594   0.000  1.00  0.00           S  
HETATM   13  C   UNL     1       3.581  -1.815   0.000  1.00  0.00           C  
HETATM   14  N   UNL     1       3.370  -0.369   0.000  1.00  0.00           N  
HETATM   15  C   UNL     1       4.476   0.412   0.000  1.00  0.00           C  
HETATM   16  N   UNL     1       4.109   1.677  -0.001  1.00  0.00           N  
HETATM   17  N   UNL     1       2.711   1.714  -0.001  1.00  0.00           N  
HETATM   18  N   UNL     1       0.941   0.093   0.000  1.00  0.00           N  
HETATM   19  O   UNL     1       0.255   2.205   0.000  1.00  0.00           O  
HETATM   20  C   UNL     1      -6.248  -0.043   1.249  1.00  0.00           C  
HETATM   21  C   UNL     1      -6.248  -0.042  -1.249  1.00  0.00           C  
HETATM   22  H   UNL     1       5.311  -2.760  -0.895  1.00  0.00           H  
HETATM   23  H   UNL     1       5.311  -2.760   0.897  1.00  0.00           H  
HETATM   24  H   UNL     1      -2.212   2.621   0.001  1.00  0.00           H  
HETATM   25  H   UNL     1      -4.569   1.920   0.001  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.372  -2.175   0.001  1.00  0.00           H  
HETATM   27  H   UNL     1      -1.008  -1.495  -0.005  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.148  -2.510  -0.890  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.148  -2.510   0.890  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.687  -2.425   0.000  1.00  0.00           H  
HETATM   31  H   UNL     1       3.110  -2.240  -0.885  1.00  0.00           H  
HETATM   32  H   UNL     1       3.109  -2.240   0.886  1.00  0.00           H  
HETATM   33  H   UNL     1       0.712  -0.850   0.001  1.00  0.00           H  
HETATM   34  H   UNL     1      -7.294  -0.349   1.249  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.755  -0.434   2.139  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.188   1.046   1.250  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.755  -0.433  -2.139  1.00  0.00           H  
HETATM   38  H   UNL     1      -7.294  -0.348  -1.249  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.188   1.046  -1.249  1.00  0.00           H  
CONECT    1   13   12   22   23                                       
CONECT    2   18   14   17   17                                       
CONECT    3    4   18   19   19                                       
CONECT    4    9    9    5    3                                       
CONECT    5    6    6    4   24                                       
CONECT    6    7    5    5   25                                       
CONECT    7   10    8    8    6                                       
CONECT    8    7    7    9   26                                       
CONECT    9    8    4    4   27                                       
CONECT   10   11   21    7   20                                       
CONECT   11   10   28   29   30                                       
CONECT   12    1   15                                                 
CONECT   13    1   14   31   32                                       
CONECT   14   13    2   15                                            
CONECT   15   14   12   16   16                                       
CONECT   16   15   15   17                                            
CONECT   17    2    2   16                                            
CONECT   18    3    2   33                                            
CONECT   19    3    3                                                 
CONECT   20   10   34   35   36                                       
CONECT   21   10   37   38   39                                       
CONECT   22    1                                                      
CONECT   23    1                                                      
CONECT   24    5                                                      
CONECT   25    6                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   11                                                      
CONECT   29   11                                                      
CONECT   30   11                                                      
CONECT   31   13                                                      
CONECT   32   13                                                      
CONECT   33   18                                                      
CONECT   34   20                                                      
CONECT   35   20                                                      
CONECT   36   20                                                      
CONECT   37   21                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
