COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.673   3.027  -0.820  1.00  0.00           C  
HETATM    2  C   UNL     1       4.729   1.579  -0.406  1.00  0.00           C  
HETATM    3  C   UNL     1       3.622   0.770  -0.572  1.00  0.00           C  
HETATM    4  C   UNL     1       5.892   1.060   0.135  1.00  0.00           C  
HETATM    5  C   UNL     1       5.950  -0.270   0.510  1.00  0.00           C  
HETATM    6  C   UNL     1       7.220  -0.832   1.094  1.00  0.00           C  
HETATM    7  C   UNL     1       4.846  -1.084   0.347  1.00  0.00           C  
HETATM    8  C   UNL     1       3.676  -0.564  -0.191  1.00  0.00           C  
HETATM    9  N   UNL     1       2.556  -1.387  -0.358  1.00  0.00           N  
HETATM   10  C   UNL     1       1.318  -0.882  -0.185  1.00  0.00           C  
HETATM   11  O   UNL     1       1.170   0.305   0.033  1.00  0.00           O  
HETATM   12  N   UNL     1       0.244  -1.694  -0.253  1.00  0.00           N  
HETATM   13  C   UNL     1      -1.046  -1.157  -0.170  1.00  0.00           C  
HETATM   14  C   UNL     1      -2.081  -1.717  -0.907  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.353  -1.184  -0.822  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.595  -0.095  -0.006  1.00  0.00           C  
HETATM   17  S   UNL     1      -5.219   0.582   0.098  1.00  0.00           S  
HETATM   18  O   UNL     1      -5.065   1.931   0.516  1.00  0.00           O  
HETATM   19  O   UNL     1      -5.886   0.211  -1.100  1.00  0.00           O  
HETATM   20  N   UNL     1      -5.999  -0.204   1.330  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.566   0.465   0.729  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.293  -0.066   0.653  1.00  0.00           C  
HETATM   23  H   UNL     1       4.331   3.631   0.020  1.00  0.00           H  
HETATM   24  H   UNL     1       5.666   3.357  -1.125  1.00  0.00           H  
HETATM   25  H   UNL     1       3.980   3.139  -1.654  1.00  0.00           H  
HETATM   26  H   UNL     1       2.716   1.175  -0.998  1.00  0.00           H  
HETATM   27  H   UNL     1       6.756   1.694   0.264  1.00  0.00           H  
HETATM   28  H   UNL     1       7.850  -1.217   0.292  1.00  0.00           H  
HETATM   29  H   UNL     1       7.753  -0.046   1.630  1.00  0.00           H  
HETATM   30  H   UNL     1       6.976  -1.640   1.784  1.00  0.00           H  
HETATM   31  H   UNL     1       4.892  -2.122   0.640  1.00  0.00           H  
HETATM   32  H   UNL     1       2.670  -2.319  -0.599  1.00  0.00           H  
HETATM   33  H   UNL     1       0.365  -2.651  -0.360  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.893  -2.567  -1.545  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.159  -1.619  -1.395  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.685   0.255   1.840  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.770  -1.122   1.541  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.759   1.316   1.365  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.491   0.369   1.230  1.00  0.00           H  
CONECT    1    2   23   24   25                                       
CONECT    2    4    4    3    1                                       
CONECT    3    8    8    2   26                                       
CONECT    4    5    2    2   27                                       
CONECT    5    6    7    7    4                                       
CONECT    6    5   28   29   30                                       
CONECT    7    5    5    8   31                                       
CONECT    8    7    9    3    3                                       
CONECT    9    8   10   32                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   33                                            
CONECT   13   12   14   14   22                                       
CONECT   14   13   13   15   34                                       
CONECT   15   14   16   16   35                                       
CONECT   16   15   15   21   17                                       
CONECT   17   16   19   19   20                                       
CONECT   17   18   18                                                 
CONECT   18   17   17                                                 
CONECT   19   17   17                                                 
CONECT   20   17   36   37                                            
CONECT   21   22   22   16   38                                       
CONECT   22   13   21   21   39                                       
CONECT   23    1                                                      
CONECT   24    1                                                      
CONECT   25    1                                                      
CONECT   26    3                                                      
CONECT   27    4                                                      
CONECT   28    6                                                      
CONECT   29    6                                                      
CONECT   30    6                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   12                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   20                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   22                                                      
MASTER        0    0    0    0    0    0    0    0   39    0   39    0
END
