COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.257   0.399  -0.317  1.00  0.00           C  
HETATM    2  C   UNL     1      -4.412   1.487   0.294  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.282  -0.916  -0.345  1.00  0.00           C  
HETATM    4  B   UNL     1       4.464   0.547   0.355  1.00  0.00           B  
HETATM    5  C   UNL     1      -3.552  -2.018  -0.742  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.183  -1.919  -0.914  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.539  -0.712  -0.707  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.049  -0.611  -0.910  1.00  0.00           C  
HETATM    9  C   UNL     1       2.960   0.465  -0.089  1.00  0.00           C  
HETATM   10  C   UNL     1       2.867   0.637  -1.607  1.00  0.00           C  
HETATM   11  C   UNL     1       3.443   1.998  -2.002  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.637   0.303  -0.130  1.00  0.00           C  
HETATM   13  N   UNL     1       2.410  -0.839   0.289  1.00  0.00           N  
HETATM   14  O   UNL     1       5.407  -0.385  -0.154  1.00  0.00           O  
HETATM   15  O   UNL     1       4.881   1.553   1.267  1.00  0.00           O  
HETATM   16  O   UNL     1       0.561   0.039   1.605  1.00  0.00           O  
HETATM   17  O   UNL     1       0.640  -2.356   0.988  1.00  0.00           O  
HETATM   18  O   UNL     1      -3.849   2.547   0.481  1.00  0.00           O  
HETATM   19  O   UNL     1      -5.744   1.392   0.474  1.00  0.00           O  
HETATM   20  S   UNL     1       0.800  -0.985   0.649  1.00  0.00           S  
HETATM   21  H   UNL     1      -1.752   1.339  -0.151  1.00  0.00           H  
HETATM   22  H   UNL     1      -5.350  -0.997  -0.203  1.00  0.00           H  
HETATM   23  H   UNL     1      -4.049  -2.962  -0.909  1.00  0.00           H  
HETATM   24  H   UNL     1      -1.617  -2.784  -1.224  1.00  0.00           H  
HETATM   25  H   UNL     1       0.264  -1.323  -1.673  1.00  0.00           H  
HETATM   26  H   UNL     1       0.207   0.400  -1.229  1.00  0.00           H  
HETATM   27  H   UNL     1       2.393   1.255   0.401  1.00  0.00           H  
HETATM   28  H   UNL     1       3.435  -0.154  -2.098  1.00  0.00           H  
HETATM   29  H   UNL     1       1.824   0.580  -1.916  1.00  0.00           H  
HETATM   30  H   UNL     1       4.486   2.055  -1.693  1.00  0.00           H  
HETATM   31  H   UNL     1       3.376   2.121  -3.083  1.00  0.00           H  
HETATM   32  H   UNL     1       2.875   2.789  -1.511  1.00  0.00           H  
HETATM   33  H   UNL     1       2.988  -1.617   0.328  1.00  0.00           H  
HETATM   34  H   UNL     1       5.030  -1.031  -0.767  1.00  0.00           H  
HETATM   35  H   UNL     1       5.823   1.523   1.481  1.00  0.00           H  
HETATM   36  H   UNL     1      -6.208   2.194   0.752  1.00  0.00           H  
CONECT    1    7    7   12   21                                       
CONECT    2   18   18   12   19                                       
CONECT    3   12   12    5   22                                       
CONECT    4   14    9   15                                            
CONECT    5    6    6    3   23                                       
CONECT    6    7    5    5   24                                       
CONECT    7    8    1    1    6                                       
CONECT    8   20    7   25   26                                       
CONECT    9   10   13    4   27                                       
CONECT   10   11    9   28   29                                       
CONECT   11   10   30   31   32                                       
CONECT   12    1    2    3    3                                       
CONECT   13   20    9   33                                            
CONECT   14    4   34                                                 
CONECT   15    4   35                                                 
CONECT   16   20   20                                                 
CONECT   17   20   20                                                 
CONECT   18    2    2                                                 
CONECT   19    2   36                                                 
CONECT   20   17   17   13   16                                       
CONECT   20   16    8                                                 
CONECT   21    1                                                      
CONECT   22    3                                                      
CONECT   23    5                                                      
CONECT   24    6                                                      
CONECT   25    8                                                      
CONECT   26    8                                                      
CONECT   27    9                                                      
CONECT   28   10                                                      
CONECT   29   10                                                      
CONECT   30   11                                                      
CONECT   31   11                                                      
CONECT   32   11                                                      
CONECT   33   13                                                      
CONECT   34   14                                                      
CONECT   35   15                                                      
CONECT   36   19                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
