COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.497   1.681   0.724  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.593   1.078  -0.148  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.161   1.462  -0.118  1.00  0.00           C  
HETATM    4  C   UNL     1       0.849   0.484  -0.047  1.00  0.00           C  
HETATM    5  C   UNL     1      -2.039   0.112  -1.049  1.00  0.00           C  
HETATM    6  C   UNL     1       0.224   2.803  -0.164  1.00  0.00           C  
HETATM    7  O   UNL     1      -5.943  -1.115   0.668  1.00  0.00           O  
HETATM    8  O   UNL     1       3.917  -0.509  -1.264  1.00  0.00           O  
HETATM    9  N   UNL     1       0.570  -3.047  -0.263  1.00  0.00           N  
HETATM   10  C   UNL     1      -5.721  -0.029  -0.235  1.00  0.00           C  
HETATM   11  N   UNL     1      -0.503  -2.779   0.396  1.00  0.00           N  
HETATM   12  N   UNL     1      -0.577  -1.504   0.576  1.00  0.00           N  
HETATM   13  C   UNL     1       2.178   0.894  -0.021  1.00  0.00           C  
HETATM   14  S   UNL     1       3.461  -0.310   0.067  1.00  0.00           S  
HETATM   15  O   UNL     1       2.968  -1.362   0.886  1.00  0.00           O  
HETATM   16  N   UNL     1       4.721   0.375   0.896  1.00  0.00           N  
HETATM   17  C   UNL     1       0.503  -0.958  -0.001  1.00  0.00           C  
HETATM   18  N   UNL     1       1.203  -1.952  -0.511  1.00  0.00           N  
HETATM   19  N   UNL     1       2.488   2.174  -0.062  1.00  0.00           N  
HETATM   20  C   UNL     1       1.568   3.117  -0.139  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.373  -0.241  -1.073  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.266   0.361  -0.205  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.829   1.320   0.691  1.00  0.00           C  
HETATM   24  H   UNL     1      -2.156   2.427   1.427  1.00  0.00           H  
HETATM   25  H   UNL     1      -1.343  -0.358  -1.727  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.519   3.584  -0.219  1.00  0.00           H  
HETATM   27  H   UNL     1      -6.860  -1.419   0.700  1.00  0.00           H  
HETATM   28  H   UNL     1       0.859  -3.935  -0.527  1.00  0.00           H  
HETATM   29  H   UNL     1      -5.994  -0.336  -1.245  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.332   0.822   0.064  1.00  0.00           H  
HETATM   31  H   UNL     1       4.648   1.285   1.224  1.00  0.00           H  
HETATM   32  H   UNL     1       5.532  -0.133   1.052  1.00  0.00           H  
HETATM   33  H   UNL     1       1.871   4.153  -0.170  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.720  -0.989  -1.770  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.530   1.783   1.370  1.00  0.00           H  
CONECT    1    2   23   23   24                                       
CONECT    2    3    5    5    1                                       
CONECT    3    6    6    4    2                                       
CONECT    4   13   13    3   17                                       
CONECT    5    2    2   21   25                                       
CONECT    6   20    3    3   26                                       
CONECT    7   10   27                                                 
CONECT    8   14   14                                                 
CONECT    9   18   11   28                                            
CONECT   10   22    7   29   30                                       
CONECT   11   12   12    9                                            
CONECT   12   17   11   11                                            
CONECT   13   19   14    4    4                                       
CONECT   14    8    8   13   15                                       
CONECT   14   15   16                                                 
CONECT   15   14   14                                                 
CONECT   16   14   31   32                                            
CONECT   17    4   18   18   12                                       
CONECT   18   17   17    9                                            
CONECT   19   20   20   13                                            
CONECT   20   19   19    6   33                                       
CONECT   21    5   22   22   34                                       
CONECT   22   21   21   23   10                                       
CONECT   23    1    1   22   35                                       
CONECT   24    1                                                      
CONECT   25    5                                                      
CONECT   26    6                                                      
CONECT   27    7                                                      
CONECT   28    9                                                      
CONECT   29   10                                                      
CONECT   30   10                                                      
CONECT   31   16                                                      
CONECT   32   16                                                      
CONECT   33   20                                                      
CONECT   34   21                                                      
CONECT   35   23                                                      
MASTER        0    0    0    0    0    0    0    0   35    0   35    0
END
