COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.723  -3.424   0.159  1.00  0.00           C  
HETATM    2  C   UNL     1       4.636  -1.137   0.159  1.00  0.00           C  
HETATM    3  C   UNL     1       3.217  -1.719   0.061  1.00  0.00           C  
HETATM    4  C   UNL     1       2.384  -1.281   1.262  1.00  0.00           C  
HETATM    5  C   UNL     1       2.182   0.236   1.212  1.00  0.00           C  
HETATM    6  C   UNL     1       1.192   1.953  -0.066  1.00  0.00           C  
HETATM    7  C   UNL     1       2.180   2.930   0.044  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.419   3.734  -0.219  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.142   2.371  -0.200  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.236   1.377  -0.321  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.366   1.473   0.482  1.00  0.00           C  
HETATM   12  C   UNL     1      -4.683   0.520   1.179  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.312  -0.490  -0.535  1.00  0.00           C  
HETATM   14  O   UNL     1       5.170  -4.554   0.181  1.00  0.00           O  
HETATM   15  N   UNL     1       5.496  -2.330   0.214  1.00  0.00           N  
HETATM   16  N   UNL     1       1.519   0.601  -0.047  1.00  0.00           N  
HETATM   17  C   UNL     1       2.346   0.243  -1.207  1.00  0.00           C  
HETATM   18  C   UNL     1       2.553  -1.273  -1.238  1.00  0.00           C  
HETATM   19 CL   UNL     1       3.848   2.479   0.212  1.00  0.00          Cl  
HETATM   20  C   UNL     1       1.816   4.261   0.016  1.00  0.00           C  
HETATM   21  N   UNL     1       0.552   4.620  -0.112  1.00  0.00           N  
HETATM   22  C   UNL     1      -3.393   0.546   0.373  1.00  0.00           C  
HETATM   23  S   UNL     1      -5.535  -0.951   0.510  1.00  0.00           S  
HETATM   24  O   UNL     1      -5.573  -2.007   1.460  1.00  0.00           O  
HETATM   25  O   UNL     1      -6.677  -0.588  -0.254  1.00  0.00           O  
HETATM   26  N   UNL     1      -4.380  -1.397  -0.600  1.00  0.00           N  
HETATM   27  C   UNL     1      -4.467  -2.547  -1.503  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.164  -0.576  -1.349  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.147   0.337  -1.245  1.00  0.00           C  
HETATM   30  O   UNL     1       3.414  -3.157   0.070  1.00  0.00           O  
HETATM   31  H   UNL     1       4.867  -0.538  -0.722  1.00  0.00           H  
HETATM   32  H   UNL     1       4.745  -0.541   1.065  1.00  0.00           H  
HETATM   33  H   UNL     1       1.414  -1.778   1.232  1.00  0.00           H  
HETATM   34  H   UNL     1       2.902  -1.549   2.182  1.00  0.00           H  
HETATM   35  H   UNL     1       1.561   0.548   2.052  1.00  0.00           H  
HETATM   36  H   UNL     1       3.150   0.734   1.270  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.440   4.071  -0.322  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.447   2.277   1.198  1.00  0.00           H  
HETATM   39  H   UNL     1      -4.474   0.396   2.242  1.00  0.00           H  
HETATM   40  H   UNL     1      -5.269   1.422   1.001  1.00  0.00           H  
HETATM   41  H   UNL     1       6.464  -2.326   0.280  1.00  0.00           H  
HETATM   42  H   UNL     1       1.845   0.560  -2.122  1.00  0.00           H  
HETATM   43  H   UNL     1       3.313   0.741  -1.132  1.00  0.00           H  
HETATM   44  H   UNL     1       3.192  -1.536  -2.082  1.00  0.00           H  
HETATM   45  H   UNL     1       1.589  -1.770  -1.343  1.00  0.00           H  
HETATM   46  H   UNL     1       2.578   5.022   0.100  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.570  -2.592  -2.120  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.552  -3.463  -0.918  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.343  -2.442  -2.142  1.00  0.00           H  
HETATM   50  H   UNL     1      -2.084  -1.377  -2.069  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.277   0.251  -1.880  1.00  0.00           H  
CONECT    1   14   14   30   15                                       
CONECT    2   15    3   31   32                                       
CONECT    3   30    4    2   18                                       
CONECT    4    3    5   33   34                                       
CONECT    5    4   16   35   36                                       
CONECT    6    7   16    9    9                                       
CONECT    7   19   20   20    6                                       
CONECT    8   21   21    9   37                                       
CONECT    9    6    6    8   10                                       
CONECT   10    9   11   11   29                                       
CONECT   11   10   10   22   38                                       
CONECT   12   22   23   39   40                                       
CONECT   13   22   22   28   26                                       
CONECT   14    1    1                                                 
CONECT   15    1    2   41                                            
CONECT   16    5    6   17                                            
CONECT   17   18   16   42   43                                       
CONECT   18    3   17   44   45                                       
CONECT   19    7                                                      
CONECT   20    7    7   21   46                                       
CONECT   21   20    8    8                                            
CONECT   22   11   12   13   13                                       
CONECT   23   12   25   25   24                                       
CONECT   23   24   26                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   23   13   27                                            
CONECT   27   26   47   48   49                                       
CONECT   28   29   29   13   50                                       
CONECT   29   10   28   28   51                                       
CONECT   30    1    3                                                 
CONECT   31    2                                                      
CONECT   32    2                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    8                                                      
CONECT   38   11                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   15                                                      
CONECT   42   17                                                      
CONECT   43   17                                                      
CONECT   44   18                                                      
CONECT   45   18                                                      
CONECT   46   20                                                      
CONECT   47   27                                                      
CONECT   48   27                                                      
CONECT   49   27                                                      
CONECT   50   28                                                      
CONECT   51   29                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
