COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       0.545   1.778  -0.266  1.00  0.00           C  
HETATM    2  C   UNL     1       2.002   1.968  -0.341  1.00  0.00           C  
HETATM    3  C   UNL     1       4.280   1.114  -0.210  1.00  0.00           C  
HETATM    4  N   UNL     1       2.830   0.924  -0.136  1.00  0.00           N  
HETATM    5  N   UNL     1      -2.056  -0.585   0.302  1.00  0.00           N  
HETATM    6 CL   UNL     1      -3.579  -2.778  -1.009  1.00  0.00          Cl  
HETATM    7  C   UNL     1      -4.270  -1.449  -0.132  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.641  -1.349   0.006  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.192  -0.290   0.705  1.00  0.00           C  
HETATM   10  C   UNL     1      -5.374   0.671   1.268  1.00  0.00           C  
HETATM   11  C   UNL     1      -4.002   0.577   1.135  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.444  -0.487   0.439  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.304   0.548   0.040  1.00  0.00           C  
HETATM   14  S   UNL     1      -1.962   2.146  -0.299  1.00  0.00           S  
HETATM   15  C   UNL     1      -0.330   2.788  -0.468  1.00  0.00           C  
HETATM   16  N   UNL     1      -0.011   0.593   0.000  1.00  0.00           N  
HETATM   17  O   UNL     1       2.460   3.068  -0.587  1.00  0.00           O  
HETATM   18  H   UNL     1       4.550   1.472  -1.203  1.00  0.00           H  
HETATM   19  H   UNL     1       4.590   1.845   0.536  1.00  0.00           H  
HETATM   20  H   UNL     1       2.464   0.047   0.061  1.00  0.00           H  
HETATM   21  H   UNL     1      -1.620  -1.447   0.391  1.00  0.00           H  
HETATM   22  H   UNL     1      -6.284  -2.098  -0.433  1.00  0.00           H  
HETATM   23  H   UNL     1      -7.264  -0.214   0.811  1.00  0.00           H  
HETATM   24  H   UNL     1      -5.807   1.496   1.813  1.00  0.00           H  
HETATM   25  H   UNL     1      -3.363   1.326   1.579  1.00  0.00           H  
HETATM   26  H   UNL     1      -0.072   3.812  -0.694  1.00  0.00           H  
HETATM   27  C   UNL     1       4.973  -0.198   0.056  1.00  0.00           C  
HETATM   28  N   UNL     1       5.209  -0.571   1.299  1.00  0.00           N  
HETATM   29  C   UNL     1       5.811  -1.710   1.579  1.00  0.00           C  
HETATM   30  C   UNL     1       6.219  -2.561   0.569  1.00  0.00           C  
HETATM   31  C   UNL     1       5.988  -2.203  -0.750  1.00  0.00           C  
HETATM   32  C   UNL     1       5.347  -1.000  -1.005  1.00  0.00           C  
HETATM   33  H   UNL     1       5.988  -1.981   2.609  1.00  0.00           H  
HETATM   34  H   UNL     1       6.712  -3.492   0.804  1.00  0.00           H  
HETATM   35  H   UNL     1       6.296  -2.848  -1.560  1.00  0.00           H  
HETATM   36  H   UNL     1       5.151  -0.690  -2.021  1.00  0.00           H  
CONECT    1    2   15   15   16                                       
CONECT    2   17   17    4    1                                       
CONECT    3    4   18   19   27                                       
CONECT    4    3    2   20                                            
CONECT    5   13   12   21                                            
CONECT    6    7                                                      
CONECT    7   12    6    8    8                                       
CONECT    8    7    7    9   22                                       
CONECT    9   10   10    8   23                                       
CONECT   10   11    9    9   24                                       
CONECT   11   12   12   10   25                                       
CONECT   12    5   11   11    7                                       
CONECT   13   16   16   14    5                                       
CONECT   14   15   13                                                 
CONECT   15    1    1   14   26                                       
CONECT   16    1   13   13                                            
CONECT   17    2    2                                                 
CONECT   18    3                                                      
CONECT   19    3                                                      
CONECT   20    4                                                      
CONECT   21    5                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24   10                                                      
CONECT   25   11                                                      
CONECT   26   15                                                      
CONECT   27    3   28   32   32                                       
CONECT   28   27   29   29                                            
CONECT   29   28   28   30   33                                       
CONECT   30   29   31   31   34                                       
CONECT   31   30   30   32   35                                       
CONECT   32   31   27   27   36                                       
CONECT   33   29                                                      
CONECT   34   30                                                      
CONECT   35   31                                                      
CONECT   36   32                                                      
MASTER        0    0    0    0    0    0    0    0   36    0   36    0
END
