COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.085   1.495  -0.232  1.00  0.00           O  
HETATM    2  C   UNL     1       5.848   2.049   0.220  1.00  0.00           C  
HETATM    3  CA  UNL     1       4.776   0.957   0.236  1.00  0.00           C  
HETATM    4  N   UNL     1       4.505   0.511  -1.138  1.00  0.00           N  
HETATM    5  C   UNL     1       3.754  -0.741  -1.033  1.00  0.00           C  
HETATM    6  C   UNL     1       2.505  -0.548  -0.214  1.00  0.00           C  
HETATM    7  C   UNL     1       1.468  -1.457  -0.353  1.00  0.00           C  
HETATM    8  C   UNL     1       0.310  -1.311   0.384  1.00  0.00           C  
HETATM    9  C   UNL     1       0.183  -0.254   1.266  1.00  0.00           C  
HETATM   10  C   UNL     1       1.214   0.654   1.404  1.00  0.00           C  
HETATM   11  C   UNL     1       2.375   0.507   0.664  1.00  0.00           C  
HETATM   12  C   UNL     1       3.484   1.515   0.836  1.00  0.00           C  
HETATM   13  S   UNL     1      -1.003  -2.472   0.203  1.00  0.00           S  
HETATM   14  O   UNL     1      -1.720  -2.437   1.430  1.00  0.00           O  
HETATM   15  O   UNL     1      -0.418  -3.630  -0.375  1.00  0.00           O  
HETATM   16  N   UNL     1      -2.040  -1.872  -0.941  1.00  0.00           N  
HETATM   17  C   UNL     1      -2.736  -0.685  -0.699  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.346   0.491  -1.326  1.00  0.00           C  
HETATM   19  C   UNL     1      -3.037   1.663  -1.085  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.116   1.666  -0.220  1.00  0.00           C  
HETATM   21  C   UNL     1      -4.507   0.495   0.407  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.824  -0.680   0.165  1.00  0.00           C  
HETATM   23 CL   UNL     1      -4.982   3.140   0.081  1.00  0.00          Cl  
HETATM   24  H   UNL     1       7.732   2.215  -0.227  1.00  0.00           H  
HETATM   25  H1  UNL     1       5.974   2.449   1.226  1.00  0.00           H  
HETATM   26  H2  UNL     1       5.541   2.849  -0.454  1.00  0.00           H  
HETATM   27  HA  UNL     1       5.123   0.114   0.835  1.00  0.00           H  
HETATM   28  H   UNL     1       5.397   0.281  -1.550  1.00  0.00           H  
HETATM   29  H   UNL     1       4.380  -1.497  -0.559  1.00  0.00           H  
HETATM   30  H   UNL     1       3.479  -1.079  -2.032  1.00  0.00           H  
HETATM   31  H   UNL     1       1.566  -2.284  -1.042  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.722  -0.138   1.845  1.00  0.00           H  
HETATM   33  H   UNL     1       1.115   1.480   2.093  1.00  0.00           H  
HETATM   34  H   UNL     1       3.633   1.714   1.897  1.00  0.00           H  
HETATM   35  H   UNL     1       3.217   2.440   0.326  1.00  0.00           H  
HETATM   36  H   UNL     1      -2.163  -2.344  -1.779  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.504   0.489  -2.002  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.733   2.578  -1.573  1.00  0.00           H  
HETATM   39  H   UNL     1      -5.350   0.501   1.082  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.130  -1.593   0.654  1.00  0.00           H  
CONECT    1    2   24                                                 
CONECT    2    1    3   25   26                                       
CONECT    3    2    4   12   27                                       
CONECT    4    3    5   28                                            
CONECT    5    4    6   29   30                                       
CONECT    6    5    7    7   11                                       
CONECT    7    6    6    8   31                                       
CONECT    8    7    9    9   13                                       
CONECT    9    8    8   10   32                                       
CONECT   10    9   11   11   33                                       
CONECT   11    6   10   10   12                                       
CONECT   12    3   11   34   35                                       
CONECT   13    8   14   14   15                                       
CONECT   13   15   16                                                 
CONECT   14   13   13                                                 
CONECT   15   13   13                                                 
CONECT   16   13   17   36                                            
CONECT   17   16   18   18   22                                       
CONECT   18   17   17   19   37                                       
CONECT   19   18   20   20   38                                       
CONECT   20   19   19   21   23                                       
CONECT   21   20   22   22   39                                       
CONECT   22   17   21   21   40                                       
CONECT   23   20                                                      
CONECT   24    1                                                      
CONECT   25    2                                                      
CONECT   26    2                                                      
CONECT   27    3                                                      
CONECT   28    4                                                      
CONECT   29    5                                                      
CONECT   30    5                                                      
CONECT   31    7                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   12                                                      
CONECT   35   12                                                      
CONECT   36   16                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
MASTER        0    0    0    0    0    0    0    0   40    0   40    0
END
