COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.610   0.219   0.710  1.00  0.00           N  
HETATM    2  C   UNL     1      -2.685  -0.856  -0.535  1.00  0.00           C  
HETATM    3  C   UNL     1      -3.854  -0.517  -1.192  1.00  0.00           C  
HETATM    4  C   UNL     1      -4.434   0.721  -0.991  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.837   1.618  -0.123  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.668   1.278   0.527  1.00  0.00           C  
HETATM    7  C   UNL     1       0.346   0.329   0.255  1.00  0.00           C  
HETATM    8  C   UNL     1       4.698   1.755  -1.609  1.00  0.00           C  
HETATM    9  C   UNL     1       6.347   0.362  -0.438  1.00  0.00           C  
HETATM   10  C   UNL     1       5.590  -1.097   1.309  1.00  0.00           C  
HETATM   11  O   UNL     1       0.127   0.891  -0.798  1.00  0.00           O  
HETATM   12  C   UNL     1      -0.796  -0.246   1.053  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.076   0.034   0.323  1.00  0.00           C  
HETATM   14 CL   UNL     1      -4.560   3.172   0.149  1.00  0.00          Cl  
HETATM   15  S   UNL     1      -1.988  -2.457  -0.809  1.00  0.00           S  
HETATM   16  O   UNL     1      -1.698  -2.546  -2.198  1.00  0.00           O  
HETATM   17  O   UNL     1      -2.812  -3.387  -0.120  1.00  0.00           O  
HETATM   18  N   UNL     1      -0.525  -2.427  -0.011  1.00  0.00           N  
HETATM   19  C   UNL     1      -0.527  -1.722   1.286  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.845   0.461   2.409  1.00  0.00           C  
HETATM   21  C   UNL     1      -2.050  -0.045   3.204  1.00  0.00           C  
HETATM   22  C   UNL     1       2.671   0.714  -0.051  1.00  0.00           C  
HETATM   23  C   UNL     1       3.990   0.259   0.168  1.00  0.00           C  
HETATM   24  C   UNL     1       4.298  -0.697   1.145  1.00  0.00           C  
HETATM   25  C   UNL     1       6.610  -0.569   0.520  1.00  0.00           C  
HETATM   26  C   UNL     1       5.027   0.798  -0.636  1.00  0.00           C  
HETATM   27  N   UNL     1       3.452   2.137  -1.764  1.00  0.00           N  
HETATM   28  C   UNL     1       2.457   1.658  -1.033  1.00  0.00           C  
HETATM   29  H   UNL     1       1.781  -0.200   1.568  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.316  -1.223  -1.867  1.00  0.00           H  
HETATM   31  H   UNL     1      -5.345   0.986  -1.506  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.208   1.985   1.202  1.00  0.00           H  
HETATM   33  H   UNL     1       5.473   2.181  -2.229  1.00  0.00           H  
HETATM   34  H   UNL     1       7.149   0.763  -1.041  1.00  0.00           H  
HETATM   35  H   UNL     1       5.827  -1.834   2.062  1.00  0.00           H  
HETATM   36  H   UNL     1       0.273  -2.843  -0.374  1.00  0.00           H  
HETATM   37  H   UNL     1       0.443  -1.844   1.769  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.307  -2.138   1.923  1.00  0.00           H  
HETATM   39  H   UNL     1       0.070   0.249   2.962  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.936   1.536   2.255  1.00  0.00           H  
HETATM   41  H   UNL     1      -2.145   0.530   4.125  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.955   0.072   2.607  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.909  -1.098   3.447  1.00  0.00           H  
HETATM   44  H   UNL     1       3.516  -1.114   1.763  1.00  0.00           H  
HETATM   45  H   UNL     1       7.626  -0.903   0.671  1.00  0.00           H  
HETATM   46  H   UNL     1       1.453   2.014  -1.211  1.00  0.00           H  
CONECT    1   22    7   29                                            
CONECT    2   13   15    3    3                                       
CONECT    3    2    2    4   30                                       
CONECT    4    5    5    3   31                                       
CONECT    5    6   14    4    4                                       
CONECT    6   13   13    5   32                                       
CONECT    7    1   12   11   11                                       
CONECT    8   26   26   27   33                                       
CONECT    9   25   25   26   34                                       
CONECT   10   25   24   24   35                                       
CONECT   11    7    7                                                 
CONECT   12   20    7   19   13                                       
CONECT   13   12    6    6    2                                       
CONECT   14    5                                                      
CONECT   15   18    2   17   17                                       
CONECT   15   16   16                                                 
CONECT   16   15   15                                                 
CONECT   17   15   15                                                 
CONECT   18   19   15   36                                            
CONECT   19   12   18   37   38                                       
CONECT   20   21   12   39   40                                       
CONECT   21   20   41   42   43                                       
CONECT   22   23   23   28    1                                       
CONECT   23   26   24   22   22                                       
CONECT   24   10   10   23   44                                       
CONECT   25    9    9   10   45                                       
CONECT   26    9    8    8   23                                       
CONECT   27    8   28   28                                            
CONECT   28   27   27   22   46                                       
CONECT   29    1                                                      
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    6                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   10                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   19                                                      
CONECT   39   20                                                      
CONECT   40   20                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   24                                                      
CONECT   45   25                                                      
CONECT   46   28                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
