COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.662   2.440   0.314  1.00  0.00           N  
HETATM    2  C   UNL     1       4.167  -0.023  -0.195  1.00  0.00           C  
HETATM    3  O   UNL     1       1.850   1.315   2.502  1.00  0.00           O  
HETATM    4  C   UNL     1      -6.046  -1.856   0.264  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.576  -2.045   1.550  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.364  -1.503   1.940  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.612  -0.763   1.032  1.00  0.00           C  
HETATM    8  C   UNL     1      -4.090  -0.571  -0.276  1.00  0.00           C  
HETATM    9  C   UNL     1      -5.311  -1.123  -0.651  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.316  -0.180   1.439  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.525   0.603   0.470  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.007   0.794  -0.842  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.297   0.215  -1.245  1.00  0.00           C  
HETATM   14  C   UNL     1      -0.305   1.153   0.847  1.00  0.00           C  
HETATM   15  C   UNL     1       0.440   1.891  -0.069  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.031   2.083  -1.365  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.252   1.538  -1.756  1.00  0.00           C  
HETATM   18  O   UNL     1      -3.711   0.381  -2.377  1.00  0.00           O  
HETATM   19  O   UNL     1      -1.902  -0.345   2.570  1.00  0.00           O  
HETATM   20  O   UNL     1      -1.709   1.727  -3.020  1.00  0.00           O  
HETATM   21  O   UNL     1       0.703   2.806  -2.252  1.00  0.00           O  
HETATM   22  S   UNL     1       2.645   1.621   1.365  1.00  0.00           S  
HETATM   23  C   UNL     1       3.048   0.080   0.610  1.00  0.00           C  
HETATM   24  O   UNL     1       3.857   2.359   1.440  1.00  0.00           O  
HETATM   25  C   UNL     1       2.244  -1.024   0.823  1.00  0.00           C  
HETATM   26  C   UNL     1       2.559  -2.233   0.230  1.00  0.00           C  
HETATM   27  C   UNL     1       3.679  -2.337  -0.575  1.00  0.00           C  
HETATM   28  C   UNL     1       4.479  -1.230  -0.792  1.00  0.00           C  
HETATM   29 CL   UNL     1       4.075  -3.855  -1.319  1.00  0.00          Cl  
HETATM   30  H   UNL     1       1.939   3.300  -0.039  1.00  0.00           H  
HETATM   31  H   UNL     1       4.794   0.840  -0.361  1.00  0.00           H  
HETATM   32  H   UNL     1      -6.991  -2.287  -0.031  1.00  0.00           H  
HETATM   33  H   UNL     1      -6.158  -2.619   2.256  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.002  -1.655   2.946  1.00  0.00           H  
HETATM   35  H   UNL     1      -5.684  -0.979  -1.654  1.00  0.00           H  
HETATM   36  H   UNL     1       0.066   1.008   1.851  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.253   2.519  -3.127  1.00  0.00           H  
HETATM   38  H   UNL     1       1.328   2.278  -2.767  1.00  0.00           H  
HETATM   39  H   UNL     1       1.370  -0.943   1.452  1.00  0.00           H  
HETATM   40  H   UNL     1       1.931  -3.095   0.397  1.00  0.00           H  
HETATM   41  H   UNL     1       5.354  -1.310  -1.421  1.00  0.00           H  
CONECT    1   15   22   30                                            
CONECT    2   28   28   23   31                                       
CONECT    3   22   22                                                 
CONECT    4    9    9    5   32                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    7   34                                       
CONECT    7    6    8    8   10                                       
CONECT    8    9    7    7   13                                       
CONECT    9    4    4    8   35                                       
CONECT   10    7   19   19   11                                       
CONECT   11   10   12   12   14                                       
CONECT   12   13   11   11   17                                       
CONECT   13    8   18   18   12                                       
CONECT   14   11   15   15   36                                       
CONECT   15   14   14   16    1                                       
CONECT   16   17   17   15   21                                       
CONECT   17   12   20   16   16                                       
CONECT   18   13   13                                                 
CONECT   19   10   10                                                 
CONECT   20   17   37                                                 
CONECT   21   16   38                                                 
CONECT   22   23    1    3    3                                       
CONECT   22   24   24                                                 
CONECT   23   25   25    2   22                                       
CONECT   24   22   22                                                 
CONECT   25   26   23   23   39                                       
CONECT   26   27   27   25   40                                       
CONECT   27   29   26   26   28                                       
CONECT   28   27    2    2   41                                       
CONECT   29   27                                                      
CONECT   30    1                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    9                                                      
CONECT   36   14                                                      
CONECT   37   20                                                      
CONECT   38   21                                                      
CONECT   39   25                                                      
CONECT   40   26                                                      
CONECT   41   28                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
