COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1       1.660   3.059  -0.133  1.00  0.00           N  
HETATM    2  C   UNL     1       0.793   2.095  -0.018  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.473   2.641  -0.004  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.358   3.979  -0.113  1.00  0.00           C  
HETATM    5  N   UNL     1       0.957   4.270  -0.196  1.00  0.00           N  
HETATM    6  O   UNL     1      -1.275   4.781  -0.135  1.00  0.00           O  
HETATM    7  C   UNL     1      -1.675   1.925   0.106  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.462   2.059   1.242  1.00  0.00           C  
HETATM    9  C   UNL     1      -3.645   1.355   1.349  1.00  0.00           C  
HETATM   10  C   UNL     1      -4.048   0.514   0.321  1.00  0.00           C  
HETATM   11  C   UNL     1      -3.262   0.380  -0.814  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.081   1.088  -0.924  1.00  0.00           C  
HETATM   13  O   UNL     1      -5.213  -0.178   0.427  1.00  0.00           O  
HETATM   14  C   UNL     1      -5.566  -1.026  -0.669  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.877  -1.707  -0.375  1.00  0.00           C  
HETATM   16  C   UNL     1      -8.066  -1.111  -0.753  1.00  0.00           C  
HETATM   17  C   UNL     1      -9.269  -1.735  -0.483  1.00  0.00           C  
HETATM   18  C   UNL     1      -9.284  -2.957   0.164  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.095  -3.553   0.542  1.00  0.00           C  
HETATM   20  C   UNL     1      -6.892  -2.930   0.269  1.00  0.00           C  
HETATM   21  S   UNL     1       1.173   0.379   0.098  1.00  0.00           S  
HETATM   22  C   UNL     1       2.980   0.451   0.012  1.00  0.00           C  
HETATM   23  C   UNL     1       3.543  -0.945   0.095  1.00  0.00           C  
HETATM   24  O   UNL     1       2.796  -1.894   0.202  1.00  0.00           O  
HETATM   25  C   UNL     1       4.998  -1.155   0.046  1.00  0.00           C  
HETATM   26  C   UNL     1       5.524  -2.449   0.123  1.00  0.00           C  
HETATM   27  C   UNL     1       6.889  -2.638   0.076  1.00  0.00           C  
HETATM   28  C   UNL     1       7.738  -1.550  -0.047  1.00  0.00           C  
HETATM   29  C   UNL     1       7.224  -0.266  -0.123  1.00  0.00           C  
HETATM   30  C   UNL     1       5.862  -0.062  -0.084  1.00  0.00           C  
HETATM   31 CL   UNL     1       9.456  -1.798  -0.105  1.00  0.00          Cl  
HETATM   32  H   UNL     1       1.344   5.155  -0.282  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.148   2.713   2.042  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.257   1.459   2.233  1.00  0.00           H  
HETATM   35  H   UNL     1      -3.575  -0.275  -1.614  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.472   0.987  -1.810  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.662  -0.427  -1.574  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.790  -1.778  -0.811  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.054  -0.157  -1.259  1.00  0.00           H  
HETATM   40  H   UNL     1     -10.198  -1.270  -0.778  1.00  0.00           H  
HETATM   41  H   UNL     1     -10.224  -3.444   0.376  1.00  0.00           H  
HETATM   42  H   UNL     1      -8.107  -4.507   1.048  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.963  -3.398   0.560  1.00  0.00           H  
HETATM   44  H   UNL     1       3.280   0.908  -0.931  1.00  0.00           H  
HETATM   45  H   UNL     1       3.360   1.046   0.842  1.00  0.00           H  
HETATM   46  H   UNL     1       4.863  -3.297   0.220  1.00  0.00           H  
HETATM   47  H   UNL     1       7.296  -3.636   0.135  1.00  0.00           H  
HETATM   48  H   UNL     1       7.893   0.577  -0.218  1.00  0.00           H  
HETATM   49  H   UNL     1       5.462   0.939  -0.148  1.00  0.00           H  
CONECT    1    2    2    5                                            
CONECT    2    1    1    3   21                                       
CONECT    3    2    4    7                                            
CONECT    4    3    5    6    6                                       
CONECT    5    1    4   32                                            
CONECT    6    4    4                                                 
CONECT    7    3    8    8   12                                       
CONECT    8    7    7    9   33                                       
CONECT    9    8   10   10   34                                       
CONECT   10    9    9   11   13                                       
CONECT   11   10   12   12   35                                       
CONECT   12    7   11   11   36                                       
CONECT   13   10   14                                                 
CONECT   14   13   15   37   38                                       
CONECT   15   14   16   16   20                                       
CONECT   16   15   15   17   39                                       
CONECT   17   16   18   18   40                                       
CONECT   18   17   17   19   41                                       
CONECT   19   18   20   20   42                                       
CONECT   20   15   19   19   43                                       
CONECT   21    2   22                                                 
CONECT   22   21   23   44   45                                       
CONECT   23   22   24   24   25                                       
CONECT   24   23   23                                                 
CONECT   25   23   26   26   30                                       
CONECT   26   25   25   27   46                                       
CONECT   27   26   28   28   47                                       
CONECT   28   27   27   29   31                                       
CONECT   29   28   30   30   48                                       
CONECT   30   25   29   29   49                                       
CONECT   31   28                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34    9                                                      
CONECT   35   11                                                      
CONECT   36   12                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   16                                                      
CONECT   40   17                                                      
CONECT   41   18                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   29                                                      
CONECT   49   30                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
