COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.397   0.325  -0.003  1.00  0.00           C  
HETATM    2  C   UNL     1       5.563   2.763   0.002  1.00  0.00           C  
HETATM    3  C   UNL     1      -0.044   0.089  -0.003  1.00  0.00           C  
HETATM    4  C   UNL     1       2.214   0.105  -0.008  1.00  0.00           C  
HETATM    5  C   UNL     1       4.519  -2.192  -1.200  1.00  0.00           C  
HETATM    6  C   UNL     1       3.541  -0.400  -0.008  1.00  0.00           C  
HETATM    7  C   UNL     1       4.441  -2.209   1.218  1.00  0.00           C  
HETATM    8  C   UNL     1       4.605  -3.731   1.200  1.00  0.00           C  
HETATM    9  C   UNL     1       4.683  -3.714  -1.194  1.00  0.00           C  
HETATM   10  C   UNL     1       4.613   0.458  -0.005  1.00  0.00           C  
HETATM   11  C   UNL     1       4.410   1.846  -0.002  1.00  0.00           C  
HETATM   12  N   UNL     1      -4.033  -1.612  -0.008  1.00  0.00           N  
HETATM   13  N   UNL     1      -1.309  -0.470  -0.003  1.00  0.00           N  
HETATM   14  C   UNL     1      -3.737  -0.266  -0.003  1.00  0.00           C  
HETATM   15  N   UNL     1       1.057  -0.581  -0.008  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.120  -3.073  -0.020  1.00  0.00           C  
HETATM   17  C   UNL     1      -5.382  -1.760  -0.010  1.00  0.00           C  
HETATM   18  O   UNL     1      -2.266   1.535   0.001  1.00  0.00           O  
HETATM   19  N   UNL     1       3.758  -1.781  -0.011  1.00  0.00           N  
HETATM   20  O   UNL     1       5.320  -4.115   0.022  1.00  0.00           O  
HETATM   21  O   UNL     1       5.365   4.096   0.006  1.00  0.00           O  
HETATM   22  O   UNL     1       6.694   2.317   0.002  1.00  0.00           O  
HETATM   23  C   UNL     1       3.113   2.354  -0.001  1.00  0.00           C  
HETATM   24  C   UNL     1       2.024   1.491  -0.004  1.00  0.00           C  
HETATM   25  S   UNL     1       0.291   1.815  -0.005  1.00  0.00           S  
HETATM   26  C   UNL     1      -4.934   0.422   0.003  1.00  0.00           C  
HETATM   27 CL   UNL     1      -5.132   2.147   0.014  1.00  0.00          Cl  
HETATM   28  C   UNL     1      -5.957  -0.533  -0.002  1.00  0.00           C  
HETATM   29 CL   UNL     1      -7.662  -0.204   0.002  1.00  0.00          Cl  
HETATM   30  H   UNL     1       5.502  -1.720  -1.184  1.00  0.00           H  
HETATM   31  H   UNL     1       3.984  -1.886  -2.099  1.00  0.00           H  
HETATM   32  H   UNL     1       3.848  -1.917   2.085  1.00  0.00           H  
HETATM   33  H   UNL     1       5.422  -1.737   1.273  1.00  0.00           H  
HETATM   34  H   UNL     1       5.161  -4.048   2.083  1.00  0.00           H  
HETATM   35  H   UNL     1       3.622  -4.203   1.201  1.00  0.00           H  
HETATM   36  H   UNL     1       3.702  -4.185  -1.264  1.00  0.00           H  
HETATM   37  H   UNL     1       5.294  -4.018  -2.043  1.00  0.00           H  
HETATM   38  H   UNL     1       5.618   0.063  -0.005  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.385  -2.334  -0.013  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.413  -1.434  -0.002  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.299  -3.397   1.005  1.00  0.00           H  
HETATM   42  H   UNL     1      -7.073  -2.951  -0.534  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.521  -3.823  -0.538  1.00  0.00           H  
HETATM   44  H   UNL     1       6.152   4.657   0.008  1.00  0.00           H  
HETATM   45  H   UNL     1       2.953   3.422   0.002  1.00  0.00           H  
CONECT    1   13   14   18   18                                       
CONECT    2   22   22   11   21                                       
CONECT    3   15   15   13   25                                       
CONECT    4    6   15   24   24                                       
CONECT    5    9   19   30   31                                       
CONECT    6   19   10   10    4                                       
CONECT    7    8   19   32   33                                       
CONECT    8   20    7   34   35                                       
CONECT    9   20    5   36   37                                       
CONECT   10    6    6   11   38                                       
CONECT   11   10    2   23   23                                       
CONECT   12   14   17   39                                            
CONECT   13    3    1   40                                            
CONECT   14   26   26    1   12                                       
CONECT   15    4    3    3                                            
CONECT   16   17   41   42   43                                       
CONECT   17   28   28   12   16                                       
CONECT   18    1    1                                                 
CONECT   19    5    7    6                                            
CONECT   20    9    8                                                 
CONECT   21    2   44                                                 
CONECT   22    2    2                                                 
CONECT   23   11   11   24   45                                       
CONECT   24    4    4   23   25                                       
CONECT   25    3   24                                                 
CONECT   26   27   28   14   14                                       
CONECT   27   26                                                      
CONECT   28   29   26   17   17                                       
CONECT   29   28                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    7                                                      
CONECT   33    7                                                      
CONECT   34    8                                                      
CONECT   35    8                                                      
CONECT   36    9                                                      
CONECT   37    9                                                      
CONECT   38   10                                                      
CONECT   39   12                                                      
CONECT   40   13                                                      
CONECT   41   16                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   21                                                      
CONECT   45   23                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
