COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       6.432   0.234   0.663  1.00  0.00           O  
HETATM    2  C   UNL     1       6.803   1.199   0.027  1.00  0.00           C  
HETATM    3  C   UNL     1       8.274   1.419  -0.217  1.00  0.00           C  
HETATM    4  N   UNL     1       5.900   2.070  -0.464  1.00  0.00           N  
HETATM    5  C   UNL     1       4.533   1.806  -0.336  1.00  0.00           C  
HETATM    6  C   UNL     1       3.637   2.857  -0.170  1.00  0.00           C  
HETATM    7  C   UNL     1       2.289   2.602  -0.044  1.00  0.00           C  
HETATM    8  C   UNL     1       1.823   1.284  -0.082  1.00  0.00           C  
HETATM    9  C   UNL     1       0.422   1.015   0.049  1.00  0.00           C  
HETATM   10  C   UNL     1       2.727   0.231  -0.248  1.00  0.00           C  
HETATM   11  S   UNL     1       2.145  -1.432  -0.297  1.00  0.00           S  
HETATM   12  O   UNL     1       1.666  -1.700  -1.717  1.00  0.00           O  
HETATM   13  O   UNL     1       3.282  -2.260  -0.094  1.00  0.00           O  
HETATM   14  O   UNL     1       0.992  -1.478   0.531  1.00  0.00           O  
HETATM   15  C   UNL     1       4.072   0.495  -0.380  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.726   0.793   0.156  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.126   0.524   0.287  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.031   1.577   0.447  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.378   1.314   0.567  1.00  0.00           C  
HETATM   20  C   UNL     1      -4.837   0.002   0.529  1.00  0.00           C  
HETATM   21  N   UNL     1      -6.205  -0.261   0.650  1.00  0.00           N  
HETATM   22  C   UNL     1      -7.105   0.609   0.150  1.00  0.00           C  
HETATM   23  O   UNL     1      -6.731   1.570  -0.487  1.00  0.00           O  
HETATM   24  C   UNL     1      -8.578   0.386   0.382  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.941  -1.048   0.370  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.592  -0.794   0.249  1.00  0.00           C  
HETATM   27  S   UNL     1      -1.458  -2.126   0.041  1.00  0.00           S  
HETATM   28  O   UNL     1      -0.943  -2.420   1.332  1.00  0.00           O  
HETATM   29  O   UNL     1      -2.266  -3.342  -0.388  1.00  0.00           O  
HETATM   30  O   UNL     1      -0.634  -1.782  -1.065  1.00  0.00           O  
HETATM   31  H   UNL     1       8.466   1.426  -1.290  1.00  0.00           H  
HETATM   32  H   UNL     1       8.574   2.375   0.212  1.00  0.00           H  
HETATM   33  H   UNL     1       6.198   2.879  -0.907  1.00  0.00           H  
HETATM   34  H   UNL     1       3.998   3.874  -0.141  1.00  0.00           H  
HETATM   35  H   UNL     1       1.594   3.418   0.085  1.00  0.00           H  
HETATM   36  H   UNL     1       4.772  -0.318  -0.509  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.674   2.596   0.478  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.077   2.127   0.692  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.506  -1.069   1.095  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.872  -0.573  -0.045  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.780   0.384   1.453  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.302  -2.066   0.340  1.00  0.00           H  
HETATM   43 CL   UNL     1      -9.517   1.708  -0.405  1.00  0.00          Cl  
HETATM   44 CL   UNL     1       9.217   0.090   0.554  1.00  0.00          Cl  
HETATM   45  H   UNL     1       1.323  -2.593  -1.854  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.734  -4.137  -0.531  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    4    1    1    3                                       
CONECT    3    2   31   32   44                                       
CONECT    4    5    2   33                                            
CONECT    5   15   15    6    4                                       
CONECT    6    7    7    5   34                                       
CONECT    7    8    6    6   35                                       
CONECT    8    9   10   10    7                                       
CONECT    9   16   16   16    8                                       
CONECT   10   11    8    8   15                                       
CONECT   11   13   13   14   14                                       
CONECT   11   12   10                                                 
CONECT   12   11   45                                                 
CONECT   13   11   11                                                 
CONECT   14   11   11                                                 
CONECT   15   10    5    5   36                                       
CONECT   16   17    9    9    9                                       
CONECT   17   18   18   26   16                                       
CONECT   18   19   17   17   37                                       
CONECT   19   20   20   18   38                                       
CONECT   20   21   19   19   25                                       
CONECT   21   22   20   39                                            
CONECT   22   24   23   23   21                                       
CONECT   23   22   22                                                 
CONECT   24   22   40   41   43                                       
CONECT   25   20   26   26   42                                       
CONECT   26   25   25   17   27                                       
CONECT   27   26   28   28   30                                       
CONECT   27   30   29                                                 
CONECT   28   27   27                                                 
CONECT   29   27   46                                                 
CONECT   30   27   27                                                 
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36   15                                                      
CONECT   37   18                                                      
CONECT   38   19                                                      
CONECT   39   21                                                      
CONECT   40   24                                                      
CONECT   41   24                                                      
CONECT   42   25                                                      
CONECT   43   24                                                      
CONECT   44    3                                                      
CONECT   45   12                                                      
CONECT   46   29                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
