COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1 CL   UNL     1      -6.636  -1.241  -0.065  1.00  0.00          Cl  
HETATM    2  C   UNL     1      -4.982  -0.720  -0.123  1.00  0.00           C  
HETATM    3  C   UNL     1      -4.025  -1.529  -0.713  1.00  0.00           C  
HETATM    4  C   UNL     1      -2.706  -1.123  -0.764  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.626   0.506   0.418  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.314   0.920   0.372  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.345   0.105  -0.218  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.893   2.245   0.950  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.482   2.128   1.523  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.973   3.523   1.893  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.522   1.258   2.781  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.568   1.528   0.556  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.944   0.580  -0.251  1.00  0.00           C  
HETATM   14  N   UNL     1      -0.044   0.025  -1.135  1.00  0.00           N  
HETATM   15  CA  UNL     1       1.307   0.579  -1.249  1.00  0.00           C  
HETATM   16  C   UNL     1       1.304   1.713  -2.242  1.00  0.00           C  
HETATM   17  OXT UNL     1       2.441   2.375  -2.509  1.00  0.00           O  
HETATM   18  O   UNL     1       0.278   2.026  -2.797  1.00  0.00           O  
HETATM   19  C   UNL     1       2.267  -0.513  -1.726  1.00  0.00           C  
HETATM   20  C   UNL     1       2.357  -1.594  -0.680  1.00  0.00           C  
HETATM   21  C   UNL     1       1.637  -2.713  -0.742  1.00  0.00           C  
HETATM   22  S   UNL     1       2.002  -3.736   0.640  1.00  0.00           S  
HETATM   23  C   UNL     1       3.152  -2.556   1.255  1.00  0.00           C  
HETATM   24  C   UNL     1       3.204  -1.503   0.422  1.00  0.00           C  
HETATM   25  C   UNL     1       4.090  -0.333   0.659  1.00  0.00           C  
HETATM   26  C   UNL     1       4.119   0.440   1.782  1.00  0.00           C  
HETATM   27  N   UNL     1       5.058   1.392   1.598  1.00  0.00           N  
HETATM   28  N   UNL     1       5.626   1.206   0.332  1.00  0.00           N  
HETATM   29  C   UNL     1       5.055   0.174  -0.231  1.00  0.00           C  
HETATM   30  H   UNL     1      -4.312  -2.481  -1.136  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.960  -1.754  -1.224  1.00  0.00           H  
HETATM   32  H   UNL     1      -5.376   1.135   0.873  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.905   3.003   0.167  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.584   2.532   1.743  1.00  0.00           H  
HETATM   35  H   UNL     1      -1.635   3.965   2.638  1.00  0.00           H  
HETATM   36  H   UNL     1       0.034   3.445   2.303  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.956   4.152   1.003  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.897   0.267   2.526  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.517   1.171   3.194  1.00  0.00           H  
HETATM   40  H   UNL     1      -2.180   1.717   3.519  1.00  0.00           H  
HETATM   41  H   UNL     1      -0.306  -0.732  -1.683  1.00  0.00           H  
HETATM   42  HA  UNL     1       1.632   0.948  -0.276  1.00  0.00           H  
HETATM   43  HXT UNL     1       2.389   3.094  -3.152  1.00  0.00           H  
HETATM   44  H   UNL     1       1.898  -0.939  -2.659  1.00  0.00           H  
HETATM   45  H   UNL     1       3.255  -0.082  -1.889  1.00  0.00           H  
HETATM   46  H   UNL     1       0.934  -2.955  -1.525  1.00  0.00           H  
HETATM   47  H   UNL     1       3.730  -2.663   2.160  1.00  0.00           H  
HETATM   48  H   UNL     1       3.501   0.315   2.659  1.00  0.00           H  
HETATM   49  H   UNL     1       5.298   2.085   2.233  1.00  0.00           H  
HETATM   50  H   UNL     1       5.280  -0.219  -1.212  1.00  0.00           H  
CONECT    1    2                                                      
CONECT    2    1    3    3    5                                       
CONECT    3    2    2    4   30                                       
CONECT    4    3    7    7   31                                       
CONECT    5    2    6    6   32                                       
CONECT    6    5    5    7    8                                       
CONECT    7    4    4    6   13                                       
CONECT    8    6    9   33   34                                       
CONECT    9    8   12   11   10                                       
CONECT   10    9   35   36   37                                       
CONECT   11    9   38   39   40                                       
CONECT   12   13   13    9                                            
CONECT   13    7   14   12   12                                       
CONECT   14   13   15   41                                            
CONECT   15   16   14   19   42                                       
CONECT   16   18   18   17   15                                       
CONECT   17   16   43                                                 
CONECT   18   16   16                                                 
CONECT   19   15   20   44   45                                       
CONECT   20   19   24   21   21                                       
CONECT   21   20   20   22   46                                       
CONECT   22   21   23                                                 
CONECT   23   24   24   22   47                                       
CONECT   24   25   20   23   23                                       
CONECT   25   29   26   26   24                                       
CONECT   26   27   25   25   48                                       
CONECT   27   28   26   49                                            
CONECT   28   27   29   29                                            
CONECT   29   28   28   25   50                                       
CONECT   30    3                                                      
CONECT   31    4                                                      
CONECT   32    5                                                      
CONECT   33    8                                                      
CONECT   34    8                                                      
CONECT   35   10                                                      
CONECT   36   10                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   11                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   17                                                      
CONECT   44   19                                                      
CONECT   45   19                                                      
CONECT   46   21                                                      
CONECT   47   23                                                      
CONECT   48   26                                                      
CONECT   49   27                                                      
CONECT   50   29                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
