COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       7.360  -5.292   0.785  1.00  0.00           O  
HETATM    2  C   UNL     1       6.179  -4.915   1.314  1.00  0.00           C  
HETATM    3  C   UNL     1       5.599  -3.604   0.965  1.00  0.00           C  
HETATM    4  N   UNL     1       6.124  -2.709   0.149  1.00  0.00           N  
HETATM    5  N   UNL     1       5.363  -1.677   0.066  1.00  0.00           N  
HETATM    6  C   UNL     1       5.627  -0.545  -0.715  1.00  0.00           C  
HETATM    7  C   UNL     1       5.452   0.724  -0.181  1.00  0.00           C  
HETATM    8  C   UNL     1       5.713   1.840  -0.954  1.00  0.00           C  
HETATM    9 CL   UNL     1       5.495   3.428  -0.288  1.00  0.00          Cl  
HETATM   10  C   UNL     1       6.150   1.692  -2.260  1.00  0.00           C  
HETATM   11 CL   UNL     1       6.478   3.094  -3.229  1.00  0.00          Cl  
HETATM   12  C   UNL     1       6.326   0.427  -2.794  1.00  0.00           C  
HETATM   13  C   UNL     1       6.070  -0.691  -2.024  1.00  0.00           C  
HETATM   14  C   UNL     1       4.259  -1.848   0.852  1.00  0.00           C  
HETATM   15  C   UNL     1       3.146  -0.889   1.029  1.00  0.00           C  
HETATM   16  C   UNL     1       2.841   0.024   0.020  1.00  0.00           C  
HETATM   17  C   UNL     1       1.801   0.916   0.191  1.00  0.00           C  
HETATM   18  C   UNL     1       1.063   0.905   1.361  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.071   1.882   1.541  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.312   1.287   1.040  1.00  0.00           N  
HETATM   21  C   UNL     1      -2.465   1.983   1.099  1.00  0.00           C  
HETATM   22  C   UNL     1      -3.732   1.344   0.699  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.724   0.068   0.130  1.00  0.00           C  
HETATM   24  C   UNL     1      -4.896  -0.525  -0.242  1.00  0.00           C  
HETATM   25  C   UNL     1      -6.111   0.140  -0.053  1.00  0.00           C  
HETATM   26  C   UNL     1      -7.376  -0.504  -0.456  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.623   0.038  -0.325  1.00  0.00           C  
HETATM   28  C   UNL     1      -9.533  -0.899  -0.826  1.00  0.00           C  
HETATM   29  C   UNL     1      -8.795  -1.985  -1.245  1.00  0.00           C  
HETATM   30  C   UNL     1      -9.331  -3.209  -1.845  1.00  0.00           C  
HETATM   31  O   UNL     1      -8.495  -4.197  -2.223  1.00  0.00           O  
HETATM   32  O   UNL     1     -10.531  -3.334  -2.003  1.00  0.00           O  
HETATM   33  O   UNL     1      -7.492  -1.720  -1.016  1.00  0.00           O  
HETATM   34  C   UNL     1      -6.128   1.417   0.516  1.00  0.00           C  
HETATM   35  C   UNL     1      -4.946   2.014   0.896  1.00  0.00           C  
HETATM   36 CL   UNL     1      -4.960   3.599   1.604  1.00  0.00          Cl  
HETATM   37  S   UNL     1      -2.457   3.608   1.637  1.00  0.00           S  
HETATM   38  C   UNL     1       1.360   0.002   2.365  1.00  0.00           C  
HETATM   39  C   UNL     1       2.393  -0.899   2.204  1.00  0.00           C  
HETATM   40  C   UNL     1       4.377  -3.077   1.438  1.00  0.00           C  
HETATM   41  O   UNL     1       5.591  -5.655   2.078  1.00  0.00           O  
HETATM   42  H   UNL     1       7.699  -6.159   1.043  1.00  0.00           H  
HETATM   43  H   UNL     1       5.111   0.840   0.837  1.00  0.00           H  
HETATM   44  H   UNL     1       6.666   0.314  -3.812  1.00  0.00           H  
HETATM   45  H   UNL     1       6.212  -1.677  -2.440  1.00  0.00           H  
HETATM   46  H   UNL     1       3.417   0.034  -0.894  1.00  0.00           H  
HETATM   47  H   UNL     1       1.564   1.624  -0.589  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.183   2.117   2.600  1.00  0.00           H  
HETATM   49  H   UNL     1       0.145   2.795   0.987  1.00  0.00           H  
HETATM   50  H   UNL     1      -1.304   0.392   0.665  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.787  -0.450  -0.018  1.00  0.00           H  
HETATM   52  H   UNL     1      -4.885  -1.512  -0.682  1.00  0.00           H  
HETATM   53  H   UNL     1      -8.861   1.007   0.086  1.00  0.00           H  
HETATM   54  H   UNL     1     -10.606  -0.792  -0.874  1.00  0.00           H  
HETATM   55  H   UNL     1      -8.940  -4.964  -2.608  1.00  0.00           H  
HETATM   56  H   UNL     1      -7.066   1.931   0.666  1.00  0.00           H  
HETATM   57  H   UNL     1       0.780  -0.001   3.276  1.00  0.00           H  
HETATM   58  H   UNL     1       2.625  -1.604   2.989  1.00  0.00           H  
HETATM   59  H   UNL     1       3.683  -3.545   2.120  1.00  0.00           H  
CONECT    1    2   42                                                 
CONECT    2   41   41    1    3                                       
CONECT    3    2   40    4    4                                       
CONECT    4    3    3    5                                            
CONECT    5    4   14    6                                            
CONECT    6    5    7    7   13                                       
CONECT    7    6    6    8   43                                       
CONECT    8    7    9   10   10                                       
CONECT    9    8                                                      
CONECT   10    8    8   12   11                                       
CONECT   11   10                                                      
CONECT   12   13   13   10   44                                       
CONECT   13    6   12   12   45                                       
CONECT   14   40   40    5   15                                       
CONECT   15   39   14   16   16                                       
CONECT   16   15   15   17   46                                       
CONECT   17   18   18   16   47                                       
CONECT   18   38   19   17   17                                       
CONECT   19   18   20   48   49                                       
CONECT   20   19   21   50                                            
CONECT   21   20   22   37   37                                       
CONECT   22   35   21   23   23                                       
CONECT   23   22   22   24   51                                       
CONECT   24   25   25   23   52                                       
CONECT   25   34   26   24   24                                       
CONECT   26   33   25   27   27                                       
CONECT   27   28   26   26   53                                       
CONECT   28   29   29   27   54                                       
CONECT   29   30   33   28   28                                       
CONECT   30   32   32   31   29                                       
CONECT   31   30   55                                                 
CONECT   32   30   30                                                 
CONECT   33   29   26                                                 
CONECT   34   35   35   25   56                                       
CONECT   35   36   34   34   22                                       
CONECT   36   35                                                      
CONECT   37   21   21                                                 
CONECT   38   39   39   18   57                                       
CONECT   39   38   38   15   58                                       
CONECT   40    3   14   14   59                                       
CONECT   41    2    2                                                 
CONECT   42    1                                                      
CONECT   43    7                                                      
CONECT   44   12                                                      
CONECT   45   13                                                      
CONECT   46   16                                                      
CONECT   47   17                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   24                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   31                                                      
CONECT   56   34                                                      
CONECT   57   38                                                      
CONECT   58   39                                                      
CONECT   59   40                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
