COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -6.950   0.335  -1.191  1.00  0.00           C  
HETATM    2  C   UNL     1      -8.176  -0.268  -1.023  1.00  0.00           C  
HETATM    3  C   UNL     1      -8.345  -0.898   0.146  1.00  0.00           C  
HETATM    4 CL   UNL     1      -9.785  -1.741   0.624  1.00  0.00          Cl  
HETATM    5  S   UNL     1      -6.892  -0.748   1.124  1.00  0.00           S  
HETATM    6  C   UNL     1      -6.101   0.191  -0.136  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.738   0.735  -0.061  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.855   0.610   0.983  1.00  0.00           C  
HETATM    9  O   UNL     1      -4.099   1.451  -1.005  1.00  0.00           O  
HETATM   10  N   UNL     1      -2.985   1.755  -0.649  1.00  0.00           N  
HETATM   11  C   UNL     1      -2.713   1.305   0.544  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.424   1.489   1.303  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.255   0.990   0.452  1.00  0.00           C  
HETATM   14  C   UNL     1       1.042   1.263   1.170  1.00  0.00           C  
HETATM   15  O   UNL     1       1.616   0.365   1.748  1.00  0.00           O  
HETATM   16  N   UNL     1       1.563   2.506   1.170  1.00  0.00           N  
HETATM   17  C   UNL     1       2.766   2.814   1.955  1.00  0.00           C  
HETATM   18  C   UNL     1       3.809   3.451   1.032  1.00  0.00           C  
HETATM   19  C   UNL     1       3.190   4.662   0.329  1.00  0.00           C  
HETATM   20  O   UNL     1       4.170   5.278  -0.509  1.00  0.00           O  
HETATM   21  C   UNL     1       3.994   6.687  -0.669  1.00  0.00           C  
HETATM   22  C   UNL     1       2.003   4.208  -0.523  1.00  0.00           C  
HETATM   23  C   UNL     1       0.943   3.578   0.379  1.00  0.00           C  
HETATM   24  N   UNL     1      -0.394  -0.451   0.228  1.00  0.00           N  
HETATM   25  S   UNL     1       0.031  -1.107  -1.231  1.00  0.00           S  
HETATM   26  O   UNL     1      -0.194  -2.506  -1.123  1.00  0.00           O  
HETATM   27  O   UNL     1      -0.577  -0.297  -2.228  1.00  0.00           O  
HETATM   28  C   UNL     1       1.771  -0.896  -1.411  1.00  0.00           C  
HETATM   29  C   UNL     1       2.637  -1.554  -0.560  1.00  0.00           C  
HETATM   30  C   UNL     1       2.095  -2.453   0.521  1.00  0.00           C  
HETATM   31  C   UNL     1       2.081  -3.899   0.023  1.00  0.00           C  
HETATM   32  C   UNL     1       2.268  -0.076  -2.407  1.00  0.00           C  
HETATM   33  C   UNL     1       3.633   0.092  -2.552  1.00  0.00           C  
HETATM   34  C   UNL     1       4.504  -0.559  -1.701  1.00  0.00           C  
HETATM   35  C   UNL     1       4.008  -1.388  -0.703  1.00  0.00           C  
HETATM   36  N   UNL     1       4.889  -2.053   0.158  1.00  0.00           N  
HETATM   37  C   UNL     1       5.189  -1.453   1.456  1.00  0.00           C  
HETATM   38  C   UNL     1       5.773  -2.509   2.396  1.00  0.00           C  
HETATM   39  O   UNL     1       6.822  -3.204   1.711  1.00  0.00           O  
HETATM   40  C   UNL     1       6.344  -4.017   0.636  1.00  0.00           C  
HETATM   41  C   UNL     1       5.419  -3.217  -0.237  1.00  0.00           C  
HETATM   42  O   UNL     1       5.146  -3.639  -1.341  1.00  0.00           O  
HETATM   43  H   UNL     1      -6.681   0.873  -2.088  1.00  0.00           H  
HETATM   44  H   UNL     1      -8.947  -0.233  -1.779  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.003   0.099   1.923  1.00  0.00           H  
HETATM   46  H   UNL     1      -1.283   2.546   1.529  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.466   0.922   2.233  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.256   1.508  -0.507  1.00  0.00           H  
HETATM   49  H   UNL     1      -0.736  -1.021   0.935  1.00  0.00           H  
HETATM   50  H   UNL     1       2.512   3.510   2.755  1.00  0.00           H  
HETATM   51  H   UNL     1       3.168   1.895   2.382  1.00  0.00           H  
HETATM   52  H   UNL     1       0.143   3.163  -0.235  1.00  0.00           H  
HETATM   53  H   UNL     1       0.537   4.337   1.047  1.00  0.00           H  
HETATM   54  H   UNL     1       4.668   3.772   1.620  1.00  0.00           H  
HETATM   55  H   UNL     1       4.128   2.722   0.287  1.00  0.00           H  
HETATM   56  H   UNL     1       2.848   5.379   1.076  1.00  0.00           H  
HETATM   57  H   UNL     1       1.577   5.067  -1.041  1.00  0.00           H  
HETATM   58  H   UNL     1       2.340   3.472  -1.253  1.00  0.00           H  
HETATM   59  H   UNL     1       4.777   7.079  -1.319  1.00  0.00           H  
HETATM   60  H   UNL     1       3.020   6.883  -1.116  1.00  0.00           H  
HETATM   61  H   UNL     1       4.052   7.174   0.304  1.00  0.00           H  
HETATM   62  H   UNL     1       1.588   0.434  -3.074  1.00  0.00           H  
HETATM   63  H   UNL     1       2.728  -2.380   1.406  1.00  0.00           H  
HETATM   64  H   UNL     1       1.080  -2.145   0.774  1.00  0.00           H  
HETATM   65  H   UNL     1       3.104  -4.242  -0.129  1.00  0.00           H  
HETATM   66  H   UNL     1       1.592  -4.534   0.763  1.00  0.00           H  
HETATM   67  H   UNL     1       1.536  -3.954  -0.919  1.00  0.00           H  
HETATM   68  H   UNL     1       4.018   0.732  -3.332  1.00  0.00           H  
HETATM   69  H   UNL     1       5.570  -0.428  -1.815  1.00  0.00           H  
HETATM   70  H   UNL     1       5.912  -0.647   1.324  1.00  0.00           H  
HETATM   71  H   UNL     1       4.274  -1.049   1.889  1.00  0.00           H  
HETATM   72  H   UNL     1       6.176  -2.025   3.286  1.00  0.00           H  
HETATM   73  H   UNL     1       4.993  -3.215   2.682  1.00  0.00           H  
HETATM   74  H   UNL     1       7.189  -4.370   0.045  1.00  0.00           H  
HETATM   75  H   UNL     1       5.805  -4.873   1.042  1.00  0.00           H  
CONECT    1    2    6    6   43                                       
CONECT    2    1    3    3   44                                       
CONECT    3    2    2    4    5                                       
CONECT    4    3                                                      
CONECT    5    3    6                                                 
CONECT    6    1    1    5    7                                       
CONECT    7    6    8    8    9                                       
CONECT    8    7    7   11   45                                       
CONECT    9    7   10                                                 
CONECT   10    9   11   11                                            
CONECT   11    8   10   10   12                                       
CONECT   12   11   13   46   47                                       
CONECT   13   12   14   24   48                                       
CONECT   14   13   15   15   16                                       
CONECT   15   14   14                                                 
CONECT   16   14   17   23                                            
CONECT   17   16   18   50   51                                       
CONECT   18   17   19   54   55                                       
CONECT   19   18   20   22   56                                       
CONECT   20   19   21                                                 
CONECT   21   20   59   60   61                                       
CONECT   22   19   23   57   58                                       
CONECT   23   16   22   52   53                                       
CONECT   24   13   25   49                                            
CONECT   25   24   26   26   27                                       
CONECT   25   27   28                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   29   32   32                                       
CONECT   29   28   30   35   35                                       
CONECT   30   29   31   63   64                                       
CONECT   31   30   65   66   67                                       
CONECT   32   28   28   33   62                                       
CONECT   33   32   34   34   68                                       
CONECT   34   33   33   35   69                                       
CONECT   35   29   29   34   36                                       
CONECT   36   35   37   41                                            
CONECT   37   36   38   70   71                                       
CONECT   38   37   39   72   73                                       
CONECT   39   38   40                                                 
CONECT   40   39   41   74   75                                       
CONECT   41   36   40   42   42                                       
CONECT   42   41   41                                                 
CONECT   43    1                                                      
CONECT   44    2                                                      
CONECT   45    8                                                      
CONECT   46   12                                                      
CONECT   47   12                                                      
CONECT   48   13                                                      
CONECT   49   24                                                      
CONECT   50   17                                                      
CONECT   51   17                                                      
CONECT   52   23                                                      
CONECT   53   23                                                      
CONECT   54   18                                                      
CONECT   55   18                                                      
CONECT   56   19                                                      
CONECT   57   22                                                      
CONECT   58   22                                                      
CONECT   59   21                                                      
CONECT   60   21                                                      
CONECT   61   21                                                      
CONECT   62   32                                                      
CONECT   63   30                                                      
CONECT   64   30                                                      
CONECT   65   31                                                      
CONECT   66   31                                                      
CONECT   67   31                                                      
CONECT   68   33                                                      
CONECT   69   34                                                      
CONECT   70   37                                                      
CONECT   71   37                                                      
CONECT   72   38                                                      
CONECT   73   38                                                      
CONECT   74   40                                                      
CONECT   75   40                                                      
MASTER        0    0    0    0    0    0    0    0   75    0   75    0
END
