COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      10.136  -1.275   0.768  1.00  0.00           C  
HETATM    2  O   UNL     1       8.944  -1.809   1.348  1.00  0.00           O  
HETATM    3  C   UNL     1       7.833  -1.027   1.305  1.00  0.00           C  
HETATM    4  C   UNL     1       6.641  -1.484   1.850  1.00  0.00           C  
HETATM    5  C   UNL     1       5.514  -0.687   1.805  1.00  0.00           C  
HETATM    6  C   UNL     1       7.891   0.230   0.723  1.00  0.00           C  
HETATM    7  C   UNL     1       6.760   1.023   0.681  1.00  0.00           C  
HETATM    8  C   UNL     1       5.572   0.564   1.219  1.00  0.00           C  
HETATM    9  S   UNL     1       4.132   1.578   1.164  1.00  0.00           S  
HETATM   10  O   UNL     1       3.287   1.132   2.216  1.00  0.00           O  
HETATM   11  O   UNL     1       4.589   2.918   1.049  1.00  0.00           O  
HETATM   12  N   UNL     1       3.341   1.230  -0.249  1.00  0.00           N  
HETATM   13  C   UNL     1       3.652   1.983  -1.467  1.00  0.00           C  
HETATM   14  C   UNL     1       4.727   1.242  -2.264  1.00  0.00           C  
HETATM   15  C   UNL     1       4.185  -0.119  -2.708  1.00  0.00           C  
HETATM   16  C   UNL     1       5.107   2.066  -3.497  1.00  0.00           C  
HETATM   17  C   UNL     1       6.267   1.386  -4.226  1.00  0.00           C  
HETATM   18  C   UNL     1       2.331   0.170  -0.282  1.00  0.00           C  
HETATM   19  C   UNL     1       0.945   0.779  -0.059  1.00  0.00           C  
HETATM   20  O   UNL     1       0.623   1.642  -1.151  1.00  0.00           O  
HETATM   21  C   UNL     1      -0.095  -0.340   0.031  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.183  -1.064  -1.313  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.115  -2.242  -1.190  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.464  -2.085  -1.448  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.319  -3.165  -1.334  1.00  0.00           C  
HETATM   26  C   UNL     1      -2.826  -4.401  -0.962  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.477  -4.558  -0.704  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.621  -3.480  -0.823  1.00  0.00           C  
HETATM   29  N   UNL     1      -1.401   0.234   0.363  1.00  0.00           N  
HETATM   30  C   UNL     1      -2.333  -0.522   0.977  1.00  0.00           C  
HETATM   31  O   UNL     1      -2.089  -1.679   1.256  1.00  0.00           O  
HETATM   32  O   UNL     1      -3.534   0.005   1.282  1.00  0.00           O  
HETATM   33  C   UNL     1      -4.488  -0.867   1.944  1.00  0.00           C  
HETATM   34  C   UNL     1      -5.784  -0.098   2.208  1.00  0.00           C  
HETATM   35  N   UNL     1      -6.407   0.262   0.932  1.00  0.00           N  
HETATM   36  C   UNL     1      -7.567   0.948   0.918  1.00  0.00           C  
HETATM   37  O   UNL     1      -8.094   1.268   1.962  1.00  0.00           O  
HETATM   38  C   UNL     1      -8.208   1.318  -0.395  1.00  0.00           C  
HETATM   39 CL   UNL     1      -8.443  -0.168  -1.389  1.00  0.00          Cl  
HETATM   40 CL   UNL     1      -9.806   2.094  -0.086  1.00  0.00          Cl  
HETATM   41  H   UNL     1       9.965  -1.067  -0.288  1.00  0.00           H  
HETATM   42  H   UNL     1      10.407  -0.352   1.281  1.00  0.00           H  
HETATM   43  H   UNL     1      10.945  -1.998   0.870  1.00  0.00           H  
HETATM   44  H   UNL     1       6.595  -2.461   2.307  1.00  0.00           H  
HETATM   45  H   UNL     1       4.585  -1.041   2.229  1.00  0.00           H  
HETATM   46  H   UNL     1       8.818   0.590   0.302  1.00  0.00           H  
HETATM   47  H   UNL     1       6.804   2.002   0.227  1.00  0.00           H  
HETATM   48  H   UNL     1       2.752   2.081  -2.073  1.00  0.00           H  
HETATM   49  H   UNL     1       4.019   2.974  -1.197  1.00  0.00           H  
HETATM   50  H   UNL     1       5.608   1.096  -1.639  1.00  0.00           H  
HETATM   51  H   UNL     1       3.237   0.020  -3.227  1.00  0.00           H  
HETATM   52  H   UNL     1       4.901  -0.594  -3.379  1.00  0.00           H  
HETATM   53  H   UNL     1       4.031  -0.751  -1.834  1.00  0.00           H  
HETATM   54  H   UNL     1       4.249   2.136  -4.165  1.00  0.00           H  
HETATM   55  H   UNL     1       5.409   3.066  -3.186  1.00  0.00           H  
HETATM   56  H   UNL     1       6.538   1.973  -5.104  1.00  0.00           H  
HETATM   57  H   UNL     1       7.125   1.315  -3.558  1.00  0.00           H  
HETATM   58  H   UNL     1       5.965   0.386  -4.537  1.00  0.00           H  
HETATM   59  H   UNL     1       2.358  -0.328  -1.251  1.00  0.00           H  
HETATM   60  H   UNL     1       2.540  -0.555   0.505  1.00  0.00           H  
HETATM   61  H   UNL     1       0.945   1.351   0.868  1.00  0.00           H  
HETATM   62  H   UNL     1       0.605   1.199  -2.011  1.00  0.00           H  
HETATM   63  H   UNL     1       0.199  -1.047   0.807  1.00  0.00           H  
HETATM   64  H   UNL     1      -0.561  -0.379  -2.072  1.00  0.00           H  
HETATM   65  H   UNL     1       0.808  -1.414  -1.603  1.00  0.00           H  
HETATM   66  H   UNL     1      -2.850  -1.119  -1.739  1.00  0.00           H  
HETATM   67  H   UNL     1      -4.373  -3.043  -1.536  1.00  0.00           H  
HETATM   68  H   UNL     1      -3.495  -5.244  -0.868  1.00  0.00           H  
HETATM   69  H   UNL     1      -1.092  -5.524  -0.413  1.00  0.00           H  
HETATM   70  H   UNL     1       0.433  -3.602  -0.622  1.00  0.00           H  
HETATM   71  H   UNL     1      -1.596   1.158   0.140  1.00  0.00           H  
HETATM   72  H   UNL     1      -4.698  -1.725   1.306  1.00  0.00           H  
HETATM   73  H   UNL     1      -4.070  -1.211   2.890  1.00  0.00           H  
HETATM   74  H   UNL     1      -6.467  -0.723   2.782  1.00  0.00           H  
HETATM   75  H   UNL     1      -5.560   0.808   2.771  1.00  0.00           H  
HETATM   76  H   UNL     1      -5.985   0.006   0.097  1.00  0.00           H  
HETATM   77  H   UNL     1      -7.563   2.015  -0.931  1.00  0.00           H  
CONECT    1    2   41   42   43                                       
CONECT    2    3    1                                                 
CONECT    3    6    6    4    2                                       
CONECT    4    5    5    3   44                                       
CONECT    5    8    4    4   45                                       
CONECT    6    7    3    3   46                                       
CONECT    7    8    8    6   47                                       
CONECT    8    9    7    7    5                                       
CONECT    9   10   10   11   11                                       
CONECT    9   12    8                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   18   13                                            
CONECT   13   12   14   48   49                                       
CONECT   14   16   13   15   50                                       
CONECT   15   14   51   52   53                                       
CONECT   16   17   14   54   55                                       
CONECT   17   16   56   57   58                                       
CONECT   18   12   19   59   60                                       
CONECT   19   21   18   20   61                                       
CONECT   20   19   62                                                 
CONECT   21   29   22   19   63                                       
CONECT   22   23   21   64   65                                       
CONECT   23   28   28   24   22                                       
CONECT   24   25   25   23   66                                       
CONECT   25   26   24   24   67                                       
CONECT   26   27   27   25   68                                       
CONECT   27   26   26   28   69                                       
CONECT   28   27   23   23   70                                       
CONECT   29   30   21   71                                            
CONECT   30   32   31   31   29                                       
CONECT   31   30   30                                                 
CONECT   32   33   30                                                 
CONECT   33   34   32   72   73                                       
CONECT   34   35   33   74   75                                       
CONECT   35   36   34   76                                            
CONECT   36   38   35   37   37                                       
CONECT   37   36   36                                                 
CONECT   38   39   36   40   77                                       
CONECT   39   38                                                      
CONECT   40   38                                                      
CONECT   41    1                                                      
CONECT   42    1                                                      
CONECT   43    1                                                      
CONECT   44    4                                                      
CONECT   45    5                                                      
CONECT   46    6                                                      
CONECT   47    7                                                      
CONECT   48   13                                                      
CONECT   49   13                                                      
CONECT   50   14                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   15                                                      
CONECT   54   16                                                      
CONECT   55   16                                                      
CONECT   56   17                                                      
CONECT   57   17                                                      
CONECT   58   17                                                      
CONECT   59   18                                                      
CONECT   60   18                                                      
CONECT   61   19                                                      
CONECT   62   20                                                      
CONECT   63   21                                                      
CONECT   64   22                                                      
CONECT   65   22                                                      
CONECT   66   24                                                      
CONECT   67   25                                                      
CONECT   68   26                                                      
CONECT   69   27                                                      
CONECT   70   28                                                      
CONECT   71   29                                                      
CONECT   72   33                                                      
CONECT   73   33                                                      
CONECT   74   34                                                      
CONECT   75   34                                                      
CONECT   76   35                                                      
CONECT   77   38                                                      
MASTER        0    0    0    0    0    0    0    0   77    0   77    0
END
