COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.072   1.723  -0.623  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.376   0.280  -0.312  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.666   2.359  -1.800  1.00  0.00           C  
HETATM    4  O   UNL     1      -1.334   2.357   0.103  1.00  0.00           O  
HETATM    5  N   UNL     1      -1.413  -0.222   0.671  1.00  0.00           N  
HETATM    6  C   UNL     1      -3.792   0.168   0.257  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.147  -1.306   0.456  1.00  0.00           C  
HETATM    8  C   UNL     1      -5.563  -1.418   1.025  1.00  0.00           C  
HETATM    9  N   UNL     1      -5.903  -2.830   1.215  1.00  0.00           N  
HETATM   10  C   UNL     1      -7.133  -3.179   1.720  1.00  0.00           C  
HETATM   11  N   UNL     1      -8.045  -2.202   2.046  1.00  0.00           N  
HETATM   12  N   UNL     1      -7.436  -4.435   1.889  1.00  0.00           N  
HETATM   13  C   UNL     1      -0.219  -0.696   0.265  1.00  0.00           C  
HETATM   14  O   UNL     1       0.059  -0.707  -0.916  1.00  0.00           O  
HETATM   15  C   UNL     1       0.771  -1.211   1.277  1.00  0.00           C  
HETATM   16  N   UNL     1       1.981  -1.667   0.588  1.00  0.00           N  
HETATM   17  C   UNL     1       2.046  -2.920   0.088  1.00  0.00           C  
HETATM   18  C   UNL     1       3.234  -3.328  -0.566  1.00  0.00           C  
HETATM   19  C   UNL     1       4.264  -2.435  -0.678  1.00  0.00           C  
HETATM   20  N   UNL     1       4.143  -1.209  -0.171  1.00  0.00           N  
HETATM   21  C   UNL     1       3.045  -0.824   0.443  1.00  0.00           C  
HETATM   22  O   UNL     1       1.106  -3.687   0.207  1.00  0.00           O  
HETATM   23  N   UNL     1       3.349  -4.620  -1.094  1.00  0.00           N  
HETATM   24  C   UNL     1       4.582  -5.026  -1.774  1.00  0.00           C  
HETATM   25  C   UNL     1       5.597  -5.516  -0.740  1.00  0.00           C  
HETATM   26  C   UNL     1       4.272  -6.154  -2.760  1.00  0.00           C  
HETATM   27  C   UNL     1       2.962   0.547   0.987  1.00  0.00           C  
HETATM   28  C   UNL     1       2.626   0.750   2.327  1.00  0.00           C  
HETATM   29  C   UNL     1       2.550   2.032   2.829  1.00  0.00           C  
HETATM   30  C   UNL     1       2.806   3.118   2.008  1.00  0.00           C  
HETATM   31  C   UNL     1       3.142   2.923   0.677  1.00  0.00           C  
HETATM   32  C   UNL     1       3.226   1.644   0.164  1.00  0.00           C  
HETATM   33 CL   UNL     1       2.709   4.728   2.648  1.00  0.00          Cl  
HETATM   34 CL   UNL     1       3.463   4.289  -0.344  1.00  0.00          Cl  
HETATM   35  N   UNL     1      -3.484   1.845  -2.713  1.00  0.00           N  
HETATM   36  C   UNL     1      -3.912   2.587  -3.696  1.00  0.00           C  
HETATM   37  C   UNL     1      -3.507   3.889  -3.791  1.00  0.00           C  
HETATM   38  S   UNL     1      -2.479   4.032  -2.397  1.00  0.00           S  
HETATM   39  H   UNL     1      -2.304  -0.311  -1.225  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.635  -0.212   1.616  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.840   0.686   1.215  1.00  0.00           H  
HETATM   42  H   UNL     1      -4.499   0.622  -0.437  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.099  -1.824  -0.502  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.440  -1.760   1.150  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.611  -0.900   1.983  1.00  0.00           H  
HETATM   46  H   UNL     1      -6.270  -0.964   0.331  1.00  0.00           H  
HETATM   47  H   UNL     1      -5.260  -3.519   0.985  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.913  -2.448   2.402  1.00  0.00           H  
HETATM   49  H   UNL     1      -7.820  -1.267   1.920  1.00  0.00           H  
HETATM   50  H   UNL     1      -8.304  -4.681   2.245  1.00  0.00           H  
HETATM   51  H   UNL     1       0.330  -2.044   1.825  1.00  0.00           H  
HETATM   52  H   UNL     1       1.028  -0.413   1.973  1.00  0.00           H  
HETATM   53  H   UNL     1       5.177  -2.724  -1.177  1.00  0.00           H  
HETATM   54  H   UNL     1       2.613  -5.246  -1.010  1.00  0.00           H  
HETATM   55  H   UNL     1       4.996  -4.175  -2.315  1.00  0.00           H  
HETATM   56  H   UNL     1       5.817  -4.713  -0.038  1.00  0.00           H  
HETATM   57  H   UNL     1       5.182  -6.368  -0.200  1.00  0.00           H  
HETATM   58  H   UNL     1       6.514  -5.818  -1.246  1.00  0.00           H  
HETATM   59  H   UNL     1       3.858  -7.005  -2.220  1.00  0.00           H  
HETATM   60  H   UNL     1       3.549  -5.805  -3.497  1.00  0.00           H  
HETATM   61  H   UNL     1       5.189  -6.456  -3.266  1.00  0.00           H  
HETATM   62  H   UNL     1       2.425  -0.095   2.968  1.00  0.00           H  
HETATM   63  H   UNL     1       2.289   2.190   3.865  1.00  0.00           H  
HETATM   64  H   UNL     1       3.487   1.493  -0.873  1.00  0.00           H  
HETATM   65  H   UNL     1      -4.580   2.173  -4.437  1.00  0.00           H  
HETATM   66  H   UNL     1      -3.759   4.631  -4.534  1.00  0.00           H  
CONECT    1    2    3    4    4                                       
CONECT    2    1    5    6   39                                       
CONECT    3    1   35   35   38                                       
CONECT    4    1    1                                                 
CONECT    5    2   13   40                                            
CONECT    6    2    7   41   42                                       
CONECT    7    6    8   43   44                                       
CONECT    8    7    9   45   46                                       
CONECT    9    8   10   47                                            
CONECT   10    9   11   12   12                                       
CONECT   11   10   48   49                                            
CONECT   12   10   10   50                                            
CONECT   13    5   14   14   15                                       
CONECT   14   13   13                                                 
CONECT   15   13   16   51   52                                       
CONECT   16   15   17   21                                            
CONECT   17   16   18   22   22                                       
CONECT   18   17   19   19   23                                       
CONECT   19   18   18   20   53                                       
CONECT   20   19   21   21                                            
CONECT   21   16   20   20   27                                       
CONECT   22   17   17                                                 
CONECT   23   18   24   54                                            
CONECT   24   23   25   26   55                                       
CONECT   25   24   56   57   58                                       
CONECT   26   24   59   60   61                                       
CONECT   27   21   28   28   32                                       
CONECT   28   27   27   29   62                                       
CONECT   29   28   30   30   63                                       
CONECT   30   29   29   31   33                                       
CONECT   31   30   32   32   34                                       
CONECT   32   27   31   31   64                                       
CONECT   33   30                                                      
CONECT   34   31                                                      
CONECT   35    3    3   36                                            
CONECT   36   35   37   37   65                                       
CONECT   37   36   36   38   66                                       
CONECT   38    3   37                                                 
CONECT   39    2                                                      
CONECT   40    5                                                      
CONECT   41    6                                                      
CONECT   42    6                                                      
CONECT   43    7                                                      
CONECT   44    7                                                      
CONECT   45    8                                                      
CONECT   46    8                                                      
CONECT   47    9                                                      
CONECT   48   11                                                      
CONECT   49   11                                                      
CONECT   50   12                                                      
CONECT   51   15                                                      
CONECT   52   15                                                      
CONECT   53   19                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   25                                                      
CONECT   57   25                                                      
CONECT   58   25                                                      
CONECT   59   26                                                      
CONECT   60   26                                                      
CONECT   61   26                                                      
CONECT   62   28                                                      
CONECT   63   29                                                      
CONECT   64   32                                                      
CONECT   65   36                                                      
CONECT   66   37                                                      
MASTER        0    0    0    0    0    0    0    0   66    0   66    0
END
