COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       1.778   0.719   1.546  1.00  0.00           C  
HETATM    2  C   UNL     1       1.493   1.913   0.843  1.00  0.00           C  
HETATM    3  N   UNL     1       3.011   3.013   2.273  1.00  0.00           N  
HETATM    4  C   UNL     1       3.236   1.881   2.898  1.00  0.00           C  
HETATM    5  N   UNL     1       2.639   0.755   2.550  1.00  0.00           N  
HETATM    6  C   UNL     1       0.572   3.418  -0.703  1.00  0.00           C  
HETATM    7  C   UNL     1       1.459  -1.588   2.007  1.00  0.00           C  
HETATM    8  C   UNL     1       1.479  -2.839   1.127  1.00  0.00           C  
HETATM    9  C   UNL     1       0.397  -1.735   3.066  1.00  0.00           C  
HETATM   10  C   UNL     1       0.597   2.155  -0.281  1.00  0.00           C  
HETATM   11  C   UNL     1       2.151   3.076   1.249  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.273   3.916  -1.847  1.00  0.00           C  
HETATM   13  C   UNL     1      -4.369   0.534  -0.381  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.732   0.090   0.154  1.00  0.00           C  
HETATM   15  N   UNL     1      -5.570  -0.454   1.509  1.00  0.00           N  
HETATM   16  C   UNL     1      -6.870  -0.823   2.087  1.00  0.00           C  
HETATM   17  C   UNL     1      -4.651  -1.601   1.506  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.288  -1.157   0.971  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.450  -0.613  -0.384  1.00  0.00           N  
HETATM   20  C   UNL     1      -2.212  -0.262  -0.935  1.00  0.00           C  
HETATM   21  C   UNL     1      -1.452   0.739  -0.352  1.00  0.00           C  
HETATM   22  C   UNL     1      -1.740  -0.923  -2.067  1.00  0.00           C  
HETATM   23  O   UNL     1      -2.484  -1.910  -2.637  1.00  0.00           O  
HETATM   24  C   UNL     1      -0.514  -0.577  -2.614  1.00  0.00           C  
HETATM   25 CL   UNL     1       0.069  -1.403  -4.025  1.00  0.00          Cl  
HETATM   26  C   UNL     1       0.245   0.424  -2.039  1.00  0.00           C  
HETATM   27  C   UNL     1       1.577   0.797  -2.636  1.00  0.00           C  
HETATM   28  C   UNL     1      -0.219   1.085  -0.902  1.00  0.00           C  
HETATM   29  C   UNL     1      -1.634   4.371  -1.314  1.00  0.00           C  
HETATM   30  S   UNL     1       1.655   4.426   0.238  1.00  0.00           S  
HETATM   31  O   UNL     1       1.173  -0.443   1.201  1.00  0.00           O  
HETATM   32  O   UNL     1      -0.559  -0.997   3.070  1.00  0.00           O  
HETATM   33  O   UNL     1       0.514  -2.687   4.005  1.00  0.00           O  
HETATM   34  C   UNL     1       2.618  -2.744   0.144  1.00  0.00           C  
HETATM   35  C   UNL     1       2.423  -2.138  -1.083  1.00  0.00           C  
HETATM   36  C   UNL     1       3.467  -2.051  -1.985  1.00  0.00           C  
HETATM   37  C   UNL     1       4.707  -2.569  -1.659  1.00  0.00           C  
HETATM   38  C   UNL     1       4.902  -3.174  -0.431  1.00  0.00           C  
HETATM   39  C   UNL     1       3.859  -3.257   0.472  1.00  0.00           C  
HETATM   40  H   UNL     1       3.937   1.868   3.720  1.00  0.00           H  
HETATM   41  H   UNL     1       2.432  -1.463   2.483  1.00  0.00           H  
HETATM   42  H   UNL     1       1.612  -3.721   1.752  1.00  0.00           H  
HETATM   43  H   UNL     1       0.537  -2.917   0.585  1.00  0.00           H  
HETATM   44  H   UNL     1       0.227   4.755  -2.330  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.416   3.113  -2.570  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.482   0.911  -1.397  1.00  0.00           H  
HETATM   47  H   UNL     1      -3.967   1.321   0.257  1.00  0.00           H  
HETATM   48  H   UNL     1      -6.407   0.946   0.184  1.00  0.00           H  
HETATM   49  H   UNL     1      -6.147  -0.678  -0.500  1.00  0.00           H  
HETATM   50  H   UNL     1      -7.345  -1.578   1.462  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.721  -1.223   3.090  1.00  0.00           H  
HETATM   52  H   UNL     1      -7.507   0.060   2.139  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.538  -1.979   2.523  1.00  0.00           H  
HETATM   54  H   UNL     1      -5.054  -2.388   0.869  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.873  -0.390   1.625  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.613  -2.013   0.942  1.00  0.00           H  
HETATM   57  H   UNL     1      -1.814   1.250   0.528  1.00  0.00           H  
HETATM   58  H   UNL     1      -3.097  -1.597  -3.316  1.00  0.00           H  
HETATM   59  H   UNL     1       1.436   1.588  -3.373  1.00  0.00           H  
HETATM   60  H   UNL     1       2.243   1.149  -1.847  1.00  0.00           H  
HETATM   61  H   UNL     1       2.016  -0.076  -3.119  1.00  0.00           H  
HETATM   62  H   UNL     1      -2.246   4.731  -2.142  1.00  0.00           H  
HETATM   63  H   UNL     1      -2.134   3.531  -0.831  1.00  0.00           H  
HETATM   64  H   UNL     1      -1.492   5.174  -0.591  1.00  0.00           H  
HETATM   65  H   UNL     1      -0.192  -2.743   4.663  1.00  0.00           H  
HETATM   66  H   UNL     1       1.454  -1.734  -1.338  1.00  0.00           H  
HETATM   67  H   UNL     1       3.314  -1.579  -2.944  1.00  0.00           H  
HETATM   68  H   UNL     1       5.523  -2.501  -2.363  1.00  0.00           H  
HETATM   69  H   UNL     1       5.870  -3.578  -0.176  1.00  0.00           H  
HETATM   70  H   UNL     1       4.012  -3.726   1.433  1.00  0.00           H  
CONECT    1    5    5    2   31                                       
CONECT    2   11   11   10    1                                       
CONECT    3    4    4   11                                            
CONECT    4    3    3    5   40                                       
CONECT    5    4    1    1                                            
CONECT    6   30   12   10   10                                       
CONECT    7    9   31    8   41                                       
CONECT    8    7   34   42   43                                       
CONECT    9   32   32   33    7                                       
CONECT   10    6    6    2   28                                       
CONECT   11    3   30    2    2                                       
CONECT   12   29    6   44   45                                       
CONECT   13   14   19   46   47                                       
CONECT   14   13   15   48   49                                       
CONECT   15   14   16   17                                            
CONECT   16   15   50   51   52                                       
CONECT   17   15   18   53   54                                       
CONECT   18   19   17   55   56                                       
CONECT   19   13   20   18                                            
CONECT   20   21   19   22   22                                       
CONECT   21   28   28   20   57                                       
CONECT   22   20   20   24   23                                       
CONECT   23   22   58                                                 
CONECT   24   26   26   22   25                                       
CONECT   25   24                                                      
CONECT   26   28   27   24   24                                       
CONECT   27   26   59   60   61                                       
CONECT   28   10   21   21   26                                       
CONECT   29   12   62   63   64                                       
CONECT   30   11    6                                                 
CONECT   31    1    7                                                 
CONECT   32    9    9                                                 
CONECT   33    9   65                                                 
CONECT   34    8   39   39   35                                       
CONECT   35   34   36   36   66                                       
CONECT   36   35   35   37   67                                       
CONECT   37   38   38   36   68                                       
CONECT   38   39   37   37   69                                       
CONECT   39   34   34   38   70                                       
CONECT   40    4                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43    8                                                      
CONECT   44   12                                                      
CONECT   45   12                                                      
CONECT   46   13                                                      
CONECT   47   13                                                      
CONECT   48   14                                                      
CONECT   49   14                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   16                                                      
CONECT   53   17                                                      
CONECT   54   17                                                      
CONECT   55   18                                                      
CONECT   56   18                                                      
CONECT   57   21                                                      
CONECT   58   23                                                      
CONECT   59   27                                                      
CONECT   60   27                                                      
CONECT   61   27                                                      
CONECT   62   29                                                      
CONECT   63   29                                                      
CONECT   64   29                                                      
CONECT   65   33                                                      
CONECT   66   35                                                      
CONECT   67   36                                                      
CONECT   68   37                                                      
CONECT   69   38                                                      
CONECT   70   39                                                      
MASTER        0    0    0    0    0    0    0    0   70    0   70    0
END
