COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.571   3.719  -1.462  1.00  0.00           C  
HETATM    2  C   UNL     1       2.935   3.319  -0.156  1.00  0.00           C  
HETATM    3  C   UNL     1       3.333   3.926   1.021  1.00  0.00           C  
HETATM    4  C   UNL     1       2.750   3.559   2.219  1.00  0.00           C  
HETATM    5  C   UNL     1       1.770   2.584   2.241  1.00  0.00           C  
HETATM    6  C   UNL     1       1.373   1.977   1.065  1.00  0.00           C  
HETATM    7  C   UNL     1       1.951   2.348  -0.134  1.00  0.00           C  
HETATM    8  C   UNL     1       1.518   1.686  -1.417  1.00  0.00           C  
HETATM    9  N   UNL     1       0.408   0.771  -1.143  1.00  0.00           N  
HETATM   10  C   UNL     1      -0.975   1.227  -1.303  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.729   0.345  -2.333  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.197   0.506  -1.865  1.00  0.00           C  
HETATM   13  N   UNL     1      -3.121   0.551  -0.393  1.00  0.00           N  
HETATM   14  C   UNL     1      -1.778   1.005  -0.004  1.00  0.00           C  
HETATM   15  S   UNL     1      -4.345   0.156   0.649  1.00  0.00           S  
HETATM   16  C   UNL     1      -4.124  -1.617   0.957  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.062   0.906   1.823  1.00  0.00           O  
HETATM   18  O   UNL     1      -5.531   0.388  -0.099  1.00  0.00           O  
HETATM   19  C   UNL     1       0.666  -0.533  -0.730  1.00  0.00           C  
HETATM   20  C   UNL     1      -0.390  -1.406  -0.485  1.00  0.00           C  
HETATM   21  C   UNL     1      -0.139  -2.696  -0.077  1.00  0.00           C  
HETATM   22  C   UNL     1       1.180  -3.131   0.092  1.00  0.00           C  
HETATM   23  C   UNL     1       1.444  -4.473   0.516  1.00  0.00           C  
HETATM   24  N   UNL     1       1.655  -5.537   0.852  1.00  0.00           N  
HETATM   25  C   UNL     1       2.239  -2.251  -0.155  1.00  0.00           C  
HETATM   26 CL   UNL     1       3.878  -2.784   0.052  1.00  0.00          Cl  
HETATM   27  C   UNL     1       1.980  -0.962  -0.569  1.00  0.00           C  
HETATM   28  H   UNL     1       4.490   3.151  -1.609  1.00  0.00           H  
HETATM   29  H   UNL     1       2.881   3.511  -2.280  1.00  0.00           H  
HETATM   30  H   UNL     1       3.801   4.784  -1.443  1.00  0.00           H  
HETATM   31  H   UNL     1       4.099   4.688   1.003  1.00  0.00           H  
HETATM   32  H   UNL     1       3.061   4.034   3.138  1.00  0.00           H  
HETATM   33  H   UNL     1       1.315   2.297   3.178  1.00  0.00           H  
HETATM   34  H   UNL     1       0.608   1.215   1.083  1.00  0.00           H  
HETATM   35  H   UNL     1       1.195   2.447  -2.128  1.00  0.00           H  
HETATM   36  H   UNL     1       2.354   1.128  -1.838  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.001   2.276  -1.598  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.597   0.727  -3.345  1.00  0.00           H  
HETATM   39  H   UNL     1      -1.409  -0.695  -2.264  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.618   1.433  -2.251  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.793  -0.347  -2.188  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.291   0.245   0.607  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.849   1.940   0.552  1.00  0.00           H  
HETATM   44  H   UNL     1      -3.142  -1.790   1.399  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.897  -1.967   1.642  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.199  -2.162   0.016  1.00  0.00           H  
HETATM   47  H   UNL     1      -1.408  -1.071  -0.616  1.00  0.00           H  
HETATM   48  H   UNL     1      -0.959  -3.372   0.113  1.00  0.00           H  
HETATM   49  H   UNL     1       2.797  -0.282  -0.760  1.00  0.00           H  
CONECT    1    2   28   29   30                                       
CONECT    2    1    7    7    3                                       
CONECT    3    2    4    4   31                                       
CONECT    4    3    3    5   32                                       
CONECT    5    4    6    6   33                                       
CONECT    6    5    5    7   34                                       
CONECT    7    2    2    6    8                                       
CONECT    8    7    9   35   36                                       
CONECT    9    8   19   10                                            
CONECT   10    9   11   14   37                                       
CONECT   11   10   12   38   39                                       
CONECT   12   11   13   40   41                                       
CONECT   13   12   14   15                                            
CONECT   14   10   13   42   43                                       
CONECT   15   13   16   17   17                                       
CONECT   15   18   18                                                 
CONECT   16   15   44   45   46                                       
CONECT   17   15   15                                                 
CONECT   18   15   15                                                 
CONECT   19    9   27   27   20                                       
CONECT   20   19   21   21   47                                       
CONECT   21   20   20   22   48                                       
CONECT   22   21   23   25   25                                       
CONECT   23   22   24   24   24                                       
CONECT   24   23   23   23                                            
CONECT   25   22   22   26   27                                       
CONECT   26   25                                                      
CONECT   27   19   19   25   49                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    8                                                      
CONECT   36    8                                                      
CONECT   37   10                                                      
CONECT   38   11                                                      
CONECT   39   11                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   14                                                      
CONECT   43   14                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   16                                                      
CONECT   47   20                                                      
CONECT   48   21                                                      
CONECT   49   27                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
