COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.611  -0.929   0.280  1.00  0.00           C  
HETATM    2  C   UNL     1      -1.784   0.829   1.792  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.747  -1.600   2.376  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.786   0.195   0.458  1.00  0.00           C  
HETATM    5  C   UNL     1      -6.046   1.436   1.319  1.00  0.00           C  
HETATM    6  C   UNL     1      -4.136   2.579   0.421  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.778   1.396  -0.486  1.00  0.00           C  
HETATM    8  C   UNL     1       1.831  -2.559  -0.209  1.00  0.00           C  
HETATM    9  C   UNL     1       0.987  -1.672  -0.873  1.00  0.00           C  
HETATM   10  C   UNL     1       1.283  -0.343  -0.949  1.00  0.00           C  
HETATM   11  C   UNL     1       2.978  -2.124   0.385  1.00  0.00           C  
HETATM   12  C   UNL     1       2.812   1.504  -0.395  1.00  0.00           C  
HETATM   13  C   UNL     1       4.742   1.080   0.823  1.00  0.00           C  
HETATM   14 CL   UNL     1       5.578  -1.306   1.764  1.00  0.00          Cl  
HETATM   15  C   UNL     1       4.484  -0.254   0.921  1.00  0.00           C  
HETATM   16  C   UNL     1       3.312  -0.765   0.327  1.00  0.00           C  
HETATM   17  N   UNL     1       3.925   1.908   0.186  1.00  0.00           N  
HETATM   18  N   UNL     1       1.996   2.417  -1.049  1.00  0.00           N  
HETATM   19  C   UNL     1       2.290   3.762  -1.001  1.00  0.00           C  
HETATM   20  N   UNL     1       3.388   4.169  -0.428  1.00  0.00           N  
HETATM   21  N   UNL     1       1.426   4.675  -1.557  1.00  0.00           N  
HETATM   22  C   UNL     1       2.454   0.139  -0.350  1.00  0.00           C  
HETATM   23  S   UNL     1      -0.486  -2.276  -1.629  1.00  0.00           S  
HETATM   24  O   UNL     1      -0.827  -1.344  -2.645  1.00  0.00           O  
HETATM   25  O   UNL     1      -0.269  -3.658  -1.882  1.00  0.00           O  
HETATM   26  N   UNL     1      -1.689  -2.192  -0.494  1.00  0.00           N  
HETATM   27  C   UNL     1      -2.129  -0.889   0.011  1.00  0.00           C  
HETATM   28  C   UNL     1      -1.384  -0.566   1.308  1.00  0.00           C  
HETATM   29  O   UNL     1      -4.129  -1.954   0.671  1.00  0.00           O  
HETATM   30  N   UNL     1      -4.361   0.175   0.092  1.00  0.00           N  
HETATM   31  O   UNL     1      -5.549   2.592   0.641  1.00  0.00           O  
HETATM   32  H   UNL     1      -2.840   0.831   2.061  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.186   1.096   2.664  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.610   1.553   0.997  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.821  -1.573   2.557  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.462  -2.594   2.030  1.00  0.00           H  
HETATM   37  H   UNL     1      -1.216  -1.370   3.299  1.00  0.00           H  
HETATM   38  H   UNL     1      -6.032  -0.703   1.024  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.396   0.238  -0.444  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.118   1.544   1.486  1.00  0.00           H  
HETATM   41  H   UNL     1      -5.537   1.328   2.277  1.00  0.00           H  
HETATM   42  H   UNL     1      -3.620   2.475   1.376  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.833   3.510  -0.057  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.186   1.562  -1.483  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.694   1.294  -0.545  1.00  0.00           H  
HETATM   46  H   UNL     1       1.570  -3.606  -0.161  1.00  0.00           H  
HETATM   47  H   UNL     1       0.620   0.333  -1.468  1.00  0.00           H  
HETATM   48  H   UNL     1       3.623  -2.822   0.897  1.00  0.00           H  
HETATM   49  H   UNL     1       5.638   1.474   1.278  1.00  0.00           H  
HETATM   50  H   UNL     1       1.218   2.108  -1.539  1.00  0.00           H  
HETATM   51  H   UNL     1       3.596   5.116  -0.395  1.00  0.00           H  
HETATM   52  H   UNL     1       0.575   4.381  -1.918  1.00  0.00           H  
HETATM   53  H   UNL     1       1.667   5.615  -1.589  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.102  -3.005  -0.163  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.915  -0.120  -0.732  1.00  0.00           H  
HETATM   56  H   UNL     1      -0.310  -0.594   1.126  1.00  0.00           H  
CONECT    1   30   27   29   29                                       
CONECT    2   28   32   33   34                                       
CONECT    3   28   35   36   37                                       
CONECT    4    5   30   38   39                                       
CONECT    5   31    4   40   41                                       
CONECT    6   31    7   42   43                                       
CONECT    7    6   30   44   45                                       
CONECT    8    9    9   11   46                                       
CONECT    9   23    8    8   10                                       
CONECT   10    9   22   22   47                                       
CONECT   11    8   16   16   48                                       
CONECT   12   22   17   17   18                                       
CONECT   13   15   15   17   49                                       
CONECT   14   15                                                      
CONECT   15   14   16   13   13                                       
CONECT   16   11   11   22   15                                       
CONECT   17   13   12   12                                            
CONECT   18   12   19   50                                            
CONECT   19   18   20   20   21                                       
CONECT   20   19   19   51                                            
CONECT   21   19   52   53                                            
CONECT   22   10   10   16   12                                       
CONECT   23   26   24   24   25                                       
CONECT   23   25    9                                                 
CONECT   24   23   23                                                 
CONECT   25   23   23                                                 
CONECT   26   27   23   54                                            
CONECT   27   28    1   26   55                                       
CONECT   28    3    2   27   56                                       
CONECT   29    1    1                                                 
CONECT   30    4    7    1                                            
CONECT   31    5    6                                                 
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    4                                                      
CONECT   39    4                                                      
CONECT   40    5                                                      
CONECT   41    5                                                      
CONECT   42    6                                                      
CONECT   43    6                                                      
CONECT   44    7                                                      
CONECT   45    7                                                      
CONECT   46    8                                                      
CONECT   47   10                                                      
CONECT   48   11                                                      
CONECT   49   13                                                      
CONECT   50   18                                                      
CONECT   51   20                                                      
CONECT   52   21                                                      
CONECT   53   21                                                      
CONECT   54   26                                                      
CONECT   55   27                                                      
CONECT   56   28                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
