COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  N   UNL     1      -0.909   0.298   1.782  1.00  0.00           N  
HETATM    2  N   UNL     1       5.174  -1.673  -0.844  1.00  0.00           N  
HETATM    3  C   UNL     1      -0.920  -1.306  -2.155  1.00  0.00           C  
HETATM    4  C   UNL     1      -1.282   0.760  -0.614  1.00  0.00           C  
HETATM    5  C   UNL     1      -1.378  -0.038   0.624  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.077  -1.341   0.534  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.671  -2.410   1.332  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.382  -3.777   0.363  1.00  0.00           C  
HETATM    9  C   UNL     1      -0.110   1.509   1.985  1.00  0.00           C  
HETATM   10  C   UNL     1       2.013   0.331   1.482  1.00  0.00           C  
HETATM   11  C   UNL     1       5.241  -1.043   0.313  1.00  0.00           C  
HETATM   12  C   UNL     1       7.513  -0.455  -0.125  1.00  0.00           C  
HETATM   13  C   UNL     1       6.407  -0.415   0.710  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.388   2.133  -0.676  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.200   4.124   0.567  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.937   0.715  -4.374  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.797  -2.716  -0.424  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.147  -1.502  -0.347  1.00  0.00           C  
HETATM   19  C   UNL     1       1.117   1.472   1.072  1.00  0.00           C  
HETATM   20  C   UNL     1       4.032  -1.006   1.212  1.00  0.00           C  
HETATM   21  C   UNL     1       6.206  -1.731  -1.663  1.00  0.00           C  
HETATM   22  C   UNL     1       7.405  -1.127  -1.333  1.00  0.00           C  
HETATM   23  C   UNL     1      -1.102   1.057  -2.916  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.949   2.715   1.652  1.00  0.00           C  
HETATM   25  C   UNL     1      -3.012   4.809  -0.502  1.00  0.00           C  
HETATM   26  C   UNL     1      -1.099   0.174  -1.931  1.00  0.00           C  
HETATM   27  C   UNL     1      -2.325  -3.621   1.244  1.00  0.00           C  
HETATM   28  N   UNL     1       3.161   0.103   0.814  1.00  0.00           N  
HETATM   29  N   UNL     1      -1.520   2.959   0.443  1.00  0.00           N  
HETATM   30  N   UNL     1      -1.270   3.705   2.434  1.00  0.00           N  
HETATM   31  N   UNL     1      -2.014   4.540   1.794  1.00  0.00           N  
HETATM   32  O   UNL     1       1.701  -0.382   2.412  1.00  0.00           O  
HETATM   33  S   UNL     1      -1.324   2.679  -2.291  1.00  0.00           S  
HETATM   34 CL   UNL     1      -4.201  -5.305   0.257  1.00  0.00          Cl  
HETATM   35  H   UNL     1      -1.884  -1.756  -2.393  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.230  -1.467  -2.983  1.00  0.00           H  
HETATM   37  H   UNL     1      -0.518  -1.764  -1.252  1.00  0.00           H  
HETATM   38  H   UNL     1      -0.846  -2.289   2.019  1.00  0.00           H  
HETATM   39  H   UNL     1       0.210   1.564   3.026  1.00  0.00           H  
HETATM   40  H   UNL     1       8.438   0.026   0.159  1.00  0.00           H  
HETATM   41  H   UNL     1       6.455   0.100   1.658  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.978   1.628  -4.968  1.00  0.00           H  
HETATM   43  H   UNL     1       0.025   0.225  -4.526  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.739   0.044  -4.683  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.622  -2.843  -1.109  1.00  0.00           H  
HETATM   46  H   UNL     1      -3.465  -0.677  -0.967  1.00  0.00           H  
HETATM   47  H   UNL     1       0.798   1.330   0.040  1.00  0.00           H  
HETATM   48  H   UNL     1       1.663   2.411   1.159  1.00  0.00           H  
HETATM   49  H   UNL     1       3.487  -1.945   1.126  1.00  0.00           H  
HETATM   50  H   UNL     1       4.352  -0.864   2.244  1.00  0.00           H  
HETATM   51  H   UNL     1       6.114  -2.257  -2.601  1.00  0.00           H  
HETATM   52  H   UNL     1       8.247  -1.178  -2.007  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.042   4.455  -0.458  1.00  0.00           H  
HETATM   54  H   UNL     1      -2.990   5.886  -0.340  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.591   4.580  -1.481  1.00  0.00           H  
HETATM   56  H   UNL     1      -2.005  -4.452   1.855  1.00  0.00           H  
HETATM   57  H   UNL     1       3.411   0.673   0.070  1.00  0.00           H  
CONECT    1    5    5    9                                            
CONECT    2   21   21   11                                            
CONECT    3   26   35   36   37                                       
CONECT    4    5   26   14   14                                       
CONECT    5    6    1    1    4                                       
CONECT    6   18   18    7    5                                       
CONECT    7   27   27    6   38                                       
CONECT    8   34   17   17   27                                       
CONECT    9    1   19   24   39                                       
CONECT   10   28   32   32   19                                       
CONECT   11   13   13    2   20                                       
CONECT   12   22   22   13   40                                       
CONECT   13   12   11   11   41                                       
CONECT   14    4    4   29   33                                       
CONECT   15   29   31   31   25                                       
CONECT   16   23   42   43   44                                       
CONECT   17    8    8   18   45                                       
CONECT   18   17    6    6   46                                       
CONECT   19   10    9   47   48                                       
CONECT   20   11   28   49   50                                       
CONECT   21   22    2    2   51                                       
CONECT   22   12   12   21   52                                       
CONECT   23   26   26   16   33                                       
CONECT   24    9   30   30   29                                       
CONECT   25   15   53   54   55                                       
CONECT   26    3    4   23   23                                       
CONECT   27    8    7    7   56                                       
CONECT   28   20   10   57                                            
CONECT   29   24   14   15                                            
CONECT   30   24   24   31                                            
CONECT   31   30   15   15                                            
CONECT   32   10   10                                                 
CONECT   33   14   23                                                 
CONECT   34    8                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    7                                                      
CONECT   39    9                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   16                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   19                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   20                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   25                                                      
CONECT   54   25                                                      
CONECT   55   25                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
