COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -2.753  -1.070  -0.066  1.00  0.00           C  
HETATM    2  C   UNL     1      -3.832   1.139   0.155  1.00  0.00           C  
HETATM    3  C   UNL     1      -7.451   2.694  -0.195  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.977   1.901   1.272  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.511   1.533   2.657  1.00  0.00           C  
HETATM    6  C   UNL     1      -8.752   3.294  -0.664  1.00  0.00           C  
HETATM    7  C   UNL     1       3.158  -0.527   0.181  1.00  0.00           C  
HETATM    8  C   UNL     1       6.562  -0.832   1.257  1.00  0.00           C  
HETATM    9  C   UNL     1       7.853   1.023   0.514  1.00  0.00           C  
HETATM   10  C   UNL     1       6.878   1.255  -0.488  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.635  -3.170  -0.267  1.00  0.00           C  
HETATM   12  N   UNL     1      -0.483  -2.522  -0.157  1.00  0.00           N  
HETATM   13  O   UNL     1       0.743  -0.582   0.099  1.00  0.00           O  
HETATM   14  S   UNL     1      -6.144   2.273  -1.213  1.00  0.00           S  
HETATM   15 CL   UNL     1      -1.657  -4.894  -0.461  1.00  0.00          Cl  
HETATM   16  C   UNL     1      -0.453  -1.207  -0.009  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.562  -0.488   0.037  1.00  0.00           N  
HETATM   18  C   UNL     1      -2.818  -2.455  -0.223  1.00  0.00           C  
HETATM   19  N   UNL     1      -3.913  -0.314  -0.011  1.00  0.00           N  
HETATM   20  C   UNL     1      -4.147  -3.156  -0.343  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.223   1.720   0.183  1.00  0.00           C  
HETATM   22  N   UNL     1      -7.161   2.429   1.034  1.00  0.00           N  
HETATM   23  C   UNL     1       1.912  -1.403   0.043  1.00  0.00           C  
HETATM   24  C   UNL     1       4.409  -1.406   0.122  1.00  0.00           C  
HETATM   25  C   UNL     1       5.637  -0.543   0.257  1.00  0.00           C  
HETATM   26  C   UNL     1       7.678  -0.057   1.399  1.00  0.00           C  
HETATM   27  N   UNL     1       5.805   0.461  -0.569  1.00  0.00           N  
HETATM   28  C   UNL     1       8.977   1.860   0.595  1.00  0.00           C  
HETATM   29  C   UNL     1       9.117   2.886  -0.289  1.00  0.00           C  
HETATM   30  C   UNL     1       8.159   3.117  -1.274  1.00  0.00           C  
HETATM   31  C   UNL     1       7.050   2.334  -1.373  1.00  0.00           C  
HETATM   32  H   UNL     1      -3.323   1.370   1.090  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.276   1.570  -0.678  1.00  0.00           H  
HETATM   34  H   UNL     1      -5.003   2.385   3.108  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.371   1.258   3.268  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.823   0.690   2.596  1.00  0.00           H  
HETATM   37  H   UNL     1      -9.458   2.496  -0.892  1.00  0.00           H  
HETATM   38  H   UNL     1      -9.162   3.929   0.120  1.00  0.00           H  
HETATM   39  H   UNL     1      -8.575   3.890  -1.559  1.00  0.00           H  
HETATM   40  H   UNL     1       3.184   0.198  -0.632  1.00  0.00           H  
HETATM   41  H   UNL     1       3.129  -0.001   1.136  1.00  0.00           H  
HETATM   42  H   UNL     1       6.395  -1.666   1.923  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.778  -0.747  -0.083  1.00  0.00           H  
HETATM   44  H   UNL     1      -4.436  -3.210  -1.393  1.00  0.00           H  
HETATM   45  H   UNL     1      -4.064  -4.164   0.063  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.902  -2.601   0.213  1.00  0.00           H  
HETATM   47  H   UNL     1       1.941  -1.929  -0.911  1.00  0.00           H  
HETATM   48  H   UNL     1       1.885  -2.128   0.857  1.00  0.00           H  
HETATM   49  H   UNL     1       4.383  -2.131   0.935  1.00  0.00           H  
HETATM   50  H   UNL     1       4.438  -1.932  -0.833  1.00  0.00           H  
HETATM   51  H   UNL     1       8.406  -0.267   2.169  1.00  0.00           H  
HETATM   52  H   UNL     1       9.726   1.692   1.355  1.00  0.00           H  
HETATM   53  H   UNL     1       9.982   3.530  -0.226  1.00  0.00           H  
HETATM   54  H   UNL     1       8.293   3.938  -1.963  1.00  0.00           H  
HETATM   55  H   UNL     1       6.318   2.526  -2.143  1.00  0.00           H  
CONECT    1   17   19   18   18                                       
CONECT    2   21   19   32   33                                       
CONECT    3   22   22    6   14                                       
CONECT    4    5   22   21   21                                       
CONECT    5    4   34   35   36                                       
CONECT    6    3   37   38   39                                       
CONECT    7   24   23   40   41                                       
CONECT    8   26   25   25   42                                       
CONECT    9   28   26   26   10                                       
CONECT   10    9   31   27   27                                       
CONECT   11   12   12   18   15                                       
CONECT   12   16   11   11                                            
CONECT   13   23   16                                                 
CONECT   14    3   21                                                 
CONECT   15   11                                                      
CONECT   16   13   17   17   12                                       
CONECT   17   16   16    1                                            
CONECT   18    1    1   11   20                                       
CONECT   19    2    1   43                                            
CONECT   20   18   44   45   46                                       
CONECT   21    4    4    2   14                                       
CONECT   22    4    3    3                                            
CONECT   23    7   13   47   48                                       
CONECT   24   25    7   49   50                                       
CONECT   25    8    8   27   24                                       
CONECT   26    9    9    8   51                                       
CONECT   27   10   10   25                                            
CONECT   28   29   29    9   52                                       
CONECT   29   28   28   30   53                                       
CONECT   30   29   31   31   54                                       
CONECT   31   30   30   10   55                                       
CONECT   32    2                                                      
CONECT   33    2                                                      
CONECT   34    5                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    7                                                      
CONECT   42    8                                                      
CONECT   43   19                                                      
CONECT   44   20                                                      
CONECT   45   20                                                      
CONECT   46   20                                                      
CONECT   47   23                                                      
CONECT   48   23                                                      
CONECT   49   24                                                      
CONECT   50   24                                                      
CONECT   51   26                                                      
CONECT   52   28                                                      
CONECT   53   29                                                      
CONECT   54   30                                                      
CONECT   55   31                                                      
MASTER        0    0    0    0    0    0    0    0   55    0   55    0
END
