COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.0.0
HETATM    1  C   UNL     1      -2.760   2.765  -2.451  1.00  0.00           C  
HETATM    2  C   UNL     1      -2.813   1.327  -1.931  1.00  0.00           C  
HETATM    3  C   UNL     1      -2.609   1.325  -0.414  1.00  0.00           C  
HETATM    4  C   UNL     1      -5.204  -0.045   0.447  1.00  0.00           C  
HETATM    5  C   UNL     1      -5.367   1.255   0.908  1.00  0.00           C  
HETATM    6  C   UNL     1      -6.613   1.850   0.864  1.00  0.00           C  
HETATM    7  C   UNL     1      -7.696   1.154   0.361  1.00  0.00           C  
HETATM    8  C   UNL     1      -7.537  -0.140  -0.099  1.00  0.00           C  
HETATM    9  C   UNL     1      -6.294  -0.741  -0.057  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.343  -0.810   0.047  1.00  0.00           C  
HETATM   11  C   UNL     1       2.479  -0.416  -0.002  1.00  0.00           C  
HETATM   12  C   UNL     1       3.809  -0.277  -0.344  1.00  0.00           C  
HETATM   13  C   UNL     1       4.540  -1.380  -0.746  1.00  0.00           C  
HETATM   14  C   UNL     1       3.942  -2.625  -0.807  1.00  0.00           C  
HETATM   15  C   UNL     1       1.960  -4.128  -0.532  1.00  0.00           C  
HETATM   16  C   UNL     1       6.575   1.041   1.535  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.782  -0.075   0.114  1.00  0.00           C  
HETATM   18  C   UNL     1      -1.779  -1.004   0.312  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.389  -2.175   0.817  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.671  -1.955   0.913  1.00  0.00           N  
HETATM   21  N   UNL     1      -3.941  -0.650   0.485  1.00  0.00           N  
HETATM   22  O   UNL     1       0.057   0.252  -0.391  1.00  0.00           O  
HETATM   23  N   UNL     1       0.528  -1.810   0.288  1.00  0.00           N  
HETATM   24  C   UNL     1       1.875  -1.665  -0.062  1.00  0.00           C  
HETATM   25  C   UNL     1       2.611  -2.770  -0.466  1.00  0.00           C  
HETATM   26  S   UNL     1       4.576   1.308  -0.268  1.00  0.00           S  
HETATM   27  O   UNL     1       5.685   1.260  -1.156  1.00  0.00           O  
HETATM   28  O   UNL     1       3.532   2.265  -0.380  1.00  0.00           O  
HETATM   29  N   UNL     1       5.204   1.477   1.255  1.00  0.00           N  
HETATM   30  C   UNL     1       4.389   2.062   2.322  1.00  0.00           C  
HETATM   31  H   UNL     1      -3.547   3.352  -1.977  1.00  0.00           H  
HETATM   32  H   UNL     1      -1.789   3.201  -2.214  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.905   2.766  -3.531  1.00  0.00           H  
HETATM   34  H   UNL     1      -3.784   0.891  -2.167  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.027   0.740  -2.404  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.605   1.680  -0.183  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.343   1.982   0.052  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.521   1.799   1.301  1.00  0.00           H  
HETATM   39  H   UNL     1      -6.740   2.861   1.223  1.00  0.00           H  
HETATM   40  H   UNL     1      -8.669   1.622   0.328  1.00  0.00           H  
HETATM   41  H   UNL     1      -8.385  -0.682  -0.491  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.170  -1.752  -0.417  1.00  0.00           H  
HETATM   43  H   UNL     1       1.909   0.445   0.316  1.00  0.00           H  
HETATM   44  H   UNL     1       5.581  -1.268  -1.013  1.00  0.00           H  
HETATM   45  H   UNL     1       4.516  -3.484  -1.121  1.00  0.00           H  
HETATM   46  H   UNL     1       2.072  -4.632   0.428  1.00  0.00           H  
HETATM   47  H   UNL     1       0.901  -4.012  -0.760  1.00  0.00           H  
HETATM   48  H   UNL     1       2.437  -4.722  -1.312  1.00  0.00           H  
HETATM   49  H   UNL     1       7.262   1.868   1.357  1.00  0.00           H  
HETATM   50  H   UNL     1       6.650   0.723   2.574  1.00  0.00           H  
HETATM   51  H   UNL     1       6.832   0.208   0.880  1.00  0.00           H  
HETATM   52  H   UNL     1      -1.882  -3.092   1.078  1.00  0.00           H  
HETATM   53  H   UNL     1       0.221  -2.630   0.705  1.00  0.00           H  
HETATM   54  H   UNL     1       4.967   2.091   3.246  1.00  0.00           H  
HETATM   55  H   UNL     1       4.098   3.074   2.044  1.00  0.00           H  
HETATM   56  H   UNL     1       3.496   1.455   2.471  1.00  0.00           H  
CONECT    1    2   31   32   33                                       
CONECT    2    1    3   34   35                                       
CONECT    3    2   17   36   37                                       
CONECT    4    5   21    9    9                                       
CONECT    5    6    6    4   38                                       
CONECT    6    5    5    7   39                                       
CONECT    7    6    8    8   40                                       
CONECT    8    7    7    9   41                                       
CONECT    9    4    4    8   42                                       
CONECT   10   22   22   18   23                                       
CONECT   11   12   12   24   43                                       
CONECT   12   26   11   11   13                                       
CONECT   13   12   14   14   44                                       
CONECT   14   13   13   25   45                                       
CONECT   15   25   46   47   48                                       
CONECT   16   29   49   50   51                                       
CONECT   17    3   18   18   21                                       
CONECT   18   10   17   17   19                                       
CONECT   19   18   20   20   52                                       
CONECT   20   21   19   19                                            
CONECT   21   17    4   20                                            
CONECT   22   10   10                                                 
CONECT   23   10   24   53                                            
CONECT   24   11   23   25   25                                       
CONECT   25   24   24   14   15                                       
CONECT   26   29   27   27   28                                       
CONECT   26   28   12                                                 
CONECT   27   26   26                                                 
CONECT   28   26   26                                                 
CONECT   29   16   30   26                                            
CONECT   30   29   54   55   56                                       
CONECT   31    1                                                      
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    2                                                      
CONECT   35    2                                                      
CONECT   36    3                                                      
CONECT   37    3                                                      
CONECT   38    5                                                      
CONECT   39    6                                                      
CONECT   40    7                                                      
CONECT   41    8                                                      
CONECT   42    9                                                      
CONECT   43   11                                                      
CONECT   44   13                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   15                                                      
CONECT   49   16                                                      
CONECT   50   16                                                      
CONECT   51   16                                                      
CONECT   52   19                                                      
CONECT   53   23                                                      
CONECT   54   30                                                      
CONECT   55   30                                                      
CONECT   56   30                                                      
MASTER        0    0    0    0    0    0    0    0   56    0   56    0
END
