COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.500   2.991  -2.827  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.437   2.035  -1.766  1.00  0.00           O  
HETATM    3  C   UNL     1      -3.400   2.522  -0.498  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.422   3.890  -0.278  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.384   4.383   1.013  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.323   3.515   2.088  1.00  0.00           C  
HETATM    7  C   UNL     1      -3.300   2.150   1.877  1.00  0.00           C  
HETATM    8  C   UNL     1      -3.344   1.647   0.585  1.00  0.00           C  
HETATM    9  N   UNL     1      -3.327   0.261   0.368  1.00  0.00           N  
HETATM   10  C   UNL     1      -4.482  -0.431   0.306  1.00  0.00           C  
HETATM   11  O   UNL     1      -5.552   0.139   0.442  1.00  0.00           O  
HETATM   12  C   UNL     1      -4.438  -1.823   0.081  1.00  0.00           C  
HETATM   13  C   UNL     1      -5.741  -2.572   0.022  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.547  -3.937  -0.637  1.00  0.00           C  
HETATM   15  C   UNL     1      -4.371  -4.641   0.050  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.085  -3.904  -0.320  1.00  0.00           C  
HETATM   17  C   UNL     1      -3.230  -2.426  -0.067  1.00  0.00           C  
HETATM   18  N   UNL     1      -2.111  -1.695   0.009  1.00  0.00           N  
HETATM   19  C   UNL     1      -2.142  -0.396   0.214  1.00  0.00           C  
HETATM   20  S   UNL     1      -0.631   0.507   0.296  1.00  0.00           S  
HETATM   21  C   UNL     1       0.552  -0.836   0.032  1.00  0.00           C  
HETATM   22  C   UNL     1       1.954  -0.284   0.062  1.00  0.00           C  
HETATM   23  O   UNL     1       2.135   0.901   0.245  1.00  0.00           O  
HETATM   24  N   UNL     1       3.007  -1.107  -0.114  1.00  0.00           N  
HETATM   25  C   UNL     1       4.299  -0.582  -0.195  1.00  0.00           C  
HETATM   26  C   UNL     1       5.361  -1.302   0.304  1.00  0.00           C  
HETATM   27  C   UNL     1       6.658  -0.772   0.221  1.00  0.00           C  
HETATM   28  N   UNL     1       7.711  -1.447   0.696  1.00  0.00           N  
HETATM   29  C   UNL     1       8.914  -0.927   0.604  1.00  0.00           C  
HETATM   30  C   UNL     1       9.106   0.324   0.016  1.00  0.00           C  
HETATM   31  N   UNL     1       8.088   1.007  -0.458  1.00  0.00           N  
HETATM   32  C   UNL     1       6.854   0.499  -0.378  1.00  0.00           C  
HETATM   33  C   UNL     1       5.746   1.208  -0.878  1.00  0.00           C  
HETATM   34  C   UNL     1       4.502   0.670  -0.790  1.00  0.00           C  
HETATM   35  H   UNL     1      -2.622   3.636  -2.786  1.00  0.00           H  
HETATM   36  H   UNL     1      -3.524   2.470  -3.784  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.400   3.595  -2.718  1.00  0.00           H  
HETATM   38  H   UNL     1      -3.469   4.570  -1.115  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.401   5.450   1.182  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.293   3.905   3.094  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.252   1.474   2.718  1.00  0.00           H  
HETATM   42  H   UNL     1      -6.121  -2.713   1.034  1.00  0.00           H  
HETATM   43  H   UNL     1      -6.462  -1.994  -0.555  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.451  -4.534  -0.520  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.327  -3.805  -1.697  1.00  0.00           H  
HETATM   46  H   UNL     1      -4.509  -4.617   1.131  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.312  -5.675  -0.290  1.00  0.00           H  
HETATM   48  H   UNL     1      -2.262  -4.293   0.280  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.868  -4.068  -1.376  1.00  0.00           H  
HETATM   50  H   UNL     1       0.438  -1.582   0.819  1.00  0.00           H  
HETATM   51  H   UNL     1       0.365  -1.300  -0.937  1.00  0.00           H  
HETATM   52  H   UNL     1       2.867  -2.065  -0.183  1.00  0.00           H  
HETATM   53  H   UNL     1       5.196  -2.269   0.758  1.00  0.00           H  
HETATM   54  H   UNL     1       3.656   1.218  -1.180  1.00  0.00           H  
HETATM   55  H   UNL     1       9.763  -1.473   0.989  1.00  0.00           H  
HETATM   56  H   UNL     1      10.102   0.736  -0.050  1.00  0.00           H  
HETATM   57  H   UNL     1       5.886   2.176  -1.335  1.00  0.00           H  
CONECT    1    2   35   36   37                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    8    8                                       
CONECT    4    3    5    5   38                                       
CONECT    5    4    4    6   39                                       
CONECT    6    5    7    7   40                                       
CONECT    7    6    6    8   41                                       
CONECT    8    3    3    7    9                                       
CONECT    9    8   10   19                                            
CONECT   10    9   11   11   12                                       
CONECT   11   10   10                                                 
CONECT   12   10   13   17   17                                       
CONECT   13   12   14   42   43                                       
CONECT   14   13   15   44   45                                       
CONECT   15   14   16   46   47                                       
CONECT   16   15   17   48   49                                       
CONECT   17   12   12   16   18                                       
CONECT   18   17   19   19                                            
CONECT   19    9   18   18   20                                       
CONECT   20   19   21                                                 
CONECT   21   20   22   50   51                                       
CONECT   22   21   23   23   24                                       
CONECT   23   22   22                                                 
CONECT   24   22   25   52                                            
CONECT   25   24   26   26   34                                       
CONECT   26   25   25   27   53                                       
CONECT   27   26   28   28   32                                       
CONECT   28   27   27   29                                            
CONECT   29   28   30   30   55                                       
CONECT   30   29   29   31   56                                       
CONECT   31   30   32   32                                            
CONECT   32   27   31   31   33                                       
CONECT   33   32   34   34   57                                       
CONECT   34   25   33   33   54                                       
CONECT   35    1                                                      
CONECT   36    1                                                      
CONECT   37    1                                                      
CONECT   38    4                                                      
CONECT   39    5                                                      
CONECT   40    6                                                      
CONECT   41    7                                                      
CONECT   42   13                                                      
CONECT   43   13                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   15                                                      
CONECT   48   16                                                      
CONECT   49   16                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   24                                                      
CONECT   53   26                                                      
CONECT   54   34                                                      
CONECT   55   29                                                      
CONECT   56   30                                                      
CONECT   57   33                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
