COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.368  -0.230   0.063  1.00  0.00           C  
HETATM    2  O   UNL     1       0.806  -3.820  -0.095  1.00  0.00           O  
HETATM    3  C   UNL     1       2.584   0.307   0.384  1.00  0.00           C  
HETATM    4  C   UNL     1       1.332   2.405  -0.038  1.00  0.00           C  
HETATM    5  C   UNL     1       0.832   3.051   1.077  1.00  0.00           C  
HETATM    6  C   UNL     1      -0.427   3.621   1.040  1.00  0.00           C  
HETATM    7  C   UNL     1      -1.186   3.545  -0.113  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.686   2.899  -1.229  1.00  0.00           C  
HETATM    9  C   UNL     1       0.576   2.334  -1.193  1.00  0.00           C  
HETATM   10  C   UNL     1       0.711  -2.613  -0.206  1.00  0.00           C  
HETATM   11  C   UNL     1      -2.224  -0.394  -0.959  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.095  -0.747   0.056  1.00  0.00           C  
HETATM   13  C   UNL     1      -2.733  -1.705   0.986  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.498  -2.316   0.906  1.00  0.00           C  
HETATM   15  C   UNL     1       3.148  -2.487  -0.411  1.00  0.00           C  
HETATM   16  C   UNL     1       4.025  -1.760   0.616  1.00  0.00           C  
HETATM   17  N   UNL     1       3.917  -0.312   0.385  1.00  0.00           N  
HETATM   18  C   UNL     1      -0.614  -1.964  -0.115  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.988  -1.000  -1.053  1.00  0.00           C  
HETATM   20  C   UNL     1       5.020   0.434   0.178  1.00  0.00           C  
HETATM   21  O   UNL     1       4.928   1.639   0.085  1.00  0.00           O  
HETATM   22  N   UNL     1       1.815  -1.867  -0.412  1.00  0.00           N  
HETATM   23  C   UNL     1       1.706  -0.420  -0.642  1.00  0.00           C  
HETATM   24  C   UNL     1       2.704   1.784   0.004  1.00  0.00           C  
HETATM   25  S   UNL     1      -4.674   0.027   0.164  1.00  0.00           S  
HETATM   26  O   UNL     1      -5.087  -0.092   1.519  1.00  0.00           O  
HETATM   27  O   UNL     1      -4.557   1.274  -0.506  1.00  0.00           O  
HETATM   28  N   UNL     1      -5.730  -0.886  -0.728  1.00  0.00           N  
HETATM   29  H   UNL     1       7.133   0.528  -0.102  1.00  0.00           H  
HETATM   30  H   UNL     1       6.585  -0.773   0.983  1.00  0.00           H  
HETATM   31  H   UNL     1       6.359  -0.926  -0.776  1.00  0.00           H  
HETATM   32  H   UNL     1       2.136   0.220   1.375  1.00  0.00           H  
HETATM   33  H   UNL     1       1.424   3.111   1.978  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.818   4.125   1.911  1.00  0.00           H  
HETATM   35  H   UNL     1      -2.171   3.986  -0.141  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.279   2.839  -2.129  1.00  0.00           H  
HETATM   37  H   UNL     1       0.966   1.830  -2.064  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.513   0.354  -1.682  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.418  -1.976   1.775  1.00  0.00           H  
HETATM   40  H   UNL     1      -1.214  -3.060   1.635  1.00  0.00           H  
HETATM   41  H   UNL     1       3.593  -2.397  -1.402  1.00  0.00           H  
HETATM   42  H   UNL     1       3.061  -3.539  -0.143  1.00  0.00           H  
HETATM   43  H   UNL     1       3.682  -1.997   1.623  1.00  0.00           H  
HETATM   44  H   UNL     1       5.062  -2.073   0.497  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.310  -0.727  -1.848  1.00  0.00           H  
HETATM   46  H   UNL     1       0.669  -0.107  -0.524  1.00  0.00           H  
HETATM   47  H   UNL     1       2.050  -0.183  -1.650  1.00  0.00           H  
HETATM   48  H   UNL     1       3.315   2.301   0.743  1.00  0.00           H  
HETATM   49  H   UNL     1       3.171   1.869  -0.977  1.00  0.00           H  
HETATM   50  H   UNL     1      -5.417  -1.683  -1.183  1.00  0.00           H  
HETATM   51  H   UNL     1      -6.662  -0.623  -0.794  1.00  0.00           H  
CONECT    1   20   29   30   31                                       
CONECT    2   10   10                                                 
CONECT    3   17   23   24   32                                       
CONECT    4    9    9    5   24                                       
CONECT    5    6    6    4   33                                       
CONECT    6    7    5    5   34                                       
CONECT    7    8    8    6   35                                       
CONECT    8    7    7    9   36                                       
CONECT    9    8    4    4   37                                       
CONECT   10   22    2    2   18                                       
CONECT   11   19   19   12   38                                       
CONECT   12   13   13   11   25                                       
CONECT   13   14   12   12   39                                       
CONECT   14   18   18   13   40                                       
CONECT   15   16   22   41   42                                       
CONECT   16   17   15   43   44                                       
CONECT   17   20   16    3                                            
CONECT   18   10   14   14   19                                       
CONECT   19   18   11   11   45                                       
CONECT   20    1   21   21   17                                       
CONECT   21   20   20                                                 
CONECT   22   15   23   10                                            
CONECT   23    3   22   46   47                                       
CONECT   24    3    4   48   49                                       
CONECT   25   12   28   27   27                                       
CONECT   25   26   26                                                 
CONECT   26   25   25                                                 
CONECT   27   25   25                                                 
CONECT   28   25   50   51                                            
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    5                                                      
CONECT   34    6                                                      
CONECT   35    7                                                      
CONECT   36    8                                                      
CONECT   37    9                                                      
CONECT   38   11                                                      
CONECT   39   13                                                      
CONECT   40   14                                                      
CONECT   41   15                                                      
CONECT   42   15                                                      
CONECT   43   16                                                      
CONECT   44   16                                                      
CONECT   45   19                                                      
CONECT   46   23                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   24                                                      
CONECT   50   28                                                      
CONECT   51   28                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
