COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       4.236   0.285   0.161  1.00  0.00           C  
HETATM    2  C   UNL     1       4.326   1.664   0.846  1.00  0.00           C  
HETATM    3  C   UNL     1       4.571   2.740  -0.102  1.00  0.00           C  
HETATM    4  C   UNL     1       3.435   2.884  -1.135  1.00  0.00           C  
HETATM    5  C   UNL     1       3.622   1.838  -2.201  1.00  0.00           C  
HETATM    6  C   UNL     1       2.815   0.556  -1.917  1.00  0.00           C  
HETATM    7  C   UNL     1       2.863   0.131  -0.435  1.00  0.00           C  
HETATM    8  N   UNL     1       2.447  -1.270  -0.331  1.00  0.00           N  
HETATM    9  S   UNL     1       1.564  -1.776   0.976  1.00  0.00           S  
HETATM   10  O   UNL     1       1.285  -3.153   0.762  1.00  0.00           O  
HETATM   11  O   UNL     1       2.239  -1.290   2.128  1.00  0.00           O  
HETATM   12  C   UNL     1       0.016  -0.938   0.915  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.339  -0.052   1.896  1.00  0.00           C  
HETATM   14  C   UNL     1      -1.550   0.639   1.900  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.461   0.443   0.878  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.086  -0.460  -0.111  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.880  -1.161  -0.144  1.00  0.00           C  
HETATM   18  C   UNL     1      -0.670  -2.029  -1.229  1.00  0.00           C  
HETATM   19  C   UNL     1      -1.642  -2.138  -2.188  1.00  0.00           C  
HETATM   20  C   UNL     1      -2.840  -1.426  -2.143  1.00  0.00           C  
HETATM   21  C   UNL     1      -3.090  -0.569  -1.086  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.140   0.349  -0.626  1.00  0.00           C  
HETATM   23  O   UNL     1      -5.199   0.560  -1.185  1.00  0.00           O  
HETATM   24  N   UNL     1      -3.720   0.919   0.534  1.00  0.00           N  
HETATM   25  C   UNL     1      -4.486   1.897   1.311  1.00  0.00           C  
HETATM   26  C   UNL     1      -4.144   3.309   0.834  1.00  0.00           C  
HETATM   27  H   UNL     1       4.987   0.218  -0.626  1.00  0.00           H  
HETATM   28  H   UNL     1       4.406  -0.502   0.897  1.00  0.00           H  
HETATM   29  H   UNL     1       3.389   1.860   1.368  1.00  0.00           H  
HETATM   30  H   UNL     1       5.137   1.644   1.574  1.00  0.00           H  
HETATM   31  H   UNL     1       4.672   3.677   0.445  1.00  0.00           H  
HETATM   32  H   UNL     1       5.503   2.538  -0.631  1.00  0.00           H  
HETATM   33  H   UNL     1       2.473   2.738  -0.644  1.00  0.00           H  
HETATM   34  H   UNL     1       3.473   3.876  -1.586  1.00  0.00           H  
HETATM   35  H   UNL     1       3.305   2.250  -3.159  1.00  0.00           H  
HETATM   36  H   UNL     1       4.680   1.582  -2.262  1.00  0.00           H  
HETATM   37  H   UNL     1       1.776   0.725  -2.202  1.00  0.00           H  
HETATM   38  H   UNL     1       3.217  -0.254  -2.526  1.00  0.00           H  
HETATM   39  H   UNL     1       2.165   0.747   0.131  1.00  0.00           H  
HETATM   40  H   UNL     1       2.689  -1.901  -1.026  1.00  0.00           H  
HETATM   41  H   UNL     1       0.353   0.120   2.707  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.777   1.327   2.701  1.00  0.00           H  
HETATM   43  H   UNL     1       0.243  -2.600  -1.306  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.472  -2.807  -3.018  1.00  0.00           H  
HETATM   45  H   UNL     1      -3.574  -1.549  -2.926  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.552   1.715   1.173  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.235   1.799   2.367  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.714   4.036   1.411  1.00  0.00           H  
HETATM   49  H   UNL     1      -3.078   3.491   0.971  1.00  0.00           H  
HETATM   50  H   UNL     1      -4.395   3.407  -0.223  1.00  0.00           H  
CONECT    1    2    7   27   28                                       
CONECT    2    3    1   29   30                                       
CONECT    3    4    2   31   32                                       
CONECT    4    5    3   33   34                                       
CONECT    5    4    6   35   36                                       
CONECT    6    5    7   37   38                                       
CONECT    7    6    1    8   39                                       
CONECT    8    7    9   40                                            
CONECT    9    8   11   11   10                                       
CONECT    9   10   12                                                 
CONECT   10    9    9                                                 
CONECT   11    9    9                                                 
CONECT   12    9   17   17   13                                       
CONECT   13   12   14   14   41                                       
CONECT   14   13   13   15   42                                       
CONECT   15   16   16   14   24                                       
CONECT   16   17   15   15   21                                       
CONECT   17   12   12   18   16                                       
CONECT   18   17   19   19   43                                       
CONECT   19   18   18   20   44                                       
CONECT   20   19   21   21   45                                       
CONECT   21   16   20   20   22                                       
CONECT   22   21   24   23   23                                       
CONECT   23   22   22                                                 
CONECT   24   15   22   25                                            
CONECT   25   24   26   46   47                                       
CONECT   26   25   48   49   50                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    5                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    6                                                      
CONECT   39    7                                                      
CONECT   40    8                                                      
CONECT   41   13                                                      
CONECT   42   14                                                      
CONECT   43   18                                                      
CONECT   44   19                                                      
CONECT   45   20                                                      
CONECT   46   25                                                      
CONECT   47   25                                                      
CONECT   48   26                                                      
CONECT   49   26                                                      
CONECT   50   26                                                      
MASTER        0    0    0    0    0    0    0    0   50    0   50    0
END
