COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -0.902   3.851  -0.215  1.00  0.00           O  
HETATM    2  C   UNL     1      -0.711   2.654  -0.124  1.00  0.00           C  
HETATM    3  C   UNL     1      -1.855   1.723  -0.112  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.058   2.101   0.494  1.00  0.00           C  
HETATM    5  C   UNL     1      -4.117   1.238   0.505  1.00  0.00           C  
HETATM    6  C   UNL     1      -3.999  -0.021  -0.089  1.00  0.00           C  
HETATM    7  C   UNL     1      -5.148  -0.955  -0.076  1.00  0.00           C  
HETATM    8  C   UNL     1      -6.331  -0.651   0.489  1.00  0.00           C  
HETATM    9  S   UNL     1      -7.425  -1.949   0.322  1.00  0.00           S  
HETATM   10  C   UNL     1      -6.232  -2.913  -0.535  1.00  0.00           C  
HETATM   11  C   UNL     1      -5.099  -2.224  -0.656  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.799  -0.399  -0.694  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.740   0.464  -0.711  1.00  0.00           C  
HETATM   14  C   UNL     1       0.666   2.131  -0.034  1.00  0.00           C  
HETATM   15  C   UNL     1       1.755   2.991  -0.208  1.00  0.00           C  
HETATM   16  C   UNL     1       3.038   2.499  -0.123  1.00  0.00           C  
HETATM   17  C   UNL     1       3.252   1.150   0.137  1.00  0.00           C  
HETATM   18  C   UNL     1       2.172   0.292   0.311  1.00  0.00           C  
HETATM   19  C   UNL     1       0.886   0.776   0.233  1.00  0.00           C  
HETATM   20  O   UNL     1       4.518   0.670   0.220  1.00  0.00           O  
HETATM   21  C   UNL     1       4.666  -0.726   0.490  1.00  0.00           C  
HETATM   22  C   UNL     1       6.154  -1.079   0.547  1.00  0.00           C  
HETATM   23  N   UNL     1       6.774  -0.912  -0.785  1.00  0.00           N  
HETATM   24  C   UNL     1       7.771  -1.981  -0.976  1.00  0.00           C  
HETATM   25  C   UNL     1       7.744  -2.863   0.290  1.00  0.00           C  
HETATM   26  C   UNL     1       6.339  -2.580   0.883  1.00  0.00           C  
HETATM   27  H   UNL     1      -3.149   3.074   0.954  1.00  0.00           H  
HETATM   28  H   UNL     1      -5.045   1.529   0.973  1.00  0.00           H  
HETATM   29  H   UNL     1      -6.556   0.285   0.981  1.00  0.00           H  
HETATM   30  H   UNL     1      -6.395  -3.912  -0.912  1.00  0.00           H  
HETATM   31  H   UNL     1      -4.222  -2.613  -1.153  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.709  -1.372  -1.153  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.813   0.173  -1.182  1.00  0.00           H  
HETATM   34  H   UNL     1       1.590   4.039  -0.410  1.00  0.00           H  
HETATM   35  H   UNL     1       3.879   3.162  -0.258  1.00  0.00           H  
HETATM   36  H   UNL     1       2.342  -0.756   0.512  1.00  0.00           H  
HETATM   37  H   UNL     1       0.047   0.110   0.374  1.00  0.00           H  
HETATM   38  H   UNL     1       4.199  -0.963   1.446  1.00  0.00           H  
HETATM   39  H   UNL     1       4.186  -1.301  -0.302  1.00  0.00           H  
HETATM   40  H   UNL     1       6.662  -0.458   1.284  1.00  0.00           H  
HETATM   41  H   UNL     1       6.077  -0.932  -1.514  1.00  0.00           H  
HETATM   42  H   UNL     1       7.510  -2.579  -1.850  1.00  0.00           H  
HETATM   43  H   UNL     1       8.762  -1.546  -1.104  1.00  0.00           H  
HETATM   44  H   UNL     1       7.846  -3.916   0.028  1.00  0.00           H  
HETATM   45  H   UNL     1       8.527  -2.562   0.986  1.00  0.00           H  
HETATM   46  H   UNL     1       6.330  -2.742   1.961  1.00  0.00           H  
HETATM   47  H   UNL     1       5.578  -3.187   0.393  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1   14    3                                       
CONECT    3    2   13   13    4                                       
CONECT    4    3    5    5   27                                       
CONECT    5    4    4    6   28                                       
CONECT    6    5   12   12    7                                       
CONECT    7    6   11    8    8                                       
CONECT    8    7    7    9   29                                       
CONECT    9    8   10                                                 
CONECT   10    9   11   11   30                                       
CONECT   11    7   10   10   31                                       
CONECT   12    6    6   13   32                                       
CONECT   13    3    3   12   33                                       
CONECT   14    2   15   15   19                                       
CONECT   15   14   14   16   34                                       
CONECT   16   15   17   17   35                                       
CONECT   17   16   16   20   18                                       
CONECT   18   17   19   19   36                                       
CONECT   19   14   18   18   37                                       
CONECT   20   17   21                                                 
CONECT   21   20   22   38   39                                       
CONECT   22   21   23   26   40                                       
CONECT   23   22   24   41                                            
CONECT   24   23   25   42   43                                       
CONECT   25   24   26   44   45                                       
CONECT   26   22   25   46   47                                       
CONECT   27    4                                                      
CONECT   28    5                                                      
CONECT   29    8                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   12                                                      
CONECT   33   13                                                      
CONECT   34   15                                                      
CONECT   35   16                                                      
CONECT   36   18                                                      
CONECT   37   19                                                      
CONECT   38   21                                                      
CONECT   39   21                                                      
CONECT   40   22                                                      
CONECT   41   23                                                      
CONECT   42   24                                                      
CONECT   43   24                                                      
CONECT   44   25                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   26                                                      
MASTER        0    0    0    0    0    0    0    0   47    0   47    0
END
