COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.164  -3.786  -0.311  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.092  -2.513  -1.006  1.00  0.00           O  
HETATM    3  C   UNL     1      -2.568  -1.475  -0.328  1.00  0.00           C  
HETATM    4  O   UNL     1      -2.095  -1.648   0.778  1.00  0.00           O  
HETATM    5  C   UNL     1      -2.567  -0.125  -0.928  1.00  0.00           C  
HETATM    6  C   UNL     1      -2.984   0.056  -2.248  1.00  0.00           C  
HETATM    7  C   UNL     1      -2.981   1.319  -2.802  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.565   2.405  -2.053  1.00  0.00           C  
HETATM    9  C   UNL     1      -2.150   2.234  -0.744  1.00  0.00           C  
HETATM   10  C   UNL     1      -2.154   0.977  -0.176  1.00  0.00           C  
HETATM   11  S   UNL     1      -1.633   0.761   1.494  1.00  0.00           S  
HETATM   12  O   UNL     1      -1.170   2.030   1.936  1.00  0.00           O  
HETATM   13  O   UNL     1      -2.668   0.041   2.147  1.00  0.00           O  
HETATM   14  N   UNL     1      -0.312  -0.237   1.470  1.00  0.00           N  
HETATM   15  C   UNL     1       0.821   0.159   0.856  1.00  0.00           C  
HETATM   16  O   UNL     1       0.904   1.283   0.400  1.00  0.00           O  
HETATM   17  N   UNL     1       1.861  -0.691   0.747  1.00  0.00           N  
HETATM   18  C   UNL     1       3.063  -0.252   0.208  1.00  0.00           C  
HETATM   19  N   UNL     1       4.041  -1.124   0.013  1.00  0.00           N  
HETATM   20  C   UNL     1       5.198  -0.739  -0.500  1.00  0.00           C  
HETATM   21  C   UNL     1       6.305  -1.738  -0.719  1.00  0.00           C  
HETATM   22  C   UNL     1       5.380   0.594  -0.833  1.00  0.00           C  
HETATM   23  C   UNL     1       4.336   1.479  -0.616  1.00  0.00           C  
HETATM   24  N   UNL     1       3.203   1.027  -0.105  1.00  0.00           N  
HETATM   25  H   UNL     1      -2.156  -4.142  -0.100  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.708  -3.659   0.625  1.00  0.00           H  
HETATM   27  H   UNL     1      -3.683  -4.513  -0.937  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.308  -0.791  -2.834  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.303   1.460  -3.823  1.00  0.00           H  
HETATM   30  H   UNL     1      -2.564   3.392  -2.492  1.00  0.00           H  
HETATM   31  H   UNL     1      -1.827   3.086  -0.165  1.00  0.00           H  
HETATM   32  H   UNL     1      -0.353  -1.106   1.897  1.00  0.00           H  
HETATM   33  H   UNL     1       1.770  -1.609   1.046  1.00  0.00           H  
HETATM   34  H   UNL     1       6.215  -2.167  -1.717  1.00  0.00           H  
HETATM   35  H   UNL     1       7.269  -1.239  -0.622  1.00  0.00           H  
HETATM   36  H   UNL     1       6.231  -2.532   0.025  1.00  0.00           H  
HETATM   37  H   UNL     1       6.315   0.935  -1.253  1.00  0.00           H  
HETATM   38  H   UNL     1       4.445   2.525  -0.864  1.00  0.00           H  
CONECT    1    2   25   26   27                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4    5                                       
CONECT    4    3    3                                                 
CONECT    5    3    6    6   10                                       
CONECT    6    5    5    7   28                                       
CONECT    7    6    8    8   29                                       
CONECT    8    7    7    9   30                                       
CONECT    9    8   10   10   31                                       
CONECT   10    5    9    9   11                                       
CONECT   11   10   12   12   13                                       
CONECT   11   13   14                                                 
CONECT   12   11   11                                                 
CONECT   13   11   11                                                 
CONECT   14   11   15   32                                            
CONECT   15   14   16   16   17                                       
CONECT   16   15   15                                                 
CONECT   17   15   18   33                                            
CONECT   18   17   19   19   24                                       
CONECT   19   18   18   20                                            
CONECT   20   19   21   22   22                                       
CONECT   21   20   34   35   36                                       
CONECT   22   20   20   23   37                                       
CONECT   23   22   24   24   38                                       
CONECT   24   18   23   23                                            
CONECT   25    1                                                      
CONECT   26    1                                                      
CONECT   27    1                                                      
CONECT   28    6                                                      
CONECT   29    7                                                      
CONECT   30    8                                                      
CONECT   31    9                                                      
CONECT   32   14                                                      
CONECT   33   17                                                      
CONECT   34   21                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   22                                                      
CONECT   38   23                                                      
MASTER        0    0    0    0    0    0    0    0   38    0   38    0
END
