COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -7.959  -0.764   0.519  1.00  0.00           O  
HETATM    2  C   UNL     1      -6.837  -1.176   0.311  1.00  0.00           C  
HETATM    3  C   UNL     1      -5.709  -0.243   0.277  1.00  0.00           C  
HETATM    4  S   UNL     1      -5.821   1.496   0.526  1.00  0.00           S  
HETATM    5  C   UNL     1      -4.131   1.651   0.308  1.00  0.00           C  
HETATM    6  N   UNL     1      -4.464  -0.572   0.063  1.00  0.00           N  
HETATM    7  C   UNL     1      -3.599   0.415   0.068  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.149   0.204  -0.165  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.673  -1.072  -0.404  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.276   1.302  -0.148  1.00  0.00           C  
HETATM   11  C   UNL     1       0.057   1.132  -0.360  1.00  0.00           C  
HETATM   12  C   UNL     1       0.570  -0.152  -0.599  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.301  -1.268  -0.624  1.00  0.00           C  
HETATM   14  N   UNL     1       0.189  -2.493  -0.858  1.00  0.00           N  
HETATM   15  C   UNL     1       1.469  -2.695  -1.066  1.00  0.00           C  
HETATM   16  C   UNL     1       2.386  -1.654  -1.057  1.00  0.00           C  
HETATM   17  C   UNL     1       1.952  -0.358  -0.822  1.00  0.00           C  
HETATM   18  N   UNL     1       2.844   0.704  -0.812  1.00  0.00           N  
HETATM   19  C   UNL     1       4.077   0.575  -0.167  1.00  0.00           C  
HETATM   20  C   UNL     1       5.018   1.594  -0.254  1.00  0.00           C  
HETATM   21  C   UNL     1       4.709   2.839  -1.046  1.00  0.00           C  
HETATM   22  C   UNL     1       4.360  -0.568   0.568  1.00  0.00           C  
HETATM   23  C   UNL     1       5.584  -0.692   1.207  1.00  0.00           C  
HETATM   24  O   UNL     1       5.865  -1.810   1.926  1.00  0.00           O  
HETATM   25  C   UNL     1       6.522   0.327   1.111  1.00  0.00           C  
HETATM   26  C   UNL     1       6.236   1.466   0.384  1.00  0.00           C  
HETATM   27  H   UNL     1      -6.669  -2.232   0.156  1.00  0.00           H  
HETATM   28  H   UNL     1      -3.575   2.576   0.354  1.00  0.00           H  
HETATM   29  H   UNL     1      -2.351  -1.912  -0.419  1.00  0.00           H  
HETATM   30  H   UNL     1      -1.665   2.292   0.035  1.00  0.00           H  
HETATM   31  H   UNL     1       0.720   1.984  -0.345  1.00  0.00           H  
HETATM   32  H   UNL     1       1.818  -3.701  -1.250  1.00  0.00           H  
HETATM   33  H   UNL     1       3.433  -1.852  -1.233  1.00  0.00           H  
HETATM   34  H   UNL     1       2.613   1.536  -1.254  1.00  0.00           H  
HETATM   35  H   UNL     1       4.239   3.576  -0.394  1.00  0.00           H  
HETATM   36  H   UNL     1       5.633   3.249  -1.452  1.00  0.00           H  
HETATM   37  H   UNL     1       4.031   2.591  -1.862  1.00  0.00           H  
HETATM   38  H   UNL     1       3.629  -1.359   0.642  1.00  0.00           H  
HETATM   39  H   UNL     1       6.285  -2.513   1.412  1.00  0.00           H  
HETATM   40  H   UNL     1       7.476   0.230   1.609  1.00  0.00           H  
HETATM   41  H   UNL     1       6.966   2.259   0.315  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    3   27                                       
CONECT    3    4    2    6    6                                       
CONECT    4    3    5                                                 
CONECT    5    4    7    7   28                                       
CONECT    6    3    3    7                                            
CONECT    7    5    5    6    8                                       
CONECT    8    7   10   10    9                                       
CONECT    9    8   13   13   29                                       
CONECT   10    8    8   11   30                                       
CONECT   11   10   12   12   31                                       
CONECT   12   11   11   13   17                                       
CONECT   13    9    9   12   14                                       
CONECT   14   13   15   15                                            
CONECT   15   14   14   16   32                                       
CONECT   16   17   17   15   33                                       
CONECT   17   12   18   16   16                                       
CONECT   18   17   19   34                                            
CONECT   19   18   20   20   22                                       
CONECT   20   21   19   19   26                                       
CONECT   21   20   35   36   37                                       
CONECT   22   19   23   23   38                                       
CONECT   23   22   22   25   24                                       
CONECT   24   23   39                                                 
CONECT   25   26   26   23   40                                       
CONECT   26   20   25   25   41                                       
CONECT   27    2                                                      
CONECT   28    5                                                      
CONECT   29    9                                                      
CONECT   30   10                                                      
CONECT   31   11                                                      
CONECT   32   15                                                      
CONECT   33   16                                                      
CONECT   34   18                                                      
CONECT   35   21                                                      
CONECT   36   21                                                      
CONECT   37   21                                                      
CONECT   38   22                                                      
CONECT   39   24                                                      
CONECT   40   25                                                      
CONECT   41   26                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
