COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.057   0.576  -0.622  1.00  0.00           C  
HETATM    2  C   UNL     1       6.967  -0.449  -0.627  1.00  0.00           C  
HETATM    3  C   UNL     1       6.675  -1.646   0.023  1.00  0.00           C  
HETATM    4  N   UNL     1       7.600  -2.683   0.017  1.00  0.00           N  
HETATM    5  C   UNL     1       5.457  -1.806   0.680  1.00  0.00           C  
HETATM    6  C   UNL     1       4.542  -0.785   0.689  1.00  0.00           C  
HETATM    7  C   UNL     1       4.832   0.418   0.037  1.00  0.00           C  
HETATM    8  C   UNL     1       3.853   1.520   0.049  1.00  0.00           C  
HETATM    9  O   UNL     1       4.237   2.674   0.078  1.00  0.00           O  
HETATM   10  C   UNL     1       2.407   1.223   0.027  1.00  0.00           C  
HETATM   11  C   UNL     1       1.479   2.254   0.197  1.00  0.00           C  
HETATM   12  C   UNL     1       0.131   1.976   0.176  1.00  0.00           C  
HETATM   13  C   UNL     1       1.965  -0.088  -0.171  1.00  0.00           C  
HETATM   14  C   UNL     1       0.617  -0.363  -0.192  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.308   0.666  -0.016  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.761   0.368  -0.038  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.204  -0.941  -0.230  1.00  0.00           C  
HETATM   18  C   UNL     1      -3.556  -1.212  -0.250  1.00  0.00           C  
HETATM   19  C   UNL     1      -4.472  -0.189  -0.081  1.00  0.00           C  
HETATM   20  O   UNL     1      -6.851   0.667  -0.465  1.00  0.00           O  
HETATM   21  O   UNL     1      -6.348  -1.753  -0.840  1.00  0.00           O  
HETATM   22  C   UNL     1      -4.039   1.111   0.109  1.00  0.00           C  
HETATM   23  C   UNL     1      -2.688   1.393   0.137  1.00  0.00           C  
HETATM   24  S   UNL     1      -6.198  -0.544  -0.108  1.00  0.00           S  
HETATM   25  N   UNL     1      -6.654  -0.879   1.448  1.00  0.00           N  
HETATM   26  H   UNL     1       6.286   1.505  -1.122  1.00  0.00           H  
HETATM   27  H   UNL     1       7.912  -0.329  -1.135  1.00  0.00           H  
HETATM   28  H   UNL     1       7.398  -3.516   0.470  1.00  0.00           H  
HETATM   29  H   UNL     1       8.449  -2.572  -0.440  1.00  0.00           H  
HETATM   30  H   UNL     1       5.233  -2.735   1.183  1.00  0.00           H  
HETATM   31  H   UNL     1       3.598  -0.909   1.199  1.00  0.00           H  
HETATM   32  H   UNL     1       1.819   3.269   0.346  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.587   2.772   0.308  1.00  0.00           H  
HETATM   34  H   UNL     1       2.682  -0.885  -0.308  1.00  0.00           H  
HETATM   35  H   UNL     1       0.276  -1.376  -0.345  1.00  0.00           H  
HETATM   36  H   UNL     1      -1.489  -1.740  -0.362  1.00  0.00           H  
HETATM   37  H   UNL     1      -3.901  -2.225  -0.399  1.00  0.00           H  
HETATM   38  H   UNL     1      -4.759   1.905   0.240  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.351   2.408   0.290  1.00  0.00           H  
HETATM   40  H   UNL     1      -7.556  -0.679   1.744  1.00  0.00           H  
HETATM   41  H   UNL     1      -6.019  -1.277   2.065  1.00  0.00           H  
CONECT    1    2    2    7   26                                       
CONECT    2    3    1    1   27                                       
CONECT    3    4    5    5    2                                       
CONECT    4    3   28   29                                            
CONECT    5    3    3    6   30                                       
CONECT    6    5    7    7   31                                       
CONECT    7    6    6    1    8                                       
CONECT    8    7    9    9   10                                       
CONECT    9    8    8                                                 
CONECT   10    8   11   11   13                                       
CONECT   11   10   10   12   32                                       
CONECT   12   11   15   15   33                                       
CONECT   13   10   14   14   34                                       
CONECT   14   13   13   15   35                                       
CONECT   15   12   12   14   16                                       
CONECT   16   15   17   17   23                                       
CONECT   17   16   16   18   36                                       
CONECT   18   17   19   19   37                                       
CONECT   19   18   18   22   24                                       
CONECT   20   24   24                                                 
CONECT   21   24   24                                                 
CONECT   22   23   23   19   38                                       
CONECT   23   16   22   22   39                                       
CONECT   24   19   20   20   25                                       
CONECT   24   21   21                                                 
CONECT   25   24   40   41                                            
CONECT   26    1                                                      
CONECT   27    2                                                      
CONECT   28    4                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32   11                                                      
CONECT   33   12                                                      
CONECT   34   13                                                      
CONECT   35   14                                                      
CONECT   36   17                                                      
CONECT   37   18                                                      
CONECT   38   22                                                      
CONECT   39   23                                                      
CONECT   40   25                                                      
CONECT   41   25                                                      
MASTER        0    0    0    0    0    0    0    0   41    0   41    0
END
