COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -3.593  -2.145   0.513  1.00  0.00           C  
HETATM    2  O   UNL     1      -3.105  -1.574   1.459  1.00  0.00           O  
HETATM    3  N   UNL     1      -3.178   0.359  -0.419  1.00  0.00           N  
HETATM    4  C   UNL     1      -0.373  -2.579   0.026  1.00  0.00           C  
HETATM    5  O   UNL     1      -0.419  -3.728   0.425  1.00  0.00           O  
HETATM    6  N   UNL     1      -1.405  -1.901  -0.508  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.268   1.891  -0.449  1.00  0.00           C  
HETATM    8  S   UNL     1      -1.411   4.589  -0.022  1.00  0.00           S  
HETATM    9  C   UNL     1      -2.362   5.659   1.093  1.00  0.00           C  
HETATM   10  C   UNL     1      -1.988   2.927   0.418  1.00  0.00           C  
HETATM   11  O   UNL     1       6.397   1.372  -0.168  1.00  0.00           O  
HETATM   12  C   UNL     1       5.339   0.537   0.002  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.947  -0.553  -0.855  1.00  0.00           C  
HETATM   14  O   UNL     1      -1.093  -0.334  -2.260  1.00  0.00           O  
HETATM   15  N   UNL     1       0.469  -0.473  -0.479  1.00  0.00           N  
HETATM   16  C   UNL     1      -1.755   0.489  -0.079  1.00  0.00           C  
HETATM   17  C   UNL     1      -2.759  -2.424  -0.711  1.00  0.00           C  
HETATM   18  C   UNL     1       0.814  -1.718   0.060  1.00  0.00           C  
HETATM   19  C   UNL     1       2.033  -2.067   0.532  1.00  0.00           C  
HETATM   20  C   UNL     1       3.195  -0.259  -0.718  1.00  0.00           C  
HETATM   21  C   UNL     1       4.260  -1.212   1.236  1.00  0.00           C  
HETATM   22  C   UNL     1       4.271   0.584  -0.886  1.00  0.00           C  
HETATM   23  C   UNL     1       5.330  -0.364   1.059  1.00  0.00           C  
HETATM   24  C   UNL     1       3.179  -1.165   0.348  1.00  0.00           C  
HETATM   25  H   UNL     1      -3.740   0.993   0.129  1.00  0.00           H  
HETATM   26  H   UNL     1      -3.329   0.503  -1.406  1.00  0.00           H  
HETATM   27  O   UNL     1      -4.876  -2.537   0.554  1.00  0.00           O  
HETATM   28  H   UNL     1      -1.483   2.085  -1.500  1.00  0.00           H  
HETATM   29  H   UNL     1      -0.194   1.960  -0.280  1.00  0.00           H  
HETATM   30  H   UNL     1      -3.427   5.522   0.907  1.00  0.00           H  
HETATM   31  H   UNL     1      -2.137   5.397   2.127  1.00  0.00           H  
HETATM   32  H   UNL     1      -2.092   6.700   0.915  1.00  0.00           H  
HETATM   33  H   UNL     1      -3.062   2.858   0.248  1.00  0.00           H  
HETATM   34  H   UNL     1      -1.773   2.733   1.469  1.00  0.00           H  
HETATM   35  H   UNL     1       6.307   2.218   0.291  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.597  -0.958  -2.809  1.00  0.00           H  
HETATM   37  H   UNL     1       1.054   0.294  -0.584  1.00  0.00           H  
HETATM   38  H   UNL     1      -1.621   0.329   0.991  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.711  -3.500  -0.881  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.210  -1.939  -1.576  1.00  0.00           H  
HETATM   41  H   UNL     1       2.164  -3.009   1.045  1.00  0.00           H  
HETATM   42  H   UNL     1       2.365  -0.221  -1.409  1.00  0.00           H  
HETATM   43  H   UNL     1       4.254  -1.913   2.058  1.00  0.00           H  
HETATM   44  H   UNL     1       4.284   1.284  -1.709  1.00  0.00           H  
HETATM   45  H   UNL     1       6.165  -0.400   1.744  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.370  -2.339   1.362  1.00  0.00           H  
CONECT    1    2    2   17   27                                       
CONECT    2    1    1                                                 
CONECT    3   16   25   26                                            
CONECT    4   18    6    5    5                                       
CONECT    5    4    4                                                 
CONECT    6    4   13   17                                            
CONECT    7   10   16   28   29                                       
CONECT    8    9   10                                                 
CONECT    9    8   30   31   32                                       
CONECT   10    7    8   33   34                                       
CONECT   11   12   35                                                 
CONECT   12   11   22   23   23                                       
CONECT   13    6   14   16   15                                       
CONECT   14   13   36                                                 
CONECT   15   13   18   37                                            
CONECT   16    3   13    7   38                                       
CONECT   17    1    6   39   40                                       
CONECT   18    4   15   19   19                                       
CONECT   19   18   18   24   41                                       
CONECT   20   22   22   24   42                                       
CONECT   21   23   24   24   43                                       
CONECT   22   12   20   20   44                                       
CONECT   23   21   12   12   45                                       
CONECT   24   19   21   21   20                                       
CONECT   25    3                                                      
CONECT   26    3                                                      
CONECT   27    1   46                                                 
CONECT   28    7                                                      
CONECT   29    7                                                      
CONECT   30    9                                                      
CONECT   31    9                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   14                                                      
CONECT   37   15                                                      
CONECT   38   16                                                      
CONECT   39   17                                                      
CONECT   40   17                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   23                                                      
CONECT   46   27                                                      
MASTER        0    0    0    0    0    0    0    0   46    0   46    0
END
