COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1      -6.057   0.924  -0.967  1.00  0.00           O  
HETATM    2  C   UNL     1      -4.851   0.824  -0.386  1.00  0.00           C  
HETATM    3  O   UNL     1      -4.723   1.083   0.787  1.00  0.00           O  
HETATM    4  C   UNL     1      -3.658   0.389  -1.197  1.00  0.00           C  
HETATM    5  C   UNL     1      -3.910  -1.020  -1.727  1.00  0.00           C  
HETATM    6  S   UNL     1      -2.543  -2.004  -1.045  1.00  0.00           S  
HETATM    7  C   UNL     1      -1.764  -0.674  -0.175  1.00  0.00           C  
HETATM    8  C   UNL     1      -0.617  -0.702   0.601  1.00  0.00           C  
HETATM    9  C   UNL     1       0.133  -1.996   0.784  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.689  -3.254   1.073  1.00  0.00           C  
HETATM   11  C   UNL     1       0.147  -2.614   2.183  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.153   0.457   1.213  1.00  0.00           C  
HETATM   13  C   UNL     1       1.094   0.438   2.058  1.00  0.00           C  
HETATM   14  C   UNL     1       2.302   0.621   1.176  1.00  0.00           C  
HETATM   15  C   UNL     1       2.714   1.903   0.815  1.00  0.00           C  
HETATM   16  N   UNL     1       3.759   2.102   0.049  1.00  0.00           N  
HETATM   17  C   UNL     1       4.480   1.079  -0.421  1.00  0.00           C  
HETATM   18  C   UNL     1       5.597   1.298  -1.246  1.00  0.00           C  
HETATM   19  C   UNL     1       6.309   0.236  -1.715  1.00  0.00           C  
HETATM   20  C   UNL     1       5.949  -1.070  -1.391  1.00  0.00           C  
HETATM   21  C   UNL     1       4.873  -1.321  -0.595  1.00  0.00           C  
HETATM   22  C   UNL     1       4.116  -0.251  -0.093  1.00  0.00           C  
HETATM   23  C   UNL     1       2.997  -0.468   0.734  1.00  0.00           C  
HETATM   24  C   UNL     1      -0.862   1.626   1.026  1.00  0.00           C  
HETATM   25  C   UNL     1      -2.010   1.617   0.241  1.00  0.00           C  
HETATM   26  O   UNL     1      -2.630   2.657   0.082  1.00  0.00           O  
HETATM   27  N   UNL     1      -2.462   0.475  -0.359  1.00  0.00           N  
HETATM   28  H   UNL     1      -6.792   1.207  -0.407  1.00  0.00           H  
HETATM   29  H   UNL     1      -3.541   1.068  -2.042  1.00  0.00           H  
HETATM   30  H   UNL     1      -4.867  -1.397  -1.369  1.00  0.00           H  
HETATM   31  H   UNL     1      -3.881  -1.028  -2.817  1.00  0.00           H  
HETATM   32  H   UNL     1       1.030  -2.110   0.174  1.00  0.00           H  
HETATM   33  H   UNL     1      -1.772  -3.145   1.132  1.00  0.00           H  
HETATM   34  H   UNL     1      -0.333  -4.195   0.654  1.00  0.00           H  
HETATM   35  H   UNL     1       1.053  -3.134   2.495  1.00  0.00           H  
HETATM   36  H   UNL     1      -0.386  -2.083   2.973  1.00  0.00           H  
HETATM   37  H   UNL     1       1.051   1.246   2.788  1.00  0.00           H  
HETATM   38  H   UNL     1       1.166  -0.518   2.578  1.00  0.00           H  
HETATM   39  H   UNL     1       2.157   2.755   1.176  1.00  0.00           H  
HETATM   40  H   UNL     1       5.889   2.304  -1.508  1.00  0.00           H  
HETATM   41  H   UNL     1       7.166   0.410  -2.348  1.00  0.00           H  
HETATM   42  H   UNL     1       6.531  -1.894  -1.776  1.00  0.00           H  
HETATM   43  H   UNL     1       4.604  -2.338  -0.351  1.00  0.00           H  
HETATM   44  H   UNL     1       2.693  -1.468   1.004  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.528   2.543   1.488  1.00  0.00           H  
CONECT    1    2   28                                                 
CONECT    2    3    3    4    1                                       
CONECT    3    2    2                                                 
CONECT    4   27    2    5   29                                       
CONECT    5    6    4   30   31                                       
CONECT    6    7    5                                                 
CONECT    7    8    8   27    6                                       
CONECT    8   12    9    7    7                                       
CONECT    9   11    8   10   32                                       
CONECT   10    9   11   33   34                                       
CONECT   11    9   10   35   36                                       
CONECT   12   13   24   24    8                                       
CONECT   13   14   12   37   38                                       
CONECT   14   23   23   15   13                                       
CONECT   15   16   16   14   39                                       
CONECT   16   17   15   15                                            
CONECT   17   18   18   22   16                                       
CONECT   18   19   17   17   40                                       
CONECT   19   20   20   18   41                                       
CONECT   20   19   19   21   42                                       
CONECT   21   20   22   22   43                                       
CONECT   22   21   21   17   23                                       
CONECT   23   22   14   14   44                                       
CONECT   24   12   12   25   45                                       
CONECT   25   24   26   26   27                                       
CONECT   26   25   25                                                 
CONECT   27   25    7    4                                            
CONECT   28    1                                                      
CONECT   29    4                                                      
CONECT   30    5                                                      
CONECT   31    5                                                      
CONECT   32    9                                                      
CONECT   33   10                                                      
CONECT   34   10                                                      
CONECT   35   11                                                      
CONECT   36   11                                                      
CONECT   37   13                                                      
CONECT   38   13                                                      
CONECT   39   15                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   20                                                      
CONECT   43   21                                                      
CONECT   44   23                                                      
CONECT   45   24                                                      
MASTER        0    0    0    0    0    0    0    0   45    0   45    0
END
