COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1      -4.416   2.226  -0.645  1.00  0.00           C  
HETATM    2  O   UNL     1      -5.402   5.299   0.430  1.00  0.00           O  
HETATM    3  C   UNL     1      -5.127   4.696  -0.841  1.00  0.00           C  
HETATM    4  C   UNL     1      -3.057  -2.887  -0.504  1.00  0.00           C  
HETATM    5  C   UNL     1      10.135   0.517  -0.409  1.00  0.00           C  
HETATM    6  C   UNL     1       8.705   0.214  -0.240  1.00  0.00           C  
HETATM    7  C   UNL     1       7.564  -0.028  -0.105  1.00  0.00           C  
HETATM    8  C   UNL     1       6.226  -0.311   0.052  1.00  0.00           C  
HETATM    9  C   UNL     1       5.085  -0.553   0.187  1.00  0.00           C  
HETATM   10  C   UNL     1       2.760  -0.356  -0.568  1.00  0.00           C  
HETATM   11  C   UNL     1       3.693  -0.848   0.351  1.00  0.00           C  
HETATM   12  C   UNL     1      -3.227  -0.405  -2.050  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.586  -0.465  -0.564  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.072  -0.794  -0.411  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.750  -1.550   0.119  1.00  0.00           C  
HETATM   16  C   UNL     1      -0.428  -1.722   0.837  1.00  0.00           C  
HETATM   17  C   UNL     1       1.006  -1.417   0.668  1.00  0.00           C  
HETATM   18  C   UNL     1       1.938  -1.909   1.588  1.00  0.00           C  
HETATM   19  C   UNL     1       3.265  -1.628   1.432  1.00  0.00           C  
HETATM   20  C   UNL     1       1.433  -0.638  -0.411  1.00  0.00           C  
HETATM   21  C   UNL     1      10.343   2.033  -0.371  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.268   3.654  -0.114  1.00  0.00           C  
HETATM   23  C   UNL     1      -5.222   4.010   1.032  1.00  0.00           C  
HETATM   24  N   UNL     1      -1.326  -1.248  -0.049  1.00  0.00           N  
HETATM   25  N   UNL     1      -4.088  -3.624  -0.045  1.00  0.00           N  
HETATM   26  O   UNL     1      -0.799  -2.400   1.776  1.00  0.00           O  
HETATM   27  O   UNL     1      11.732   2.327  -0.535  1.00  0.00           O  
HETATM   28  O   UNL     1      -2.376  -3.300  -1.419  1.00  0.00           O  
HETATM   29  O   UNL     1      -4.443  -4.829  -0.699  1.00  0.00           O  
HETATM   30  O   UNL     1      -1.921   1.536  -0.145  1.00  0.00           O  
HETATM   31  O   UNL     1      -3.600   1.070   1.580  1.00  0.00           O  
HETATM   32  S   UNL     1      -3.239   1.140   0.207  1.00  0.00           S  
HETATM   33  H   UNL     1      -5.432   1.875  -0.463  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.213   2.214  -1.715  1.00  0.00           H  
HETATM   35  H   UNL     1      -6.010   4.272  -1.320  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.554   5.339  -1.510  1.00  0.00           H  
HETATM   37  H   UNL     1      10.703   0.052   0.397  1.00  0.00           H  
HETATM   38  H   UNL     1      10.479   0.127  -1.367  1.00  0.00           H  
HETATM   39  H   UNL     1       3.088   0.250  -1.400  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.435  -1.370  -2.513  1.00  0.00           H  
HETATM   41  H   UNL     1      -3.822   0.368  -2.536  1.00  0.00           H  
HETATM   42  H   UNL     1      -2.168  -0.171  -2.159  1.00  0.00           H  
HETATM   43  H   UNL     1      -5.328  -0.837   0.648  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.667  -0.022  -0.898  1.00  0.00           H  
HETATM   45  H   UNL     1      -5.280  -1.759  -0.874  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.992  -1.580   1.182  1.00  0.00           H  
HETATM   47  H   UNL     1       1.608  -2.511   2.421  1.00  0.00           H  
HETATM   48  H   UNL     1       3.985  -2.009   2.142  1.00  0.00           H  
HETATM   49  H   UNL     1       0.712  -0.258  -1.121  1.00  0.00           H  
HETATM   50  H   UNL     1       9.776   2.497  -1.177  1.00  0.00           H  
HETATM   51  H   UNL     1      10.000   2.423   0.587  1.00  0.00           H  
HETATM   52  H   UNL     1      -3.233   3.953   0.047  1.00  0.00           H  
HETATM   53  H   UNL     1      -4.733   4.052   2.005  1.00  0.00           H  
HETATM   54  H   UNL     1      -6.130   3.407   1.043  1.00  0.00           H  
HETATM   55  H   UNL     1      -1.030  -0.707  -0.797  1.00  0.00           H  
HETATM   56  H   UNL     1      11.938   3.272  -0.521  1.00  0.00           H  
HETATM   57  H   UNL     1      -4.586  -3.329   0.733  1.00  0.00           H  
HETATM   58  H   UNL     1      -5.194  -5.287  -0.298  1.00  0.00           H  
CONECT    1   22   32   33   34                                       
CONECT    2    3   23                                                 
CONECT    3    2   22   35   36                                       
CONECT    4   15   28   28   25                                       
CONECT    5   21    6   37   38                                       
CONECT    6    5    7    7    7                                       
CONECT    7    6    6    6    8                                       
CONECT    8    7    9    9    9                                       
CONECT    9    8    8    8   11                                       
CONECT   10   11   11   20   39                                       
CONECT   11    9   10   10   19                                       
CONECT   12   13   40   41   42                                       
CONECT   13   32   14   15   12                                       
CONECT   14   13   43   44   45                                       
CONECT   15   24   13    4   46                                       
CONECT   16   17   26   26   24                                       
CONECT   17   20   20   18   16                                       
CONECT   18   19   19   17   47                                       
CONECT   19   11   18   18   48                                       
CONECT   20   10   17   17   49                                       
CONECT   21   27    5   50   51                                       
CONECT   22    3   23    1   52                                       
CONECT   23    2   22   53   54                                       
CONECT   24   16   15   55                                            
CONECT   25    4   29   57                                            
CONECT   26   16   16                                                 
CONECT   27   21   56                                                 
CONECT   28    4    4                                                 
CONECT   29   25   58                                                 
CONECT   30   32   32                                                 
CONECT   31   32   32                                                 
CONECT   32    1   30   30   31                                       
CONECT   32   31   13                                                 
CONECT   33    1                                                      
CONECT   34    1                                                      
CONECT   35    3                                                      
CONECT   36    3                                                      
CONECT   37    5                                                      
CONECT   38    5                                                      
CONECT   39   10                                                      
CONECT   40   12                                                      
CONECT   41   12                                                      
CONECT   42   12                                                      
CONECT   43   14                                                      
CONECT   44   14                                                      
CONECT   45   14                                                      
CONECT   46   15                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   20                                                      
CONECT   50   21                                                      
CONECT   51   21                                                      
CONECT   52   22                                                      
CONECT   53   23                                                      
CONECT   54   23                                                      
CONECT   55   24                                                      
CONECT   56   27                                                      
CONECT   57   25                                                      
CONECT   58   29                                                      
MASTER        0    0    0    0    0    0    0    0   58    0   58    0
END
