COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       3.247  -2.999  -1.136  1.00  0.00           C  
HETATM    2  S   UNL     1       1.486  -2.573  -0.941  1.00  0.00           S  
HETATM    3  C   UNL     1       1.751  -0.841  -0.704  1.00  0.00           C  
HETATM    4  N   UNL     1       3.006  -0.578  -0.758  1.00  0.00           N  
HETATM    5  C   UNL     1       3.956  -1.644  -0.988  1.00  0.00           C  
HETATM    6  C   UNL     1       4.927  -1.712   0.193  1.00  0.00           C  
HETATM    7  N   UNL     1       5.408  -0.361   0.511  1.00  0.00           N  
HETATM    8  C   UNL     1       6.337   0.123  -0.518  1.00  0.00           C  
HETATM    9  C   UNL     1       6.702   1.581  -0.233  1.00  0.00           C  
HETATM   10  C   UNL     1       7.349   1.679   1.152  1.00  0.00           C  
HETATM   11  C   UNL     1       6.379   1.124   2.199  1.00  0.00           C  
HETATM   12  C   UNL     1       6.023  -0.321   1.843  1.00  0.00           C  
HETATM   13  N   UNL     1       0.754   0.091  -0.492  1.00  0.00           N  
HETATM   14  N   UNL     1      -3.879   1.187   0.166  1.00  0.00           N  
HETATM   15  C   UNL     1      -3.574   2.471   0.187  1.00  0.00           C  
HETATM   16  C   UNL     1      -2.262   2.882  -0.002  1.00  0.00           C  
HETATM   17  N   UNL     1      -1.308   1.996  -0.203  1.00  0.00           N  
HETATM   18  C   UNL     1      -1.601   0.698  -0.228  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.929   0.281  -0.037  1.00  0.00           C  
HETATM   20  N   UNL     1      -3.244  -1.066  -0.060  1.00  0.00           N  
HETATM   21  C   UNL     1      -4.532  -1.488   0.287  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.756  -2.775   0.768  1.00  0.00           C  
HETATM   23  N   UNL     1      -5.988  -3.136   1.085  1.00  0.00           N  
HETATM   24  C   UNL     1      -6.995  -2.296   0.951  1.00  0.00           C  
HETATM   25  N   UNL     1      -6.824  -1.069   0.499  1.00  0.00           N  
HETATM   26  C   UNL     1      -5.622  -0.630   0.165  1.00  0.00           C  
HETATM   27  C   UNL     1      -1.926   4.351   0.024  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.097   5.138  -1.277  1.00  0.00           C  
HETATM   29  C   UNL     1      -3.082   5.343  -0.124  1.00  0.00           C  
HETATM   30  C   UNL     1      -0.535  -0.299  -0.454  1.00  0.00           C  
HETATM   31  O   UNL     1      -0.821  -1.470  -0.606  1.00  0.00           O  
HETATM   32  H   UNL     1       3.565  -3.687  -0.353  1.00  0.00           H  
HETATM   33  H   UNL     1       3.433  -3.425  -2.122  1.00  0.00           H  
HETATM   34  H   UNL     1       4.517  -1.433  -1.898  1.00  0.00           H  
HETATM   35  H   UNL     1       4.416  -2.129   1.060  1.00  0.00           H  
HETATM   36  H   UNL     1       5.774  -2.347  -0.069  1.00  0.00           H  
HETATM   37  H   UNL     1       7.240  -0.487  -0.507  1.00  0.00           H  
HETATM   38  H   UNL     1       5.863   0.052  -1.498  1.00  0.00           H  
HETATM   39  H   UNL     1       7.404   1.935  -0.988  1.00  0.00           H  
HETATM   40  H   UNL     1       5.801   2.194  -0.257  1.00  0.00           H  
HETATM   41  H   UNL     1       8.271   1.097   1.165  1.00  0.00           H  
HETATM   42  H   UNL     1       7.571   2.721   1.377  1.00  0.00           H  
HETATM   43  H   UNL     1       6.851   1.151   3.182  1.00  0.00           H  
HETATM   44  H   UNL     1       5.473   1.729   2.213  1.00  0.00           H  
HETATM   45  H   UNL     1       5.322  -0.715   2.579  1.00  0.00           H  
HETATM   46  H   UNL     1       6.929  -0.929   1.843  1.00  0.00           H  
HETATM   47  H   UNL     1       0.983   1.026  -0.371  1.00  0.00           H  
HETATM   48  H   UNL     1      -4.349   3.205   0.352  1.00  0.00           H  
HETATM   49  H   UNL     1      -2.573  -1.717  -0.316  1.00  0.00           H  
HETATM   50  H   UNL     1      -3.936  -3.469   0.881  1.00  0.00           H  
HETATM   51  H   UNL     1      -7.989  -2.622   1.219  1.00  0.00           H  
HETATM   52  H   UNL     1      -5.489   0.377  -0.200  1.00  0.00           H  
HETATM   53  H   UNL     1      -1.101   4.634   0.678  1.00  0.00           H  
HETATM   54  H   UNL     1      -1.384   5.938  -1.479  1.00  0.00           H  
HETATM   55  H   UNL     1      -2.452   4.593  -2.152  1.00  0.00           H  
HETATM   56  H   UNL     1      -4.085   4.933  -0.240  1.00  0.00           H  
HETATM   57  H   UNL     1      -3.017   6.278   0.433  1.00  0.00           H  
CONECT    1    2    5   32   33                                       
CONECT    2    1    3                                                 
CONECT    3    2    4    4   13                                       
CONECT    4    3    3    5                                            
CONECT    5    1    4    6   34                                       
CONECT    6    5    7   35   36                                       
CONECT    7    6    8   12                                            
CONECT    8    7    9   37   38                                       
CONECT    9    8   10   39   40                                       
CONECT   10    9   11   41   42                                       
CONECT   11   10   12   43   44                                       
CONECT   12    7   11   45   46                                       
CONECT   13    3   30   47                                            
CONECT   14   15   15   19                                            
CONECT   15   14   14   16   48                                       
CONECT   16   15   17   17   27                                       
CONECT   17   16   16   18                                            
CONECT   18   17   19   19   30                                       
CONECT   19   14   18   18   20                                       
CONECT   20   19   21   49                                            
CONECT   21   20   22   22   26                                       
CONECT   22   21   21   23   50                                       
CONECT   23   22   24   24                                            
CONECT   24   23   23   25   51                                       
CONECT   25   24   26   26                                            
CONECT   26   21   25   25   52                                       
CONECT   27   16   28   29   53                                       
CONECT   28   27   29   54   55                                       
CONECT   29   27   28   56   57                                       
CONECT   30   13   18   31   31                                       
CONECT   31   30   30                                                 
CONECT   32    1                                                      
CONECT   33    1                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39    9                                                      
CONECT   40    9                                                      
CONECT   41   10                                                      
CONECT   42   10                                                      
CONECT   43   11                                                      
CONECT   44   11                                                      
CONECT   45   12                                                      
CONECT   46   12                                                      
CONECT   47   13                                                      
CONECT   48   15                                                      
CONECT   49   20                                                      
CONECT   50   22                                                      
CONECT   51   24                                                      
CONECT   52   26                                                      
CONECT   53   27                                                      
CONECT   54   28                                                      
CONECT   55   28                                                      
CONECT   56   29                                                      
CONECT   57   29                                                      
MASTER        0    0    0    0    0    0    0    0   57    0   57    0
END
