COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       2.930  -1.633  -1.279  1.00  0.00           C  
HETATM    2  C   UNL     1       3.759  -1.511   0.002  1.00  0.00           C  
HETATM    3  N   UNL     1      -0.632  -1.583  -0.365  1.00  0.00           N  
HETATM    4  C   UNL     1       5.451   0.145   1.742  1.00  0.00           C  
HETATM    5  N   UNL     1      -4.479  -5.714   0.263  1.00  0.00           N  
HETATM    6  C   UNL     1      -4.438  -4.579   0.280  1.00  0.00           C  
HETATM    7  C   UNL     1      -4.385  -3.108   0.302  1.00  0.00           C  
HETATM    8  C   UNL     1      -2.929  -2.649   0.199  1.00  0.00           C  
HETATM    9  N   UNL     1      -2.876  -1.181   0.221  1.00  0.00           N  
HETATM   10  C   UNL     1      -3.316  -0.658   1.521  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.607  -0.725  -0.094  1.00  0.00           C  
HETATM   12  C   UNL     1      -1.333   0.652  -0.131  1.00  0.00           C  
HETATM   13  C   UNL     1      -0.042   1.077  -0.451  1.00  0.00           C  
HETATM   14  C   UNL     1       0.081   2.475  -0.448  1.00  0.00           C  
HETATM   15  C   UNL     1      -1.019   3.149  -0.149  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.113   4.652  -0.089  1.00  0.00           C  
HETATM   17  C   UNL     1      -0.758   5.240  -1.456  1.00  0.00           C  
HETATM   18  C   UNL     1      -2.539   5.059   0.288  1.00  0.00           C  
HETATM   19  C   UNL     1      -0.137   5.182   0.964  1.00  0.00           C  
HETATM   20  S   UNL     1      -2.354   2.052   0.166  1.00  0.00           S  
HETATM   21  N   UNL     1       0.889   0.129  -0.713  1.00  0.00           N  
HETATM   22  C   UNL     1       0.587  -1.151  -0.667  1.00  0.00           C  
HETATM   23  N   UNL     1       1.577  -2.081  -0.943  1.00  0.00           N  
HETATM   24  C   UNL     1       1.269  -3.513  -0.899  1.00  0.00           C  
HETATM   25  C   UNL     1       5.173  -1.043  -0.349  1.00  0.00           C  
HETATM   26  N   UNL     1       5.969  -0.925   0.880  1.00  0.00           N  
HETATM   27  C   UNL     1       7.389  -0.710   0.569  1.00  0.00           C  
HETATM   28  H   UNL     1       2.879  -0.663  -1.773  1.00  0.00           H  
HETATM   29  H   UNL     1       3.397  -2.357  -1.946  1.00  0.00           H  
HETATM   30  H   UNL     1       3.292  -0.787   0.669  1.00  0.00           H  
HETATM   31  H   UNL     1       3.810  -2.481   0.496  1.00  0.00           H  
HETATM   32  H   UNL     1       4.418  -0.076   2.014  1.00  0.00           H  
HETATM   33  H   UNL     1       6.058   0.210   2.645  1.00  0.00           H  
HETATM   34  H   UNL     1       5.491   1.094   1.208  1.00  0.00           H  
HETATM   35  H   UNL     1      -4.952  -2.712  -0.540  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.816  -2.743   1.235  1.00  0.00           H  
HETATM   37  H   UNL     1      -2.362  -3.046   1.041  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.499  -3.014  -0.734  1.00  0.00           H  
HETATM   39  H   UNL     1      -2.666  -1.043   2.306  1.00  0.00           H  
HETATM   40  H   UNL     1      -3.267   0.431   1.510  1.00  0.00           H  
HETATM   41  H   UNL     1      -4.342  -0.974   1.711  1.00  0.00           H  
HETATM   42  H   UNL     1       1.014   2.970  -0.674  1.00  0.00           H  
HETATM   43  H   UNL     1      -1.454   4.862  -2.205  1.00  0.00           H  
HETATM   44  H   UNL     1      -0.826   6.327  -1.412  1.00  0.00           H  
HETATM   45  H   UNL     1       0.258   4.950  -1.723  1.00  0.00           H  
HETATM   46  H   UNL     1      -2.792   4.640   1.262  1.00  0.00           H  
HETATM   47  H   UNL     1      -2.607   6.146   0.331  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.234   4.681  -0.462  1.00  0.00           H  
HETATM   49  H   UNL     1       0.879   4.891   0.696  1.00  0.00           H  
HETATM   50  H   UNL     1      -0.205   6.269   1.008  1.00  0.00           H  
HETATM   51  H   UNL     1      -0.389   4.762   1.938  1.00  0.00           H  
HETATM   52  H   UNL     1       1.447  -3.892   0.108  1.00  0.00           H  
HETATM   53  H   UNL     1       0.223  -3.668  -1.165  1.00  0.00           H  
HETATM   54  H   UNL     1       1.907  -4.044  -1.605  1.00  0.00           H  
HETATM   55  H   UNL     1       5.640  -1.767  -1.017  1.00  0.00           H  
HETATM   56  H   UNL     1       5.122  -0.073  -0.844  1.00  0.00           H  
HETATM   57  H   UNL     1       7.955  -0.626   1.497  1.00  0.00           H  
HETATM   58  H   UNL     1       7.765  -1.552  -0.012  1.00  0.00           H  
HETATM   59  H   UNL     1       7.499   0.208  -0.008  1.00  0.00           H  
CONECT    1    2   23   28   29                                       
CONECT    2   25    1   30   31                                       
CONECT    3   11   11   22                                            
CONECT    4   26   32   33   34                                       
CONECT    5    6    6    6                                            
CONECT    6    5    5    5    7                                       
CONECT    7    8    6   35   36                                       
CONECT    8    7    9   37   38                                       
CONECT    9    8   10   11                                            
CONECT   10    9   39   40   41                                       
CONECT   11    9    3    3   12                                       
CONECT   12   11   20   13   13                                       
CONECT   13   12   12   21   14                                       
CONECT   14   13   15   15   42                                       
CONECT   15   20   16   14   14                                       
CONECT   16   19   15   17   18                                       
CONECT   17   16   43   44   45                                       
CONECT   18   16   46   47   48                                       
CONECT   19   16   49   50   51                                       
CONECT   20   12   15                                                 
CONECT   21   22   22   13                                            
CONECT   22    3   23   21   21                                       
CONECT   23    1   22   24                                            
CONECT   24   23   52   53   54                                       
CONECT   25   26    2   55   56                                       
CONECT   26    4   27   25                                            
CONECT   27   26   57   58   59                                       
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    2                                                      
CONECT   31    2                                                      
CONECT   32    4                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    7                                                      
CONECT   36    7                                                      
CONECT   37    8                                                      
CONECT   38    8                                                      
CONECT   39   10                                                      
CONECT   40   10                                                      
CONECT   41   10                                                      
CONECT   42   14                                                      
CONECT   43   17                                                      
CONECT   44   17                                                      
CONECT   45   17                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   18                                                      
CONECT   49   19                                                      
CONECT   50   19                                                      
CONECT   51   19                                                      
CONECT   52   24                                                      
CONECT   53   24                                                      
CONECT   54   24                                                      
CONECT   55   25                                                      
CONECT   56   25                                                      
CONECT   57   27                                                      
CONECT   58   27                                                      
CONECT   59   27                                                      
MASTER        0    0    0    0    0    0    0    0   59    0   59    0
END
