COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.841   1.671  -1.197  1.00  0.00           C  
HETATM    2  C   UNL     1       4.654   0.766  -0.994  1.00  0.00           C  
HETATM    3  C   UNL     1       4.143   0.064  -2.043  1.00  0.00           C  
HETATM    4  C   UNL     1       3.045  -0.779  -1.875  1.00  0.00           C  
HETATM    5  C   UNL     1       2.453  -0.924  -0.658  1.00  0.00           C  
HETATM    6  C   UNL     1       1.267  -1.841  -0.498  1.00  0.00           C  
HETATM    7  C   UNL     1      -0.003  -1.031  -0.541  1.00  0.00           C  
HETATM    8  C   UNL     1       0.004   0.271  -0.999  1.00  0.00           C  
HETATM    9  C   UNL     1      -1.182   0.997  -1.029  1.00  0.00           C  
HETATM   10  O   UNL     1      -1.164   2.148  -1.436  1.00  0.00           O  
HETATM   11  N   UNL     1      -2.367   0.456  -0.615  1.00  0.00           N  
HETATM   12  C   UNL     1      -2.373  -0.824  -0.165  1.00  0.00           C  
HETATM   13  S   UNL     1      -4.012  -1.294   0.309  1.00  0.00           S  
HETATM   14  C   UNL     1      -4.797   0.293  -0.100  1.00  0.00           C  
HETATM   15  C   UNL     1      -3.650   1.156  -0.619  1.00  0.00           C  
HETATM   16  C   UNL     1      -3.536   2.385   0.247  1.00  0.00           C  
HETATM   17  O   UNL     1      -4.593   3.197   0.401  1.00  0.00           O  
HETATM   18  O   UNL     1      -2.493   2.638   0.801  1.00  0.00           O  
HETATM   19  C   UNL     1      -1.211  -1.578  -0.126  1.00  0.00           C  
HETATM   20  N   UNL     1      -1.254  -2.897   0.337  1.00  0.00           N1+
HETATM   21  C   UNL     1      -0.531  -3.768  -0.599  1.00  0.00           C  
HETATM   22  C   UNL     1      -0.623  -2.971   1.662  1.00  0.00           C  
HETATM   23  C   UNL     1       2.953  -0.217   0.448  1.00  0.00           C  
HETATM   24  C   UNL     1       2.368  -0.341   1.719  1.00  0.00           C  
HETATM   25  C   UNL     1       2.880   0.361   2.768  1.00  0.00           C  
HETATM   26  C   UNL     1       3.977   1.203   2.600  1.00  0.00           C  
HETATM   27  C   UNL     1       4.569   1.349   1.383  1.00  0.00           C  
HETATM   28  C   UNL     1       4.073   0.636   0.279  1.00  0.00           C  
HETATM   29  H   UNL     1       5.495   2.671  -1.459  1.00  0.00           H  
HETATM   30  H   UNL     1       6.423   1.719  -0.276  1.00  0.00           H  
HETATM   31  H   UNL     1       6.465   1.280  -2.000  1.00  0.00           H  
HETATM   32  H   UNL     1       4.594   0.162  -3.019  1.00  0.00           H  
HETATM   33  H   UNL     1       2.659  -1.324  -2.723  1.00  0.00           H  
HETATM   34  H   UNL     1       1.260  -2.571  -1.307  1.00  0.00           H  
HETATM   35  H   UNL     1       1.335  -2.359   0.458  1.00  0.00           H  
HETATM   36  H   UNL     1       0.926   0.724  -1.332  1.00  0.00           H  
HETATM   37  H   UNL     1      -5.552   0.157  -0.874  1.00  0.00           H  
HETATM   38  H   UNL     1      -5.241   0.740   0.790  1.00  0.00           H  
HETATM   39  H   UNL     1      -3.878   1.468  -1.638  1.00  0.00           H  
HETATM   40  H   UNL     1      -4.472   3.973   0.966  1.00  0.00           H  
HETATM   41  H   UNL     1       0.532  -3.757  -0.359  1.00  0.00           H  
HETATM   42  H   UNL     1      -0.912  -4.786  -0.515  1.00  0.00           H  
HETATM   43  H   UNL     1      -0.678  -3.408  -1.617  1.00  0.00           H  
HETATM   44  H   UNL     1      -1.240  -2.443   2.388  1.00  0.00           H  
HETATM   45  H   UNL     1      -0.524  -4.015   1.959  1.00  0.00           H  
HETATM   46  H   UNL     1       0.364  -2.510   1.620  1.00  0.00           H  
HETATM   47  H   UNL     1       1.517  -0.990   1.864  1.00  0.00           H  
HETATM   48  H   UNL     1       2.428   0.263   3.744  1.00  0.00           H  
HETATM   49  H   UNL     1       4.363   1.748   3.448  1.00  0.00           H  
HETATM   50  H   UNL     1       5.419   2.006   1.268  1.00  0.00           H  
HETATM   51  H   UNL     1      -2.214  -3.198   0.405  1.00  0.00           H  
CONECT    1    2   29   30   31                                       
CONECT    2   28    1    3    3                                       
CONECT    3    2    2    4   32                                       
CONECT    4    5    5    3   33                                       
CONECT    5   23    6    4    4                                       
CONECT    6    5    7   34   35                                       
CONECT    7    6    8    8   19                                       
CONECT    8    7    7    9   36                                       
CONECT    9    8   10   10   11                                       
CONECT   10    9    9                                                 
CONECT   11    9   12   15                                            
CONECT   12   19   19   11   13                                       
CONECT   13   12   14                                                 
CONECT   14   13   15   37   38                                       
CONECT   15   16   11   14   39                                       
CONECT   16   18   18   17   15                                       
CONECT   17   16   40                                                 
CONECT   18   16   16                                                 
CONECT   19    7   20   12   12                                       
CONECT   20   22   19   21   51                                       
CONECT   21   20   41   42   43                                       
CONECT   22   20   44   45   46                                       
CONECT   23   24   24   28    5                                       
CONECT   24   25   23   23   47                                       
CONECT   25   26   26   24   48                                       
CONECT   26   25   25   27   49                                       
CONECT   27   26   28   28   50                                       
CONECT   28   27   27   23    2                                       
CONECT   29    1                                                      
CONECT   30    1                                                      
CONECT   31    1                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    6                                                      
CONECT   35    6                                                      
CONECT   36    8                                                      
CONECT   37   14                                                      
CONECT   38   14                                                      
CONECT   39   15                                                      
CONECT   40   17                                                      
CONECT   41   21                                                      
CONECT   42   21                                                      
CONECT   43   21                                                      
CONECT   44   22                                                      
CONECT   45   22                                                      
CONECT   46   22                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   26                                                      
CONECT   50   27                                                      
CONECT   51   20                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
