COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.461   0.963  -0.190  1.00  0.00           C  
HETATM    2  C   UNL     1       7.769   1.640  -0.457  1.00  0.00           C  
HETATM    3  C   UNL     1       9.193   1.119  -0.668  1.00  0.00           C  
HETATM    4  N   UNL     1      -3.165   2.512   0.157  1.00  0.00           N  
HETATM    5  C   UNL     1      -3.145   1.132   0.073  1.00  0.00           C  
HETATM    6  N   UNL     1      -1.996   0.478   0.001  1.00  0.00           N  
HETATM    7  C   UNL     1      -1.965  -0.847  -0.079  1.00  0.00           C  
HETATM    8  S   UNL     1      -0.404  -1.660  -0.174  1.00  0.00           S  
HETATM    9  C   UNL     1       0.700  -0.228  -0.121  1.00  0.00           C  
HETATM   10  C   UNL     1       2.132  -0.694  -0.191  1.00  0.00           C  
HETATM   11  N   UNL     1       3.135   0.205  -0.167  1.00  0.00           N  
HETATM   12  C   UNL     1       4.527  -0.249  -0.235  1.00  0.00           C  
HETATM   13  N   UNL     1       6.856   0.508  -0.259  1.00  0.00           N  
HETATM   14  C   UNL     1       9.619   0.303   0.555  1.00  0.00           C  
HETATM   15  C   UNL     1       8.624  -0.842   0.768  1.00  0.00           C  
HETATM   16  C   UNL     1       7.217  -0.263   0.938  1.00  0.00           C  
HETATM   17  O   UNL     1       2.380  -1.879  -0.269  1.00  0.00           O  
HETATM   18  N   UNL     1      -3.066  -1.574  -0.090  1.00  0.00           N  
HETATM   19  C   UNL     1      -4.274  -0.994  -0.020  1.00  0.00           C  
HETATM   20  S   UNL     1      -5.887  -1.682  -0.006  1.00  0.00           S  
HETATM   21  C   UNL     1      -4.356   0.391   0.071  1.00  0.00           C  
HETATM   22  C   UNL     1      -5.739   0.872   0.138  1.00  0.00           C  
HETATM   23  C   UNL     1      -6.645  -0.094   0.122  1.00  0.00           C  
HETATM   24  C   UNL     1      -8.052   0.489   0.209  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.885   1.978  -0.153  1.00  0.00           C  
HETATM   26  C   UNL     1      -6.423   2.235   0.244  1.00  0.00           C  
HETATM   27  H   UNL     1       5.249   1.616  -1.037  1.00  0.00           H  
HETATM   28  H   UNL     1       5.302   1.510   0.739  1.00  0.00           H  
HETATM   29  H   UNL     1       7.746   2.284   0.423  1.00  0.00           H  
HETATM   30  H   UNL     1       7.458   2.210  -1.332  1.00  0.00           H  
HETATM   31  H   UNL     1       9.220   0.486  -1.555  1.00  0.00           H  
HETATM   32  H   UNL     1       9.873   1.960  -0.800  1.00  0.00           H  
HETATM   33  H   UNL     1      -2.333   3.010   0.163  1.00  0.00           H  
HETATM   34  H   UNL     1      -4.012   2.982   0.210  1.00  0.00           H  
HETATM   35  H   UNL     1       0.489   0.426  -0.968  1.00  0.00           H  
HETATM   36  H   UNL     1       0.542   0.319   0.808  1.00  0.00           H  
HETATM   37  H   UNL     1       2.937   1.152  -0.105  1.00  0.00           H  
HETATM   38  H   UNL     1       4.686  -0.795  -1.165  1.00  0.00           H  
HETATM   39  H   UNL     1       4.738  -0.902   0.612  1.00  0.00           H  
HETATM   40  H   UNL     1      10.615  -0.107   0.390  1.00  0.00           H  
HETATM   41  H   UNL     1       9.629   0.945   1.436  1.00  0.00           H  
HETATM   42  H   UNL     1       8.642  -1.505  -0.097  1.00  0.00           H  
HETATM   43  H   UNL     1       8.898  -1.401   1.662  1.00  0.00           H  
HETATM   44  H   UNL     1       7.196   0.389   1.810  1.00  0.00           H  
HETATM   45  H   UNL     1       6.504  -1.076   1.075  1.00  0.00           H  
HETATM   46  H   UNL     1      -8.720  -0.001  -0.500  1.00  0.00           H  
HETATM   47  H   UNL     1      -8.434   0.386   1.224  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.022   2.139  -1.222  1.00  0.00           H  
HETATM   49  H   UNL     1      -8.570   2.600   0.424  1.00  0.00           H  
HETATM   50  H   UNL     1      -6.367   2.599   1.270  1.00  0.00           H  
HETATM   51  H   UNL     1      -5.965   2.951  -0.439  1.00  0.00           H  
CONECT    1   13   12   27   28                                       
CONECT    2    3   13   29   30                                       
CONECT    3   14    2   31   32                                       
CONECT    4    5   33   34                                            
CONECT    5   21    4    6    6                                       
CONECT    6    5    5    7                                            
CONECT    7   18   18    6    8                                       
CONECT    8    7    9                                                 
CONECT    9    8   10   35   36                                       
CONECT   10    9   17   17   11                                       
CONECT   11   10   12   37                                            
CONECT   12    1   11   38   39                                       
CONECT   13   16    2    1                                            
CONECT   14   15    3   40   41                                       
CONECT   15   14   16   42   43                                       
CONECT   16   15   13   44   45                                       
CONECT   17   10   10                                                 
CONECT   18   19    7    7                                            
CONECT   19   20   21   21   18                                       
CONECT   20   23   19                                                 
CONECT   21   22   19   19    5                                       
CONECT   22   23   23   26   21                                       
CONECT   23   24   20   22   22                                       
CONECT   24   25   23   46   47                                       
CONECT   25   24   26   48   49                                       
CONECT   26   25   22   50   51                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    2                                                      
CONECT   30    2                                                      
CONECT   31    3                                                      
CONECT   32    3                                                      
CONECT   33    4                                                      
CONECT   34    4                                                      
CONECT   35    9                                                      
CONECT   36    9                                                      
CONECT   37   11                                                      
CONECT   38   12                                                      
CONECT   39   12                                                      
CONECT   40   14                                                      
CONECT   41   14                                                      
CONECT   42   15                                                      
CONECT   43   15                                                      
CONECT   44   16                                                      
CONECT   45   16                                                      
CONECT   46   24                                                      
CONECT   47   24                                                      
CONECT   48   25                                                      
CONECT   49   25                                                      
CONECT   50   26                                                      
CONECT   51   26                                                      
MASTER        0    0    0    0    0    0    0    0   51    0   51    0
END
