COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  O   UNL     1       4.511   2.466  -1.711  1.00  0.00           O  
HETATM    2  C   UNL     1       5.336   2.107  -0.898  1.00  0.00           C  
HETATM    3  N   UNL     1       6.557   2.679  -0.879  1.00  0.00           N  
HETATM    4  C   UNL     1       4.995   1.027   0.095  1.00  0.00           C  
HETATM    5  C   UNL     1       5.952  -0.153  -0.085  1.00  0.00           C  
HETATM    6  C   UNL     1       5.687  -1.196   1.002  1.00  0.00           C  
HETATM    7  C   UNL     1       6.630  -2.358   0.825  1.00  0.00           C  
HETATM    8  O   UNL     1       6.580  -3.399   1.670  1.00  0.00           O  
HETATM    9  O   UNL     1       7.432  -2.352  -0.079  1.00  0.00           O  
HETATM   10  N   UNL     1       3.618   0.577  -0.127  1.00  0.00           N  
HETATM   11  C   UNL     1       2.592   1.242   0.440  1.00  0.00           C  
HETATM   12  O   UNL     1       2.809   2.216   1.135  1.00  0.00           O  
HETATM   13  C   UNL     1       1.206   0.789   0.216  1.00  0.00           C  
HETATM   14  C   UNL     1       0.957  -0.334  -0.578  1.00  0.00           C  
HETATM   15  C   UNL     1      -0.326  -0.754  -0.785  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.391  -0.060  -0.202  1.00  0.00           C  
HETATM   17  C   UNL     1      -1.142   1.063   0.593  1.00  0.00           C  
HETATM   18  C   UNL     1       0.141   1.479   0.804  1.00  0.00           C  
HETATM   19  C   UNL     1      -2.777  -0.514  -0.425  1.00  0.00           C  
HETATM   20  C   UNL     1      -3.880   0.077   0.079  1.00  0.00           C  
HETATM   21  C   UNL     1      -5.063  -0.553  -0.286  1.00  0.00           C  
HETATM   22  C   UNL     1      -4.900  -1.633  -1.074  1.00  0.00           C  
HETATM   23  S   UNL     1      -3.246  -1.902  -1.396  1.00  0.00           S  
HETATM   24  C   UNL     1      -6.397  -0.075   0.155  1.00  0.00           C  
HETATM   25  C   UNL     1      -7.549  -0.750  -0.245  1.00  0.00           C  
HETATM   26  C   UNL     1      -8.786  -0.301   0.169  1.00  0.00           C  
HETATM   27  C   UNL     1      -8.885   0.816   0.979  1.00  0.00           C  
HETATM   28  C   UNL     1      -7.745   1.489   1.379  1.00  0.00           C  
HETATM   29  C   UNL     1      -6.501   1.046   0.976  1.00  0.00           C  
HETATM   30  H   UNL     1       6.775   3.377  -1.516  1.00  0.00           H  
HETATM   31  H   UNL     1       7.217   2.392  -0.229  1.00  0.00           H  
HETATM   32  H   UNL     1       5.090   1.420   1.107  1.00  0.00           H  
HETATM   33  H   UNL     1       5.794  -0.602  -1.066  1.00  0.00           H  
HETATM   34  H   UNL     1       6.981   0.199  -0.008  1.00  0.00           H  
HETATM   35  H   UNL     1       5.845  -0.747   1.983  1.00  0.00           H  
HETATM   36  H   UNL     1       4.659  -1.548   0.925  1.00  0.00           H  
HETATM   37  H   UNL     1       7.204  -4.121   1.516  1.00  0.00           H  
HETATM   38  H   UNL     1       3.445  -0.200  -0.681  1.00  0.00           H  
HETATM   39  H   UNL     1       1.779  -0.870  -1.029  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.518  -1.622  -1.398  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.965   1.599   1.042  1.00  0.00           H  
HETATM   42  H   UNL     1       0.334   2.344   1.421  1.00  0.00           H  
HETATM   43  H   UNL     1      -3.846   0.955   0.707  1.00  0.00           H  
HETATM   44  H   UNL     1      -5.706  -2.244  -1.453  1.00  0.00           H  
HETATM   45  H   UNL     1      -7.473  -1.622  -0.878  1.00  0.00           H  
HETATM   46  H   UNL     1      -9.680  -0.823  -0.140  1.00  0.00           H  
HETATM   47  H   UNL     1      -9.855   1.163   1.301  1.00  0.00           H  
HETATM   48  H   UNL     1      -7.827   2.358   2.015  1.00  0.00           H  
HETATM   49  H   UNL     1      -5.611   1.573   1.288  1.00  0.00           H  
CONECT    1    2    2                                                 
CONECT    2    1    1    4    3                                       
CONECT    3    2   30   31                                            
CONECT    4    5    2   10   32                                       
CONECT    5    6    4   33   34                                       
CONECT    6    7    5   35   36                                       
CONECT    7    9    9    6    8                                       
CONECT    8    7   37                                                 
CONECT    9    7    7                                                 
CONECT   10    4   11   38                                            
CONECT   11   10   12   12   13                                       
CONECT   12   11   11                                                 
CONECT   13   11   14   14   18                                       
CONECT   14   13   13   15   39                                       
CONECT   15   14   16   16   40                                       
CONECT   16   15   15   17   19                                       
CONECT   17   18   18   16   41                                       
CONECT   18   13   17   17   42                                       
CONECT   19   16   20   20   23                                       
CONECT   20   19   19   21   43                                       
CONECT   21   20   24   22   22                                       
CONECT   22   21   21   23   44                                       
CONECT   23   19   22                                                 
CONECT   24   29   21   25   25                                       
CONECT   25   24   24   26   45                                       
CONECT   26   27   27   25   46                                       
CONECT   27   28   26   26   47                                       
CONECT   28   29   29   27   48                                       
CONECT   29   28   28   24   49                                       
CONECT   30    3                                                      
CONECT   31    3                                                      
CONECT   32    4                                                      
CONECT   33    5                                                      
CONECT   34    5                                                      
CONECT   35    6                                                      
CONECT   36    6                                                      
CONECT   37    8                                                      
CONECT   38   10                                                      
CONECT   39   14                                                      
CONECT   40   15                                                      
CONECT   41   17                                                      
CONECT   42   18                                                      
CONECT   43   20                                                      
CONECT   44   22                                                      
CONECT   45   25                                                      
CONECT   46   26                                                      
CONECT   47   27                                                      
CONECT   48   28                                                      
CONECT   49   29                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
