COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       5.241  -1.740  -0.850  1.00  0.00           C  
HETATM    2  C   UNL     1       4.099  -1.067  -0.132  1.00  0.00           C  
HETATM    3  O   UNL     1       4.312  -0.416   0.869  1.00  0.00           O  
HETATM    4  C   UNL     1       2.727  -1.200  -0.645  1.00  0.00           C  
HETATM    5  C   UNL     1       1.664  -0.578   0.019  1.00  0.00           C  
HETATM    6  C   UNL     1       2.478  -1.945  -1.802  1.00  0.00           C  
HETATM    7  C   UNL     1       1.189  -2.065  -2.277  1.00  0.00           C  
HETATM    8  C   UNL     1       0.142  -1.451  -1.611  1.00  0.00           C  
HETATM    9  C   UNL     1       0.381  -0.707  -0.468  1.00  0.00           C  
HETATM   10  C   UNL     1      -0.765  -0.037   0.245  1.00  0.00           C  
HETATM   11  C   UNL     1      -1.772  -1.077   0.665  1.00  0.00           C  
HETATM   12  C   UNL     1      -2.818  -1.405  -0.177  1.00  0.00           C  
HETATM   13  C   UNL     1      -3.741  -2.359   0.209  1.00  0.00           C  
HETATM   14  C   UNL     1      -3.619  -2.984   1.436  1.00  0.00           C  
HETATM   15  C   UNL     1      -2.572  -2.656   2.277  1.00  0.00           C  
HETATM   16  C   UNL     1      -1.646  -1.706   1.890  1.00  0.00           C  
HETATM   17  S   UNL     1      -0.141   0.828   1.712  1.00  0.00           S  
HETATM   18  C   UNL     1       0.888   2.143   1.004  1.00  0.00           C  
HETATM   19  C   UNL     1       1.608   2.890   2.129  1.00  0.00           C  
HETATM   20  N   UNL     1       2.441   3.955   1.555  1.00  0.00           N  
HETATM   21  C   UNL     1      -1.422   0.954  -0.680  1.00  0.00           C  
HETATM   22  C   UNL     1      -2.560   1.627  -0.277  1.00  0.00           C  
HETATM   23  C   UNL     1      -3.163   2.536  -1.126  1.00  0.00           C  
HETATM   24  C   UNL     1      -2.628   2.772  -2.378  1.00  0.00           C  
HETATM   25  C   UNL     1      -1.490   2.100  -2.782  1.00  0.00           C  
HETATM   26  C   UNL     1      -0.884   1.194  -1.931  1.00  0.00           C  
HETATM   27  H   UNL     1       6.174  -1.530  -0.326  1.00  0.00           H  
HETATM   28  H   UNL     1       5.072  -2.816  -0.873  1.00  0.00           H  
HETATM   29  H   UNL     1       5.303  -1.360  -1.870  1.00  0.00           H  
HETATM   30  H   UNL     1       1.849   0.003   0.910  1.00  0.00           H  
HETATM   31  H   UNL     1       3.293  -2.425  -2.323  1.00  0.00           H  
HETATM   32  H   UNL     1       0.995  -2.640  -3.170  1.00  0.00           H  
HETATM   33  H   UNL     1      -0.865  -1.548  -1.988  1.00  0.00           H  
HETATM   34  H   UNL     1      -2.914  -0.917  -1.135  1.00  0.00           H  
HETATM   35  H   UNL     1      -0.826  -1.452   2.546  1.00  0.00           H  
HETATM   36  H   UNL     1      -4.559  -2.615  -0.449  1.00  0.00           H  
HETATM   37  H   UNL     1      -4.341  -3.728   1.737  1.00  0.00           H  
HETATM   38  H   UNL     1      -2.477  -3.144   3.236  1.00  0.00           H  
HETATM   39  H   UNL     1       1.625   1.705   0.330  1.00  0.00           H  
HETATM   40  H   UNL     1       0.258   2.839   0.451  1.00  0.00           H  
HETATM   41  H   UNL     1       0.872   3.328   2.803  1.00  0.00           H  
HETATM   42  H   UNL     1       2.238   2.193   2.682  1.00  0.00           H  
HETATM   43  H   UNL     1       1.890   4.577   0.984  1.00  0.00           H  
HETATM   44  H   UNL     1       2.927   4.463   2.279  1.00  0.00           H  
HETATM   45  H   UNL     1      -2.978   1.443   0.702  1.00  0.00           H  
HETATM   46  H   UNL     1       0.007   0.671  -2.245  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.052   3.062  -0.810  1.00  0.00           H  
HETATM   48  H   UNL     1      -3.100   3.482  -3.042  1.00  0.00           H  
HETATM   49  H   UNL     1      -1.072   2.284  -3.761  1.00  0.00           H  
CONECT    1    2   27   28   29                                       
CONECT    2    1    3    3    4                                       
CONECT    3    2    2                                                 
CONECT    4    2    5    6    6                                       
CONECT    5    4    9    9   30                                       
CONECT    6    4    4    7   31                                       
CONECT    7    6    8    8   32                                       
CONECT    8    7    7    9   33                                       
CONECT    9    5    5    8   10                                       
CONECT   10    9   11   17   21                                       
CONECT   11   10   12   16   16                                       
CONECT   12   11   13   13   34                                       
CONECT   13   12   12   14   36                                       
CONECT   14   13   15   15   37                                       
CONECT   15   14   14   16   38                                       
CONECT   16   11   11   15   35                                       
CONECT   17   10   18                                                 
CONECT   18   17   19   39   40                                       
CONECT   19   18   20   41   42                                       
CONECT   20   19   43   44                                            
CONECT   21   10   22   26   26                                       
CONECT   22   21   23   23   45                                       
CONECT   23   22   22   24   47                                       
CONECT   24   23   25   25   48                                       
CONECT   25   24   24   26   49                                       
CONECT   26   21   21   25   46                                       
CONECT   27    1                                                      
CONECT   28    1                                                      
CONECT   29    1                                                      
CONECT   30    5                                                      
CONECT   31    6                                                      
CONECT   32    7                                                      
CONECT   33    8                                                      
CONECT   34   12                                                      
CONECT   35   16                                                      
CONECT   36   13                                                      
CONECT   37   14                                                      
CONECT   38   15                                                      
CONECT   39   18                                                      
CONECT   40   18                                                      
CONECT   41   19                                                      
CONECT   42   19                                                      
CONECT   43   20                                                      
CONECT   44   20                                                      
CONECT   45   22                                                      
CONECT   46   26                                                      
CONECT   47   23                                                      
CONECT   48   24                                                      
CONECT   49   25                                                      
MASTER        0    0    0    0    0    0    0    0   49    0   49    0
END
