sim/src/tests/heteroatom_organics/ADAM_OH_Cs.pdb


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COMPND    ADAM_OH_Cs.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
ATOM      1  C   UNK     0       1.397   0.587   0.000  1.00  0.00           C  
ATOM      2  C   UNK     0      -0.065   1.063   0.000  1.00  0.00           C  
ATOM      3  C   UNK     0       1.448  -0.956   0.000  1.00  0.00           C  
ATOM      4  C   UNK     0      -0.776   0.520   1.256  1.00  0.00           C  
ATOM      5  C   UNK     0      -0.776   0.520  -1.256  1.00  0.00           C  
ATOM      6  O   UNK     0      -0.027   2.492   0.000  1.00  0.00           O  
ATOM      7  C   UNK     0      -0.735  -1.024   1.262  1.00  0.00           C  
ATOM      8  C   UNK     0      -0.735  -1.024  -1.262  1.00  0.00           C  
ATOM      9  C   UNK     0       0.736  -1.493   1.259  1.00  0.00           C  
ATOM     10  C   UNK     0       0.736  -1.493  -1.259  1.00  0.00           C  
ATOM     11  C   UNK     0      -1.445  -1.558   0.000  1.00  0.00           C  
ATOM     12  H   UNK     0       1.903   0.994   0.884  1.00  0.00           H  
ATOM     13  H   UNK     0       1.903   0.994  -0.884  1.00  0.00           H  
ATOM     14  H   UNK     0       2.496  -1.283   0.000  1.00  0.00           H  
ATOM     15  H   UNK     0      -1.819   0.868   1.273  1.00  0.00           H  
ATOM     16  H   UNK     0      -1.819   0.868  -1.273  1.00  0.00           H  
ATOM     17  H   UNK     0      -0.287   0.927   2.151  1.00  0.00           H  
ATOM     18  H   UNK     0      -0.287   0.927  -2.151  1.00  0.00           H  
ATOM     19  H   UNK     0      -0.944   2.802   0.000  1.00  0.00           H  
ATOM     20  H   UNK     0      -1.242  -1.401   2.160  1.00  0.00           H  
ATOM     21  H   UNK     0      -1.242  -1.401  -2.160  1.00  0.00           H  
ATOM     22  H   UNK     0       0.778  -2.590   1.284  1.00  0.00           H  
ATOM     23  H   UNK     0       0.778  -2.590  -1.284  1.00  0.00           H  
ATOM     24  H   UNK     0       1.244  -1.136   2.165  1.00  0.00           H  
ATOM     25  H   UNK     0       1.244  -1.136  -2.165  1.00  0.00           H  
ATOM     26  H   UNK     0      -1.439  -2.657   0.000  1.00  0.00           H  
ATOM     27  H   UNK     0      -2.500  -1.252   0.000  1.00  0.00           H  
CONECT    1   13    3    2   12                                       
CONECT    2    5    6    1    4                                       
CONECT    3   10   14    1    9                                       
CONECT    4    2    7   15   17                                       
CONECT    5   18   16    8    2                                       
CONECT    6   19    2                                                 
CONECT    7   11    4    9   20                                       
CONECT    8   21   10    5   11                                       
CONECT    9    3    7   22   24                                       
CONECT   10   25   23    8    3                                       
CONECT   11    8   27   26    7                                       
CONECT   12    1                                                      
CONECT   13    1                                                      
CONECT   14    3                                                      
CONECT   15    4                                                      
CONECT   16    5                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    6                                                      
CONECT   20    7                                                      
CONECT   21    8                                                      
CONECT   22    9                                                      
CONECT   23   10                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   11                                                      
MASTER        0    0    0    0    0    0    0    0   27    0   27    0
END