sim/src/tests/heteroatom_organics/ADAM_PH2_Cs.pdb


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COMPND    ADAM_PH2_Cs.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
ATOM      1  C   UNK     0       0.678  -0.114   0.000  1.00  0.00           C  
ATOM      2  C   UNK     0       0.040  -0.759  -1.258  1.00  0.00           C  
ATOM      3  C   UNK     0       0.040  -0.759   1.258  1.00  0.00           C  
ATOM      4  C   UNK     0       0.360   1.401   0.000  1.00  0.00           C  
ATOM      5  P   UNK     0       2.527  -0.507   0.000  1.00  0.00           P  
ATOM      6  C   UNK     0      -1.169   1.625   0.000  1.00  0.00           C  
ATOM      7  C   UNK     0      -1.488  -0.535  -1.259  1.00  0.00           C  
ATOM      8  C   UNK     0      -1.488  -0.535   1.259  1.00  0.00           C  
ATOM      9  C   UNK     0      -2.104  -1.179   0.000  1.00  0.00           C  
ATOM     10  C   UNK     0      -1.782   0.980  -1.259  1.00  0.00           C  
ATOM     11  C   UNK     0      -1.782   0.980   1.259  1.00  0.00           C  
ATOM     12  H   UNK     0       0.475  -0.324  -2.169  1.00  0.00           H  
ATOM     13  H   UNK     0       0.475  -0.324   2.169  1.00  0.00           H  
ATOM     14  H   UNK     0       0.267  -1.833  -1.284  1.00  0.00           H  
ATOM     15  H   UNK     0       0.267  -1.833   1.284  1.00  0.00           H  
ATOM     16  H   UNK     0       0.807   1.876  -0.883  1.00  0.00           H  
ATOM     17  H   UNK     0       0.807   1.876   0.883  1.00  0.00           H  
ATOM     18  H   UNK     0       2.910   0.393  -1.040  1.00  0.00           H  
ATOM     19  H   UNK     0       2.910   0.393   1.040  1.00  0.00           H  
ATOM     20  H   UNK     0      -1.377   2.704   0.000  1.00  0.00           H  
ATOM     21  H   UNK     0      -1.917  -0.995  -2.159  1.00  0.00           H  
ATOM     22  H   UNK     0      -1.917  -0.995   2.159  1.00  0.00           H  
ATOM     23  H   UNK     0      -3.193  -1.038   0.000  1.00  0.00           H  
ATOM     24  H   UNK     0      -1.917  -2.261   0.000  1.00  0.00           H  
ATOM     25  H   UNK     0      -2.867   1.154  -1.286  1.00  0.00           H  
ATOM     26  H   UNK     0      -2.867   1.154   1.286  1.00  0.00           H  
ATOM     27  H   UNK     0      -1.366   1.443  -2.165  1.00  0.00           H  
ATOM     28  H   UNK     0      -1.366   1.443   2.165  1.00  0.00           H  
CONECT    1    2    5    4    3                                       
CONECT    2   12   14    7    1                                       
CONECT    3    1    8   15   13                                       
CONECT    4   16    6    1   17                                       
CONECT    5   18    1   19                                            
CONECT    6   10   20    4   11                                       
CONECT    7   21   10    2    9                                       
CONECT    8    9    3   11   22                                       
CONECT    9    7   23   24    8                                       
CONECT   10   27   25    7    6                                       
CONECT   11    6    8   26   28                                       
CONECT   12    2                                                      
CONECT   13    3                                                      
CONECT   14    2                                                      
CONECT   15    3                                                      
CONECT   16    4                                                      
CONECT   17    4                                                      
CONECT   18    5                                                      
CONECT   19    5                                                      
CONECT   20    6                                                      
CONECT   21    7                                                      
CONECT   22    8                                                      
CONECT   23    9                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
CONECT   26   11                                                      
CONECT   27   10                                                      
CONECT   28   11                                                      
MASTER        0    0    0    0    0    0    0    0   28    0   28    0
END