sim/src/tests/heteroatom_organics/ADAM_SH_Cs.pdb


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COMPND    ADAM_SH_Cs.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
ATOM      1  C   UNK     0       1.425   0.546   0.000  1.00  0.00           C  
ATOM      2  C   UNK     0      -0.040   1.039   0.000  1.00  0.00           C  
ATOM      3  C   UNK     0       1.456  -1.000   0.000  1.00  0.00           C  
ATOM      4  C   UNK     0      -0.756   0.504   1.258  1.00  0.00           C  
ATOM      5  C   UNK     0      -0.756   0.504  -1.258  1.00  0.00           C  
ATOM      6  S   UNK     0       0.029   2.898   0.000  1.00  0.00           S  
ATOM      7  C   UNK     0      -0.725  -1.044   1.259  1.00  0.00           C  
ATOM      8  C   UNK     0      -0.725  -1.044  -1.259  1.00  0.00           C  
ATOM      9  C   UNK     0       0.739  -1.527   1.260  1.00  0.00           C  
ATOM     10  C   UNK     0       0.739  -1.527  -1.260  1.00  0.00           C  
ATOM     11  C   UNK     0      -1.442  -1.572   0.000  1.00  0.00           C  
ATOM     12  H   UNK     0       1.945   0.935   0.885  1.00  0.00           H  
ATOM     13  H   UNK     0       1.945   0.935  -0.885  1.00  0.00           H  
ATOM     14  H   UNK     0       2.502  -1.332   0.000  1.00  0.00           H  
ATOM     15  H   UNK     0      -1.798   0.852   1.275  1.00  0.00           H  
ATOM     16  H   UNK     0      -1.798   0.852  -1.275  1.00  0.00           H  
ATOM     17  H   UNK     0      -0.274   0.897   2.161  1.00  0.00           H  
ATOM     18  H   UNK     0      -0.274   0.897  -2.161  1.00  0.00           H  
ATOM     19  H   UNK     0      -1.306   3.098   0.000  1.00  0.00           H  
ATOM     20  H   UNK     0      -1.236  -1.409   2.160  1.00  0.00           H  
ATOM     21  H   UNK     0      -1.236  -1.409  -2.160  1.00  0.00           H  
ATOM     22  H   UNK     0       0.773  -2.624   1.285  1.00  0.00           H  
ATOM     23  H   UNK     0       0.773  -2.624  -1.285  1.00  0.00           H  
ATOM     24  H   UNK     0       1.251  -1.173   2.165  1.00  0.00           H  
ATOM     25  H   UNK     0       1.251  -1.173  -2.165  1.00  0.00           H  
ATOM     26  H   UNK     0      -1.446  -2.671   0.000  1.00  0.00           H  
ATOM     27  H   UNK     0      -2.493  -1.255   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