sim/src/tests/heteroatom_organics/Al_ADAM_C3v.pdb


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COMPND    Al_ADAM_C3v.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
ATOM      1  C   UNK     0      -0.928   1.607   0.502  1.00  0.00           C  
ATOM      2  C   UNK     0      -0.928  -1.607   0.502  1.00  0.00           C  
ATOM      3  C   UNK     0       1.855   0.000   0.502  1.00  0.00           C  
ATOM      4 AL   UNK     0       0.000   0.000   1.142  1.00  0.00          AL  
ATOM      5  C   UNK     0      -0.756   1.309  -1.035  1.00  0.00           C  
ATOM      6  C   UNK     0      -0.756  -1.309  -1.035  1.00  0.00           C  
ATOM      7  C   UNK     0       1.512   0.000  -1.035  1.00  0.00           C  
ATOM      8  C   UNK     0       0.731  -1.265  -1.479  1.00  0.00           C  
ATOM      9  C   UNK     0       0.731   1.265  -1.479  1.00  0.00           C  
ATOM     10  C   UNK     0      -1.461   0.000  -1.479  1.00  0.00           C  
ATOM     11  H   UNK     0      -0.460   2.568   0.742  1.00  0.00           H  
ATOM     12  H   UNK     0      -1.994  -1.683   0.742  1.00  0.00           H  
ATOM     13  H   UNK     0       2.454   0.886   0.742  1.00  0.00           H  
ATOM     14  H   UNK     0      -1.994   1.683   0.742  1.00  0.00           H  
ATOM     15  H   UNK     0      -0.460  -2.568   0.742  1.00  0.00           H  
ATOM     16  H   UNK     0       2.454  -0.886   0.742  1.00  0.00           H  
ATOM     17  H   UNK     0      -1.231   2.132  -1.590  1.00  0.00           H  
ATOM     18  H   UNK     0      -1.231  -2.132  -1.590  1.00  0.00           H  
ATOM     19  H   UNK     0       2.462   0.000  -1.590  1.00  0.00           H  
ATOM     20  H   UNK     0       0.753  -1.305  -2.578  1.00  0.00           H  
ATOM     21  H   UNK     0       0.753   1.305  -2.578  1.00  0.00           H  
ATOM     22  H   UNK     0      -1.507   0.000  -2.578  1.00  0.00           H  
ATOM     23  H   UNK     0       1.251  -2.167  -1.130  1.00  0.00           H  
ATOM     24  H   UNK     0       1.251   2.167  -1.130  1.00  0.00           H  
ATOM     25  H   UNK     0      -2.503   0.000  -1.130  1.00  0.00           H  
CONECT    1    5   14   11    4                                       
CONECT    2    6   15   12    4                                       
CONECT    3    7   16   13    4                                       
CONECT    4    3    2    1                                            
CONECT    5   17    9   10    1                                       
CONECT    6   18    8   10    2                                       
CONECT    7   19    8    9    3                                       
CONECT    8   20   23    6    7                                       
CONECT    9   21   24    5    7                                       
CONECT   10   22   25    5    6                                       
CONECT   11    1                                                      
CONECT   12    2                                                      
CONECT   13    3                                                      
CONECT   14    1                                                      
CONECT   15    2                                                      
CONECT   16    3                                                      
CONECT   17    5                                                      
CONECT   18    6                                                      
CONECT   19    7                                                      
CONECT   20    8                                                      
CONECT   21    9                                                      
CONECT   22   10                                                      
CONECT   23    8                                                      
CONECT   24    9                                                      
CONECT   25   10                                                      
MASTER        0    0    0    0    0    0    0    0   25    0   25    0
END