sim/src/tests/heteroatom_organics/ADAM_AlH2_Cs.pdb


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COMPND    ADAM_AlH2_Cs.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
ATOM      1  C   UNK     0       0.656  -0.028   0.000  1.00  0.00           C  
ATOM      2  C   UNK     0       0.031  -0.686  -1.261  1.00  0.00           C  
ATOM      3  C   UNK     0       0.031  -0.686   1.261  1.00  0.00           C  
ATOM      4  C   UNK     0       0.262   1.486   0.000  1.00  0.00           C  
ATOM      5 AL   UNK     0       2.639  -0.153   0.000  1.00  0.00          AL  
ATOM      6  C   UNK     0      -1.275   1.649   0.000  1.00  0.00           C  
ATOM      7  C   UNK     0      -1.506  -0.524  -1.261  1.00  0.00           C  
ATOM      8  C   UNK     0      -1.506  -0.524   1.261  1.00  0.00           C  
ATOM      9  C   UNK     0      -2.094  -1.190   0.000  1.00  0.00           C  
ATOM     10  C   UNK     0      -1.862   0.979  -1.259  1.00  0.00           C  
ATOM     11  C   UNK     0      -1.862   0.979   1.259  1.00  0.00           C  
ATOM     12  H   UNK     0       0.443  -0.237  -2.176  1.00  0.00           H  
ATOM     13  H   UNK     0       0.443  -0.237   2.176  1.00  0.00           H  
ATOM     14  H   UNK     0       0.285  -1.756  -1.303  1.00  0.00           H  
ATOM     15  H   UNK     0       0.285  -1.756   1.303  1.00  0.00           H  
ATOM     16  H   UNK     0       0.678   1.991  -0.885  1.00  0.00           H  
ATOM     17  H   UNK     0       0.678   1.991   0.885  1.00  0.00           H  
ATOM     18  H   UNK     0       3.454  -0.179  -1.371  1.00  0.00           H  
ATOM     19  H   UNK     0       3.454  -0.179   1.371  1.00  0.00           H  
ATOM     20  H   UNK     0      -1.530   2.719   0.000  1.00  0.00           H  
ATOM     21  H   UNK     0      -1.924  -0.998  -2.159  1.00  0.00           H  
ATOM     22  H   UNK     0      -1.924  -0.998   2.159  1.00  0.00           H  
ATOM     23  H   UNK     0      -3.189  -1.099   0.000  1.00  0.00           H  
ATOM     24  H   UNK     0      -1.864  -2.265   0.000  1.00  0.00           H  
ATOM     25  H   UNK     0      -2.953   1.105  -1.284  1.00  0.00           H  
ATOM     26  H   UNK     0      -2.953   1.105   1.284  1.00  0.00           H  
ATOM     27  H   UNK     0      -1.467   1.460  -2.165  1.00  0.00           H  
ATOM     28  H   UNK     0      -1.467   1.460   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    2   10    9                                       
CONECT    8    9   11    3   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