sim/src/tests/heteroatom_organics/C_CH3_3_BH2.pdb


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COMPND    C_CH3_3_BH2.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  C   LIG     1      -0.518   0.159   0.000  1.00  0.00           C  
HETATM    2  C   LIG     1      -1.077   0.844   1.261  1.00  0.00           C  
HETATM    3  C   LIG     1      -1.077   0.844  -1.261  1.00  0.00           C  
HETATM    4  C   LIG     1      -0.959  -1.342   0.000  1.00  0.00           C  
HETATM    5  B   LIG     1       1.041  -0.003   0.000  1.00  0.00           B  
HETATM    6  H   LIG     1      -0.712   0.370   2.180  1.00  0.00           H  
HETATM    7  H   LIG     1      -0.712   0.370  -2.180  1.00  0.00           H  
HETATM    8  H   LIG     1      -0.787   1.900   1.303  1.00  0.00           H  
HETATM    9  H   LIG     1      -0.787   1.900  -1.303  1.00  0.00           H  
HETATM   10  H   LIG     1      -2.175   0.807   1.281  1.00  0.00           H  
HETATM   11  H   LIG     1      -2.175   0.807  -1.281  1.00  0.00           H  
HETATM   12  H   LIG     1      -0.609  -1.879   0.889  1.00  0.00           H  
HETATM   13  H   LIG     1      -0.609  -1.879  -0.889  1.00  0.00           H  
HETATM   14  H   LIG     1      -2.056  -1.386   0.000  1.00  0.00           H  
HETATM   15  H   LIG     1       1.642  -0.114   1.030  1.00  0.00           H  
HETATM   16  H   LIG     1       1.642  -0.114  -1.030  1.00  0.00           H  
CONECT    1    3    4    5    2                                       
CONECT    2    1   10    8    6                                       
CONECT    3    7    9   11    1                                       
CONECT    4   13    1   14   12                                       
CONECT    5   16    1   15                                            
CONECT    6    2                                                      
CONECT    7    3                                                      
CONECT    8    2                                                      
CONECT    9    3                                                      
CONECT   10    2                                                      
CONECT   11    3                                                      
CONECT   12    4                                                      
CONECT   13    4                                                      
CONECT   14    4                                                      
CONECT   15    5                                                      
CONECT   16    5                                                      
MASTER        0    0    0    0    0    0    0    0   16    0   16    0
END