sim/src/tests/heteroatom_organics/C5H10BH.pdb


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COMPND    C5H10BH.inp.log 
AUTHOR    GENERATED BY OPEN BABEL 2.0.0rc1
HETATM    1  B   LIG     1      -0.740   1.307   0.349  1.00  0.00           B  
HETATM    2  C   LIG     1      -0.280   0.367   1.518  1.00  0.00           C  
HETATM    3  C   LIG     1      -0.628   0.834  -1.144  1.00  0.00           C  
HETATM    4  C   LIG     1      -0.424  -0.682  -1.348  1.00  0.00           C  
HETATM    5  C   LIG     1      -0.117  -1.120   1.145  1.00  0.00           C  
HETATM    6  C   LIG     1       0.472  -1.302  -0.262  1.00  0.00           C  
HETATM    7  H   LIG     1      -1.075   2.435   0.592  1.00  0.00           H  
HETATM    8  H   LIG     1      -0.887   0.499   2.424  1.00  0.00           H  
HETATM    9  H   LIG     1       0.705   0.787   1.804  1.00  0.00           H  
HETATM   10  H   LIG     1      -1.450   1.223  -1.760  1.00  0.00           H  
HETATM   11  H   LIG     1       0.258   1.385  -1.518  1.00  0.00           H  
HETATM   12  H   LIG     1      -0.007  -0.892  -2.340  1.00  0.00           H  
HETATM   13  H   LIG     1      -1.401  -1.186  -1.318  1.00  0.00           H  
HETATM   14  H   LIG     1       0.506  -1.640   1.885  1.00  0.00           H  
HETATM   15  H   LIG     1      -1.098  -1.616   1.181  1.00  0.00           H  
HETATM   16  H   LIG     1       0.627  -2.368  -0.469  1.00  0.00           H  
HETATM   17  H   LIG     1       1.467  -0.831  -0.303  1.00  0.00           H  
CONECT    1    3    7    2                                            
CONECT    2    1    5    9    8                                       
CONECT    3   10   11    4    1                                       
CONECT    4   12   13    3    6                                       
CONECT    5    6   15    2   14                                       
CONECT    6    4   16   17    5                                       
CONECT    7    1                                                      
CONECT    8    2                                                      
CONECT    9    2                                                      
CONECT   10    3                                                      
CONECT   11    3                                                      
CONECT   12    4                                                      
CONECT   13    4                                                      
CONECT   14    5                                                      
CONECT   15    5                                                      
CONECT   16    6                                                      
CONECT   17    6                                                      
MASTER        0    0    0    0    0    0    0    0   17    0   17    0
END