Accuracy
rep739sys002g16pt100ab
181 rep739sys002g16pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys002g16pt100ab
H=2.070+rep739sys002g16pt100a+rep739sys002g16pt100b HR=NCIA HWT=10
C -1.70000000 +0 0.00000000 +0 0.00000000 +0
H -2.78776514 +1 0.00000000 +0 0.00000000 +0
H -1.33764972 +0 1.02618677 +1 0.00000000 +0
H -1.33676902 +0 -0.51227405 +0 0.88724718 +0
H -1.33735462 +0 -0.51197956 +0 -0.88867894 +0
F 1.00567006 +0 -0.00034037 +0 0.00025209 +0
H 0.08349337 +0 -0.00002826 +0 0.00002093 +0