Accuracy
rep739sys011g04pt100ab
314 rep739sys011g04pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys011g04pt100ab
H=4.006+rep739sys011g04pt100a+rep739sys011g04pt100b HR=NCIA HWT=10
F 0.65549693 +0 -0.27452436 +0 1.56871061 +0
H 0.30449693 +1 -0.12752436 +0 0.72871061 +0
C -2.11361864 +0 -0.11976829 +1 -1.46558686 +0
C 0.40641098 +0 0.72743700 +0 -2.23639352 +0
H -2.25522319 +0 0.13193892 +0 -2.51461385 +0
H 1.45875030 +0 0.97365671 +0 -2.17271619 +0
H -0.05637872 +0 0.88117940 +0 -3.20381171 +0
H -2.79290179 +0 0.47987591 +0 -0.85792723 +0
H -2.38277542 +0 -1.16576979 +0 -1.30770559 +0
P -0.37218280 +0 0.15587143 +0 -0.89069387 +0