Accuracy
rep739sys017g01pt100ab
385 rep739sys017g01pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys017g01pt100ab
H=2.604+rep739sys017g01pt100a+rep739sys017g01pt100b HR=NCIA HWT=10
H 0.88017273 +0 -2.75418982 +0 0.12263244 +0
H 0.11717273 +1 -2.39518982 +0 -1.62136756 +0
S 0.32917273 +0 -1.69918982 +1 -0.49436756 +0
C -0.21481264 +0 1.10886295 +0 0.32261603 +0
C -1.02612788 +0 0.65085245 +0 1.35663197 +0
C -0.47747846 +0 0.39297842 +0 2.60828639 +0
C 0.88132839 +0 0.59232935 +0 2.82613074 +0
C 1.69197865 +0 1.05037392 +0 1.79336245 +0
C 1.14360779 +0 1.30893433 +0 0.54103625 +0
H -0.64166163 +0 1.30973325 +0 -0.65096605 +0
H -2.08266051 +0 0.49564353 +0 1.18567876 +0
H -1.10831991 +0 0.03611366 +0 3.41112112 +0
H 1.30817738 +0 0.39145906 +0 3.79971282 +0
H 2.74917626 +0 1.20554877 +0 1.96306801 +0
H 1.77307716 +0 1.66488030 +0 -0.26330620 +0