Accuracy
rep739sys020g01pt100ab
437 rep739sys020g01pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys020g01pt100ab
H=2.693+rep739sys020g01pt100a+rep739sys020g01pt100b 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 0.08473973 +0 2.26644345 +0 2.05281925 +0
C -0.98395213 +0 2.66402731 +0 -0.46953556 +0
H -0.22559931 +0 3.30880722 +0 2.08496652 +0
H -1.30081558 +0 2.45336021 +0 -1.48310052 +0
H -1.15995696 +0 3.67446213 +0 -0.12060467 +0
H 1.15554443 +0 2.20463362 +0 2.25233327 +0
H -0.42072534 +0 1.71649392 +0 2.84877878 +0
P -0.28258839 +0 1.45872142 +0 0.42440494 +0