Accuracy
rep739sys017g03pt100ab
387 rep739sys017g03pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys017g03pt100ab
H=2.267+rep739sys017g03pt100a+rep739sys017g03pt100b 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 -0.24060698 +0 1.24201336 +0 0.36135522 +0
C 0.23003621 +0 1.01992670 +0 1.43806480 +0
H -0.65769985 +0 1.43932908 +0 -0.59455798 +0
H 0.64799386 +0 0.82298884 +0 2.39364728 +0