Accuracy
rep739sys017g02pt100ab
386 rep739sys017g02pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys017g02pt100ab
H=2.349+rep739sys017g02pt100a+rep739sys017g02pt100b 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 -0.23299029 +0 1.20269599 +0 0.34991611 +0
C 0.28861605 +0 0.95675159 +0 1.54256072 +0
H 0.37161068 +0 1.55937851 +0 -0.47346549 +0
H -1.28630369 +0 1.05823538 +0 0.14939926 +0
H 1.34192946 +0 1.10121219 +0 1.74307756 +0
H -0.31534821 +0 0.60082471 +0 2.36578865 +0