Accuracy
rep739sys024g01pt100ab
475 rep739sys024g01pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys024g01pt100ab
H=1.881+rep739sys024g01pt100a+rep739sys024g01pt100b HR=NCIA HWT=10
C -1.26483438 +0 0.00000000 +0 -1.40000000 +0
F 0.00000000 +1 0.00000000 +0 -1.40000000 +0
N -2.41546961 +0 0.00074570 +1 -1.40000000 +0
N 0.00000000 +0 0.00000000 +0 1.02970000 +0
H 0.91246955 +0 0.23243280 +0 1.40288670 +0
H -0.25456625 +0 -0.90558888 +0 1.40259516 +0
H -0.65682094 +0 0.67315586 +0 1.40215327 +0