Accuracy
rep739sys002g10pt100ab
176 rep739sys002g10pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys002g10pt100ab
H=3.274+rep739sys002g10pt100a+rep739sys002g10pt100b HR=NCIA HWT=10
F 0.65549693 +0 -0.27452436 +0 1.56871061 +0
H 0.30449693 +1 -0.12752436 +0 0.72871061 +0
C -0.32162489 +0 0.13469760 +1 -0.76970058 +0
C -0.66081058 +0 -1.21190050 +0 -0.86362409 +0
C -1.90478088 +0 -1.64776371 +0 -0.42009827 +0
C -2.80896150 +0 -0.73830682 +0 0.11739460 +0
C -2.47049141 +0 0.60715545 +0 0.21087335 +0
C -1.22627795 +0 1.04390242 +0 -0.23305226 +0
H 0.64595075 +0 0.47379889 +0 -1.11498121 +0
H 0.04358562 +0 -1.91826724 +0 -1.28129384 +0
H -2.16735632 +0 -2.69450974 +0 -0.49244385 +0
H -3.77653713 +0 -1.07740811 +0 0.46267523 +0
H -3.17417201 +0 1.31465802 +0 0.62898785 +0
H -0.96153576 +0 2.09011204 +0 -0.16057462 +0