Accuracy
rep739sys007g07pt100ab
254 rep739sys007g07pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys007g07pt100ab
H=2.148+rep739sys007g07pt100a+rep739sys007g07pt100b 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 -0.65181296 +0 0.27298150 +1 -1.55989427 +0
O -0.19177217 +0 0.08031484 +0 -0.45894194 +0
C -1.93130837 +0 1.05919243 +0 -1.76122205 +0
C 0.01914693 +0 -0.25842973 +0 -2.80864602 +0
H -2.68527392 +0 0.42893898 +0 -2.23864591 +0
H -0.66951137 +0 -0.89336278 +0 -3.36962264 +0
H -1.75735762 +0 1.90463645 +0 -2.42978285 +0
H -2.30557012 +0 1.41502919 +0 -0.80662981 +0
H 0.90708015 +0 -0.82634324 +0 -2.54315996 +0
H 0.29579310 +0 0.56711071 +0 -3.46708271 +0