Accuracy
rep739sys015g02pt100ab
364 rep739sys015g02pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys015g02pt100ab
H=2.666+rep739sys015g02pt100a+rep739sys015g02pt100b HR=NCIA HWT=10
H 2.62999732 +0 0.71779182 +0 -1.38916413 +0
H 2.35199732 +1 1.93979182 +0 0.25283587 +0
H 3.01699732 +0 0.00079182 +1 0.50883587 +0
P 1.93999732 +0 0.64479182 +0 -0.15216413 +0
C -2.98025630 +0 0.42037395 +0 0.78620607 +0
C -2.14317823 +0 -1.97257038 +0 -0.32535443 +0
H -3.89755815 +0 -0.16396949 +0 0.75512460 +0
H -1.48597431 +0 -2.71814398 +0 -0.75465620 +0
H -3.18177020 +0 -2.26281988 +0 -0.22147492 +0
H -3.11941090 +0 1.33735135 +0 0.21171720 +0
H -2.77804958 +0 0.71689247 +0 1.81706989 +0
P -1.51785390 +0 -0.50448512 +0 0.11905321 +0