Accuracy
rep739sys012g05pt100ab
328 rep739sys012g05pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys012g05pt100ab
H=2.717+rep739sys012g05pt100a+rep739sys012g05pt100b 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 -1.05233025 +0 -0.34976024 +0 0.08253976 +0
C -1.00394240 +0 -0.16984401 +0 1.46184530 +0
C -1.36684108 +0 1.05286575 +0 2.01631748 +0
C -1.77739394 +0 2.09522263 +0 1.19261155 +0
C -1.82628157 +0 1.91553910 +0 -0.18539165 +0
C -1.46373785 +0 0.69239101 +0 -0.74068959 +0
H -0.77030247 +0 -1.30099704 +0 -0.34876046 +0
H -0.68386044 +0 -0.98116476 +0 2.10128425 +0
H -1.32805324 +0 1.19234516 +0 3.08818408 +0
H -2.05942172 +0 3.04645944 +0 1.62391176 +0
H -2.14586375 +0 2.72662715 +0 -0.82613294 +0
H -1.50091353 +0 0.55136729 +0 -1.81242942 +0