Accuracy
rep739sys024g06pt100ab
480 rep739sys024g06pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys024g06pt100ab
H=2.235+rep739sys024g06pt100a+rep739sys024g06pt100b HR=NCIA HWT=10
C -1.39018488 +0 0.00000000 +0 -1.40000000 +0
F 0.00000000 +1 0.00000000 +0 -1.40000000 +0
H -1.73996569 +0 1.03111366 +1 -1.40000000 +0
H -1.74059223 +0 -0.51575960 +0 -2.29279994 +0
H -1.74029443 +0 -0.51513681 +0 -0.50638354 +0
N 0.00000000 +0 0.00000000 +0 1.39210000 +0
C 1.40241746 +0 0.00024580 +0 1.80999858 +0
H -0.48439255 +0 -0.81201968 +0 1.74993362 +0
H 1.89990440 +0 0.87823093 +0 1.39832172 +0
H 1.89999563 +0 -0.87627513 +0 1.39465170 +0
H 1.56479889 +0 -0.00226562 +0 2.89449153 +0
H -0.48450114 +0 0.81189316 +0 1.75022588 +0