Accuracy
rep739sys023g01pt100ab
467 rep739sys023g01pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys023g01pt100ab
H=1.833+rep739sys023g01pt100a+rep739sys023g01pt100b HR=NCIA HWT=10
C -1.26483438 +0 0.00000000 +0 -1.40000000 +0
F 0.00000000 +1 0.00000000 +0 -1.40000000 +0
N -2.41546961 +0 0.00074570 +1 -1.40000000 +0
C 0.00000000 +0 0.00000000 +0 1.15905000 +0
C 0.69599080 +0 -1.20531814 +0 1.15905000 +0
C 2.08672932 +0 -1.20471314 +0 1.15905000 +0
C 2.78135179 +0 -0.00011678 +0 1.15857671 +0
C 2.08621565 +0 1.20418987 +0 1.15907315 +0
C 0.69485487 +0 1.20425019 +0 1.15948564 +0
H -1.08185521 +0 -0.00047313 +0 1.15933690 +0
H 0.15451616 +0 -2.14147045 +0 1.15879367 +0
H 2.62698464 +0 -2.14171910 +0 1.15803349 +0
H 3.86320700 +0 0.00035635 +0 1.15828982 +0
H 2.62683563 +0 2.14135367 +0 1.15883305 +0
H 0.15287212 +0 2.14027941 +0 1.15947164 +0