Accuracy
rep739sys051g03pt100ab
665 rep739sys051g03pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys051g03pt100ab
H=2.298+rep739sys051g03pt100a+rep739sys051g03pt100b HR=NCIA HWT=10
C -2.15572285 +0 0.00000000 +0 -2.10000000 +0
I 0.00000000 +1 0.00000000 +0 -2.10000000 +0
H -2.47911693 +0 1.03349130 +1 -2.10000000 +0
H -2.47994031 +0 -0.51585728 +0 -2.99503257 +0
H -2.47988418 +0 -0.51634673 +0 -1.20631410 +0
H -0.96828686 +0 0.00013074 +0 2.28300925 +0
H 0.96887230 +0 -0.00013082 +0 2.28356985 +0
S 0.00000000 +0 0.00000000 +0 1.35579000 +0