Accuracy
rep739sys055g02pt100ab
684 rep739sys055g02pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys055g02pt100ab
H=2.366+rep739sys055g02pt100a+rep739sys055g02pt100b 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
C 1.99504628 +0 -0.00057980 +0 1.51788000 +0
I 0.00000000 +0 0.00000000 +0 1.51788000 +0
N 3.14846979 +0 -0.00011030 +0 1.51788000 +0