Accuracy
rep739sys017g04pt100ab
388 rep739sys017g04pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys017g04pt100ab
H=1.910+rep739sys017g04pt100a+rep739sys017g04pt100b HR=NCIA HWT=10
C -1.70000000 +0 0.00000000 +0 0.00000000 +0
H -2.78776514 +1 0.00000000 +0 0.00000000 +0
H -1.33764972 +0 1.02618677 +1 0.00000000 +0
H -1.33676902 +0 -0.51227405 +0 0.88724718 +0
H -1.33735462 +0 -0.51197956 +0 -0.88867894 +0
H 2.27489915 +0 -0.77888290 +0 0.57686865 +0
H 2.27627562 +0 0.77781301 +0 -0.57607625 +0
S 1.34808780 +0 -0.00045626 +0 0.00033792 +0