Accuracy
rep739sys023g04pt100ab
470 rep739sys023g04pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys023g04pt100ab
H=1.512+rep739sys023g04pt100a+rep739sys023g04pt100b 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
C 0.96559492 +0 1.01593909 +0 -0.75275856 +0
F 0.96506221 +0 -0.00032663 +0 0.00024191 +0
N 0.96607953 +0 1.94089233 +0 -1.43717310 +0