Accuracy
rep739sys003g10pt100ab
195 rep739sys003g10pt100ab
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Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys003g10pt100ab
H=1.673+rep739sys003g10pt100a+rep739sys003g10pt100b 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 1.29617762 +0 0.00013667 +0 -0.00010123 +0
H 2.38394276 +0 0.00013667 +0 -0.00010123 +0
H 0.93382735 +0 -0.29903725 +0 0.98150676 +0
H 0.93294664 +0 0.99818887 +0 -0.23145392 +0
H 0.93353224 +0 -0.70067475 +0 -0.74892476 +0