Accuracy
rep739sys017g10pt100ab
394 rep739sys017g10pt100ab
(Previous)
(Back)
(Next)
Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys017g10pt100ab
H=2.234+rep739sys017g10pt100a+rep739sys017g10pt100b HR=NCIA HWT=10
C 2.03699397 +0 0.03791716 +0 -2.75531345 +0
C 1.52599397 +1 0.35191716 +0 -4.13231345 +0
C 3.50699396 +0 -0.25908284 +1 -2.67831345 +0
H 1.71399397 +0 -0.49308284 +0 -4.80031345 +0
H 3.75199397 +0 -1.10408284 +0 -3.32931345 +0
H 2.07299397 +0 1.20091716 +0 -4.55131345 +0
H 0.46399397 +0 0.57391716 +0 -4.12531345 +0
H 3.81999397 +0 -0.48508284 +0 -1.66331345 +0
H 4.08099397 +0 0.59291716 +0 -3.05331345 +0
S 1.06999397 +0 0.01991716 +0 -1.44731345 +0
C -0.68660918 +0 -0.01278073 +0 0.92873300 +0
C -0.08692059 +0 1.07592047 +0 1.38706289 +0
H -1.55585584 +0 0.04333971 +0 0.28687417 +0
H -0.33280800 +0 -1.00433261 +0 1.17812146 +0
H -0.44072176 +0 2.06747235 +0 1.13767444 +0
H 0.78143100 +0 1.02024465 +0 2.02895597 +0