Accuracy
rep739sys018g19pt100ab
419 rep739sys018g19pt100ab
(Previous)
(Back)
(Next)
Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys018g19pt100ab
H=1.268+rep739sys018g19pt100a+rep739sys018g19pt100b HR=NCIA HWT=10
C 2.71040067 +0 -1.25299136 +0 1.25435362 +0
C 3.06940067 +1 -2.47199136 +0 1.75335362 +0
C 2.00440067 +0 -3.41299136 +1 1.71335362 +0
C 0.86040067 +0 -2.88899136 +0 1.18535362 +0
H -0.08959933 +0 -3.37399136 +0 1.03735362 +0
H 2.08540067 +0 -4.43199136 +0 2.06135362 +0
H 3.31340067 +0 -0.36599136 +0 1.16535362 +0
H 4.05540067 +0 -2.69099136 +0 2.13535362 +0
S 1.07340067 +0 -1.24499136 +0 0.73335362 +0
C 0.48887836 +0 1.11143664 +0 -1.35137718 +0
H 0.09205211 +0 1.90622555 +0 -1.97749259 +0
H 0.75040506 +0 0.25030817 +0 -1.95464457 +0
H 1.31766841 +0 1.47685778 +0 -0.75645328 +0
N -0.61289985 +0 0.71087623 +0 -0.41873677 +0
O -0.68922548 +0 1.30734711 +0 0.64015978 +0
O -1.37037300 +0 -0.16478921 +0 -0.79662230 +0