Accuracy
rep739sys018g20pt100ab
420 rep739sys018g20pt100ab
(Previous)
(Back)
(Next)
Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys018g20pt100ab
H=2.511+rep739sys018g20pt100a+rep739sys018g20pt100b 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 -1.28989363 +0 0.56515789 +0 -1.62182487 +0
C -2.12677570 +0 1.49305377 +0 -2.23009342 +0
C -2.33630678 +0 2.71140418 +0 -1.59760942 +0
C -1.69983965 +0 2.94815488 +0 -0.38663597 +0
C -0.88191944 +0 1.95439043 +0 0.13847141 +0
N -0.67332039 +0 0.78095541 +0 -0.46001643 +0
H -1.10526301 +0 -0.39595387 +0 -2.08985449 +0
H -2.60032637 +0 1.26243217 +0 -3.17440293 +0
H -2.98062929 +0 3.45936789 +0 -2.03947115 +0
H -1.83207484 +0 3.88116763 +0 0.14286857 +0
H -0.37063791 +0 2.10709121 +0 1.08192818 +0