Accuracy
rep739sys019g04pt100ab
424 rep739sys019g04pt100ab
(Previous)
(Back)
(Next)
Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys019g04pt100ab
H=2.211+rep739sys019g04pt100a+rep739sys019g04pt100b HR=NCIA HWT=10
C 0.17069249 +0 -0.41561903 +0 -3.27212031 +0
H -0.26030751 +1 -1.29361903 +0 -3.74412031 +0
H 1.49569249 +0 -1.71261903 +1 -1.75112031 +0
H 1.03669249 +0 -0.07161903 +0 -3.83212031 +0
H -0.57430751 +0 0.37638097 +0 -3.25812031 +0
S 0.59569249 +0 -0.74161903 +0 -1.52812031 +0
C -1.52527549 +0 0.16947279 +0 1.46558091 +0
C -1.63688675 +0 0.90480029 +0 2.59746271 +0
C -0.42650689 +0 1.66462045 +0 2.70050117 +0
C 0.32127747 +0 1.32904279 +0 1.62241389 +0
H 1.29102768 +0 1.63119193 +0 1.27146599 +0
H -0.15749621 +0 2.36225262 +0 3.47352226 +0
H -2.16726730 +0 -0.53937719 +0 0.97678727 +0
H -2.47109007 +0 0.90999052 +0 3.27596907 +0
O -0.33360633 +0 0.41532973 +0 0.85579491 +0