Accuracy
rep739sys008g09pt100ab
274 rep739sys008g09pt100ab
(Previous)
(Back)
(Next)
Geometry from http://www.nciatlas.org/
CHARGE=0
rep739sys008g09pt100ab
H=2.295+rep739sys008g09pt100a+rep739sys008g09pt100b HR=NCIA HWT=10
C 0.27832284 +0 -0.30312049 +0 -2.58374141 +0
H -0.09367716 +1 -1.18112049 +0 -3.11974141 +0
H 1.33932284 +0 -1.25712049 +1 -1.24474141 +0
H 1.11432284 +0 0.12587951 +0 -3.14274141 +0
H -0.51867716 +0 0.43487951 +0 -2.53774141 +0
O 0.63432284 +0 -0.60712049 +0 -1.24074141 +0
C -0.50626307 +0 0.48455245 +0 0.99025531 +0
C -0.90173608 +0 -0.78277446 +0 1.40820104 +0
C -0.05931711 +0 -1.54397594 +0 2.21135518 +0
C 1.17779738 +0 -1.03894642 +0 2.59612255 +0
C 1.57289517 +0 0.22736706 +0 2.17908906 +0
C 0.73037820 +0 0.98956323 +0 1.37590343 +0
H -1.16170204 +0 1.07680368 +0 0.36571608 +0
H -1.86389754 +0 -1.17460466 +0 1.10771741 +0
H -0.36681709 +0 -2.52915327 +0 2.53496973 +0
H 1.83323634 +0 -1.63119765 +0 3.22066178 +0
H 2.53543184 +0 0.62021069 +0 2.47866045 +0
H 1.03660043 +0 1.97455688 +0 1.05046306 +0