24
betaTT conformer from Barrows JCC 1998 19 1111
O   0.00000000    0.00000000    0.00000000
C   1.42206911    0.00000000    0.00000000
C   1.94054668    1.43794307    0.00000000
C   1.37961156    2.17732117    1.20763214
C  -0.14418812    2.07579937    1.24713599
C  -0.56733054    0.60424045    1.17603849
O   1.88057121   -0.60698098   -1.16919794
O   3.35687411    1.49469427    0.09224424
O   1.71205859    3.55885766    1.19143441
O  -0.65929893    2.63265723    2.44428805
C  -2.07401223    0.40450603    1.06548559
O  -2.75047058    0.96280786    2.17711465
H   1.78635428   -0.52881353    0.89989501
H  -3.69031623    0.79080677    2.02318861
H   1.57944471    1.91628805   -0.92268645
H   1.77898264    1.70094801    2.11857341
H  -0.54470527    2.60004294    0.36382693
H  -0.20301905    0.08000460    2.07370827
H  -2.28239422   -0.67275772    0.96168316
H  -2.43802565    0.90926188    0.16785457
H   3.60287639    2.43023811    0.08620908
H   1.35203895    3.94077962    2.00452063
H  -1.62215959    2.54596255    2.38834114
H   2.84724669   -0.60152058   -1.15867984
