24
betaTT' conformer from Barrows JCC 1998 19 1111
O   0.00000000    0.00000000    0.00000000
C   1.41212108    0.00000000    0.00000000
C   1.93049764    1.44052151    0.00000000
C   1.40719716    2.16021038    1.23052207
C  -0.11716471    2.08648897    1.27374767
C  -0.56565885    0.61195086    1.15231428
O   1.79499888   -0.68487491   -1.15397522
O   3.34938633    1.37094762   -0.02437529
O   1.87753740    3.50004717    1.18696245
O  -0.51516572    2.68709953    2.49622614
C  -2.07564642    0.46653750    0.97186633
O  -2.71624172    1.11429511    2.07468459
H   1.78243920   -0.51160654    0.91119559
H  -3.67052931    1.09067646    1.93907414
H   1.54614464    1.93826735   -0.90327907
H   1.79185211    1.65141846    2.13043155
H  -0.51666595    2.64359343    0.40868189
H  -0.25642310    0.08418677    2.07022651
H  -2.33620501   -0.59884096    0.92889149
H  -2.35539690    0.92884649    0.01512990
H   3.67470256    2.26915401    0.12882041
H   1.45834842    3.96034484    1.92805570
H  -1.45932566    2.48455720    2.60760340
H   1.42478397   -1.57585611   -1.06304032
