C,1,18.87,s,
C,2,40.4,s,
C,3,99.79,s,
O,4,,,
O,5,,,
C,6,99.28,s,
O,7,,,
C,8,105.25,s,
C,9,24.98,s,
C,10,35.65,s,
C,11,24.63,s,
C,12,49.75,s,
C,13,37.25,s,
C,14,19.45,s,
C,15,33.9,s,
C,16,24.77,s,
C,17,46.95,s,
C,18,77.48,s,
O,19,,,
O,20,,,
H,21,1.03,d,6.6
H,22,1.03,d,6.6
H,23,1.03,d,6.6
H,24,2.83,ddq,"11.6,9.3,6.6"
H,25,5.2,d,9.3
H,26,,,
H,27,5.59,s,
H,28,1.44,s,
H,29,1.44,s,
H,30,1.44,s,
H,31,2.24,ddd,"12.4,10.8,7.0"
H,32,2.24,ddd,"12.4,10.1,1.5"
H,33,1.74,m,
H,34,1.74,m,
H,35,1.38,ddd,"11.8,11.4,6.5"
H,36,1.42,m,
H,37,1.0,d,6.5
H,38,1.0,d,6.5
H,39,1.0,d,6.5
H,40,1.42,m,
H,41,1.42,m,
H,42,1.48,m,
H,43,1.48,m,
H,44,2.13,ddd,"12.3,11.6,6.0"
