C,1,19.45,s,
C,2,37.25,s,
C,3,33.9,s,
C,4,24.77,s,
C,5,46.95,s,
C,6,40.4,s,
C,7,18.87,s,
C,8,99.79,s,
O,9,,,
O,10,,,
C,11,99.28,s,
O,12,,,
C,13,105.25,s,
C,14,24.98,s,
C,15,35.65,s,
C,16,24.63,s,
C,17,49.75,s,
C,18,77.48,s,
O,19,,,
O,20,,,
H,21,1.0,d,6.5
H,22,1.0,d,6.5
H,23,1.0,d,6.5
H,24,1.42,m,
H,25,1.42,m,
H,26,1.42,m,
H,27,1.48,m,
H,28,1.48,m,
H,29,2.13,ddd,"12.0,4.0,3.9"
H,30,2.83,qdd,"6.6,4.0,3.0"
H,31,1.03,d,6.6
H,32,1.03,d,6.6
H,33,1.03,d,6.6
H,34,5.2,d,3.0
H,35,,,
H,36,5.59,s,
H,37,1.44,s,
H,38,1.44,s,
H,39,1.44,s,
H,40,2.24,ddd,"12.7,12.4,6.0"
H,41,2.24,ddd,"12.4,7.0,1.7"
H,42,1.74,tdd,"12.7,12.4,7.0"
H,43,1.74,m,
H,44,1.38,ddd,"12.7,7.2,3.5"
