C,1,22.05,s,
C,2,34.2,s,
C,3,33.4,s,
C,4,25.3,s,
C,5,41.1,s,
C,6,,,
O,7,,,
C,8,49.95,s,
H,9,0.99,d,6.4
H,10,0.99,d,6.4
H,11,0.99,d,6.4
H,12,1.93,m,
H,13,1.29,m,
H,14,1.29,m,
H,15,1.87,m,
H,16,1.87,m,
H,17,2.32,ddd,"15.4,7.7,1.6"
H,18,2.32,ddd,"15.4,11.8,8.3"
H,19,2.74,dd,"15.4,11.6"
H,20,2.74,dd,"15.4,5.2"
