C,1,20.34,s,
C,2,73.36,s,
C,3,32.44,s,
C,4,25.46,s,
C,5,28.74,s,
C,6,29.03,s,
C,7,29.26,s,
C,8,29.61,s,
C,9,130.56,s,
C,10,130.52,s,
C,11,29.95,s,
C,12,24.83,s,
C,13,34.5,s,
C,14,175.5,s,
O,15,,,
O,16,,,
H,17,1.12,d,6.1
H,18,1.12,d,6.1
H,19,1.12,d,6.1
H,20,4.89,qdd,"6.1,4.3,3.0"
H,21,1.52,m,
H,22,1.52,m,
H,23,1.21,m,
H,24,1.21,m,
H,25,1.26,m,
H,26,1.26,m,
H,27,1.29,m,
H,28,1.29,m,
H,29,1.31,m,
H,30,1.31,m,
H,31,2.02,m,
H,32,2.02,m,
H,33,5.34,ddd,"11.0,5.5,4.3"
H,34,5.33,ddd,"11.1,11.0,4.1"
H,35,1.96,m,
H,36,1.96,m,
H,37,1.65,m,
H,38,1.65,m,
H,39,2.34,ddd,"15.4,11.2,2.1"
H,40,2.34,ddd,"15.4,6.8,1.5"
