C,1,15.9,s,
C,2,40.01,s,
C,3,29.0,s,
C,4,28.16,s,
C,5,46.95,s,
C,6,42.36,s,
C,7,15.05,s,
C,8,75.7,s,
O,9,,,
C,10,35.12,s,
C,11,43.82,s,
C,12,37.71,s,
C,13,82.84,s,
O,14,,,
C,15,81.82,s,
C,16,25.61,s,
C,17,25.61,s,
H,18,1.0,d,6.6
H,19,1.0,d,6.6
H,20,1.0,d,6.6
H,21,1.93,qdd,"6.6,5.4,1.0"
H,22,1.58,m,
H,23,1.58,m,
H,24,1.58,m,
H,25,1.58,m,
H,26,2.13,ddd,"9.5,6.9,2.4"
H,27,2.01,ddq,"7.3,6.9,6.6"
H,28,0.99,d,6.6
H,29,0.99,d,6.6
H,30,0.99,d,6.6
H,31,3.8,ddd,"11.6,7.3,2.7"
H,32,,,
H,33,1.88,ddd,"12.4,11.6,4.1"
H,34,1.88,ddd,"12.4,10.7,2.7"
H,35,1.63,m,
H,36,1.96,dd,"12.4,4.9"
H,37,1.96,dd,"12.4,0.5"
H,38,1.34,s,
H,39,1.34,s,
H,40,1.34,s,
H,41,1.34,s,
H,42,1.34,s,
H,43,1.34,s,
