C,1,16.13,s,
C,2,38.34,s,
C,3,27.0,s,
C,4,25.98,s,
C,5,135.72,s,
C,6,148.07,s,
C,7,,,
O,8,,,
C,9,44.96,s,
C,10,71.11,s,
O,11,,,
C,12,47.92,s,
C,13,75.7,s,
C,14,30.15,s,
C,15,30.15,s,
O,16,,,
C,17,52.99,s,
C,18,23.2,s,
H,19,0.99,d,6.6
H,20,0.99,d,6.6
H,21,0.99,d,6.6
H,22,1.94,ddq,"11.6,7.0,6.6"
H,23,1.37,m,
H,24,2.0,m,
H,25,1.47,m,
H,26,2.12,m,
H,27,6.65,dd,"5.2,2.6"
H,28,2.39,dd,"15.4,10.1"
H,29,2.42,dd,"15.4,3.1"
H,30,4.12,ddd,"10.1,7.6,3.1"
H,31,,,
H,32,2.58,d,7.6
H,33,1.13,s,
H,34,1.13,s,
H,35,1.13,s,
H,36,1.13,s,
H,37,1.13,s,
H,38,1.13,s,
H,39,,,
H,40,0.71,s,
H,41,0.71,s,
H,42,0.71,s,
