C,1,122.07,s,
C,2,138.89,s,
C,3,166.77,s,
O,4,,,
O,5,,,
C,6,73.7,s,
C,7,34.5,s,
C,8,53.65,s,
N,9,,,
C,10,62.9,s,
C,11,128.4,s,
C,12,131.7,s,
C,13,62.66,s,
O,14,,,
C,15,172.75,s,
O,16,,,
C,17,77.48,s,
C,18,25.81,s,
O,19,,,
C,20,77.48,s,
C,21,51.58,s,
O,22,,,
C,23,42.37,s,
C,24,14.77,s,
C,25,75.5,s,
H,26,5.94,s,
H,27,5.94,s,
H,28,5.43,ddd,"11.8,10.5,4.3"
H,29,2.03,m,
H,30,2.03,m,
H,31,3.16,ddd,"9.4,8.7,1.0"
H,32,3.16,ddd,"11.5,9.4,9.1"
H,33,3.72,dd,"9.4,2.8"
H,34,3.72,dd,"9.4,5.0"
H,35,5.99,dd,"5.0,2.8"
H,36,4.63,s,
H,37,4.63,s,
H,38,1.47,s,
H,39,1.47,s,
H,40,1.47,s,
H,41,,,
H,42,2.79,s,
H,43,2.79,s,
H,44,3.44,q,6.9
H,45,1.33,d,6.9
H,46,1.33,d,6.9
H,47,1.33,d,6.9
H,48,4.38,d,10.5
