C,1,13.99,s,
C,2,76.98,s,
O,3,,,
C,4,71.31,s,
C,5,77.48,s,
C,6,30.5,s,
C,7,78.7,s,
O,8,,,
C,9,172.75,s,
O,10,,,
O,11,,,
C,12,76.6,s,
C,13,34.8,s,
C,14,53.65,s,
N,15,,,
C,16,62.9,s,
C,17,128.4,s,
C,18,131.7,s,
C,19,62.66,s,
O,20,,,
C,21,172.75,s,
O,22,,,
C,23,77.48,s,
C,24,25.81,s,
O,25,,,
C,26,75.5,s,
H,27,1.46,d,6.2
H,28,1.46,d,6.2
H,29,1.46,d,6.2
H,30,5.02,q,6.2
H,31,4.31,s,
H,32,4.31,s,
H,33,2.51,s,
H,34,2.51,s,
H,35,,,
H,36,5.43,ddd,"11.6,4.1,3.3"
H,37,2.03,m,
H,38,2.03,m,
H,39,3.16,ddd,"9.4,7.2,0.5"
H,40,3.16,ddd,"12.8,9.4,8.0"
H,41,3.72,dd,"9.4,2.7"
H,42,3.72,dd,"9.4,4.8"
H,43,5.99,dd,"4.8,2.7"
H,44,4.63,s,
H,45,4.63,s,
H,46,1.68,s,
H,47,1.68,s,
H,48,1.68,s,
H,49,4.38,d,3.3
