C,1,18.87,s,
C,2,40.4,s,
C,3,172.96,s,
O,4,,,
O,5,,,
C,6,88.23,s,
C,7,18.37,s,
C,8,48.79,s,
C,9,21.15,s,
C,10,174.33,s,
O,11,,,
O,12,,,
C,13,62.75,s,
C,14,133.19,s,
C,15,127.86,s,
C,16,61.41,s,
N,17,,,
C,18,53.64,s,
C,19,35.76,s,
C,20,70.44,s,
O,21,,,
C,22,78.06,s,
H,23,1.03,d,6.8
H,24,1.03,d,6.8
H,25,1.03,d,6.8
H,26,2.83,q,6.8
H,27,4.52,q,6.3
H,28,1.31,d,6.3
H,29,1.31,d,6.3
H,30,1.31,d,6.3
H,31,1.54,s,
H,32,1.54,s,
H,33,1.54,s,
H,34,4.63,s,
H,35,4.63,s,
H,36,5.86,dd,"5.1,2.6"
H,37,3.72,dd,"9.4,5.1"
H,38,3.72,dd,"9.4,2.6"
H,39,3.05,ddd,"10.6,9.4,6.9"
H,40,3.05,ddd,"10.9,9.4,3.0"
H,41,2.0,m,
H,42,2.0,m,
H,43,4.22,ddd,"10.5,7.2,5.3"
H,44,,,
H,45,4.58,d,5.3
