C,1,53.9,s,
O,2,,,
C,3,87.7,s,
C,4,24.4,s,
C,5,28.8,s,
C,6,175.1,s,
O,7,,,
N,8,,,
C,9,86.5,s,
C,10,127.4,s,
C,11,134.3,s,
C,12,58.7,s,
O,13,,,
C,14,160.0,s,
O,15,,,
C,16,121.5,s,
C,17,115.6,s,
C,18,110.21,s,
C,19,123.53,s,
N,20,,,
C,21,74.5,s,
O,22,,,
H,23,3.32,s,
H,24,3.32,s,
H,25,3.32,s,
H,26,6.07,dd,"10.3,7.8"
H,27,2.05,m,
H,28,2.05,m,
H,29,2.39,ddd,"18.4,10.9,2.4"
H,30,2.39,ddd,"18.4,10.5,8.9"
H,31,5.3,d,2.6
H,32,4.85,d,2.6
H,33,4.93,s,
H,34,4.93,s,
H,35,7.31,dd,"4.9,1.4"
H,36,6.33,dd,"4.9,2.6"
H,37,6.94,dd,"2.6,1.4"
H,38,,,
H,39,4.78,s,
H,40,4.78,s,
