C,1,17.2,s,
C,2,47.83,s,
N,3,,,
C,4,172.18,s,
O,5,,,
C,6,61.1,s,
C,7,31.6,s,
C,8,26.5,s,
C,9,47.6,s,
N,10,,,
C,11,174.9,s,
O,12,,,
O,13,,,
H,14,1.32,d,6.6
H,15,1.32,d,6.6
H,16,1.32,d,6.6
H,17,4.14,q,6.6
H,18,,,
H,19,3.57,dd,"12.3,4.4"
H,20,2.2,m,
H,21,2.2,tdd,"12.4,12.3,7.4"
H,22,1.75,m,
H,23,1.75,m,
H,24,2.99,ddd,"11.0,9.4,3.9"
H,25,3.4,ddd,"10.7,9.4,5.8"
H,26,,,
H,27,,,
