C,1,13.45,s,
C,2,61.07,s,
O,3,,,
C,4,62.8,s,
C,5,30.5,s,
C,6,40.01,s,
C,7,15.9,s,
C,8,74.35,s,
C,9,25.14,s,
O,10,,,
C,11,179.2,s,
O,12,,,
O,13,,,
C,14,60.9,s,
C,15,138.16,s,
C,16,125.17,s,
C,17,50.97,s,
N,18,,,
C,19,44.23,s,
C,20,49.76,s,
C,21,31.28,s,
C,22,78.42,s,
O,23,,,
C,24,172.75,s,
O,25,,,
C,26,197.18,s,
O,27,,,
H,28,1.18,d,6.2
H,29,1.18,d,6.2
H,30,1.18,d,6.2
H,31,4.52,q,6.2
H,32,2.05,dd,"12.4,4.8"
H,33,2.05,dd,"12.4,3.4"
H,34,1.93,qdd,"6.6,4.8,3.4"
H,35,1.0,d,6.6
H,36,1.0,d,6.6
H,37,1.0,d,6.6
H,38,1.47,s,
H,39,1.47,s,
H,40,1.47,s,
H,41,,,
H,42,4.78,s,
H,43,4.78,s,
H,44,5.85,dd,"4.8,2.8"
H,45,4.04,dd,"15.4,2.8"
H,46,4.04,dd,"15.4,4.8"
H,47,2.4,s,
H,48,2.4,s,
H,49,2.4,s,
H,50,3.34,ddd,"12.4,10.4,0.9"
H,51,3.34,ddd,"12.4,8.9,1.1"
H,52,2.08,m,
H,53,2.08,m,
H,54,4.87,dd,"9.5,4.0"
