C,1,13.56,s,
C,2,67.12,s,
O,3,,,
C,4,,,
S,5,,,
C,6,151.06,s,
N,7,,,
C,8,65.0,s,
C,9,139.29,s,
C,10,125.95,s,
C,11,114.5,s,
C,12,157.92,s,
O,13,,,
C,14,99.8,s,
O,15,,,
C,16,69.6,s,
C,17,17.7,s,
C,18,75.1,s,
O,19,,,
C,20,171.0,s,
C,21,20.83,s,
O,22,,,
C,23,70.1,s,
O,24,,,
C,25,71.8,s,
O,26,,,
C,27,114.5,s,
C,28,125.95,s,
H,29,1.36,t,6.7
H,30,1.36,t,6.7
H,31,1.36,t,6.7
H,32,4.54,q,6.7
H,33,4.54,q,6.7
H,34,7.72,s,
H,35,4.63,s,
H,36,4.63,s,
H,37,7.0,ddd,"8.7,1.9,0.5"
H,38,6.98,ddd,"8.7,1.9,0.5"
H,39,5.55,d,6.5
H,40,4.07,dq,"10.0,6.1"
H,41,1.24,d,6.1
H,42,1.24,d,6.1
H,43,1.24,d,6.1
H,44,5.2,dd,"10.0,1.3"
H,45,2.1,s,
H,46,2.1,s,
H,47,2.1,s,
H,48,4.53,dd,"3.7,1.3"
H,49,,,
H,50,3.81,dd,"6.5,3.7"
H,51,,,
H,52,6.98,ddd,"7.9,1.9,0.5"
H,53,7.0,ddd,"7.9,1.9,0.5"
