C,1,55.95,s,
O,2,,,
C,3,147.7,s,
C,4,111.3,s,
C,5,128.5,s,
C,6,128.6,s,
C,7,109.0,s,
C,8,147.3,s,
O,9,,,
C,10,55.78,s,
C,11,63.1,s,
C,12,38.4,s,
C,13,18.4,s,
C,14,135.1,s,
C,15,124.1,s,
C,16,107.3,s,
C,17,145.4,s,
C,18,142.8,s,
C,19,122.75,s,
C,20,54.5,s,
N,21,,,
C,22,51.5,s,
C,23,29.4,s,
O,24,,,
C,25,101.1,s,
O,26,,,
H,27,3.8,s,
H,28,3.8,s,
H,29,3.8,s,
H,30,6.55,d,0.5
H,31,6.64,d,0.5
H,32,3.8,s,
H,33,3.8,s,
H,34,3.8,s,
H,35,4.83,d,11.1
H,36,3.91,dq,"11.1,6.7"
H,37,1.66,d,6.7
H,38,1.66,d,6.7
H,39,1.66,d,6.7
H,40,7.03,d,6.5
H,41,6.84,d,6.5
H,42,4.25,s,
H,43,4.25,s,
H,44,3.29,ddd,"13.4,12.4,3.8"
H,45,3.29,dt,"12.4,3.0"
H,46,3.09,ddd,"15.4,3.8,3.0"
H,47,3.09,ddd,"15.4,13.4,3.0"
H,48,5.88,s,
H,49,5.88,s,
