C,1,63.4,s,
O,2,,,
N,3,,,
C,4,174.7,s,
O,5,,,
C,6,53.0,s,
C,7,38.34,s,
C,8,55.8,s,
N,9,,,
C,10,162.36,s,
O,11,,,
C,12,40.4,s,
C,13,38.77,s,
C,14,63.9,s,
O,15,,,
C,16,76.9,s,
C,17,79.25,s,
O,18,,,
C,19,169.84,s,
C,20,21.01,s,
O,21,,,
C,22,132.0,s,
C,23,125.5,s,
C,24,123.7,s,
C,25,128.1,s,
C,26,107.2,s,
C,27,138.3,s,
H,28,3.73,s,
H,29,3.73,s,
H,30,3.73,s,
H,31,2.15,dd,"12.4,2.9"
H,32,2.15,dd,"12.4,3.9"
H,33,3.49,ddd,"8.0,3.9,2.9"
H,34,,,
H,35,2.83,dd,"6.7,0.8"
H,36,2.27,m,
H,37,4.04,dd,"9.4,4.6"
H,38,4.04,dd,"9.4,1.6"
H,39,4.77,d,2.2
H,40,4.66,dd,"2.2,0.8"
H,41,2.03,s,
H,42,2.03,s,
H,43,2.03,s,
H,44,7.25,ddd,"7.9,1.4,0.5"
H,45,6.94,ddd,"7.9,7.2,1.4"
H,46,7.23,ddd,"7.2,6.7,1.4"
H,47,7.14,ddd,"6.7,1.4,0.5"
