C,1,53.1,s,
O,2,,,
C,3,153.4,s,
O,4,,,
N,5,,,
C,6,134.5,s,
C,7,129.8,s,
C,8,118.2,s,
C,9,111.07,s,
C,10,148.66,s,
C,11,137.53,s,
O,12,,,
C,13,101.47,s,
O,14,,,
C,15,59.2,s,
C,16,71.28,s,
N,17,,,
C,18,46.5,s,
C,19,21.02,s,
C,20,29.04,s,
C,21,35.12,s,
C,22,35.28,s,
C,23,34.93,s,
C,24,61.74,s,
C,25,77.48,s,
O,26,,,
C,27,46.67,s,
C,28,,,
O,29,,,
C,30,54.8,s,
C,31,53.0,s,
H,32,3.74,s,
H,33,3.74,s,
H,34,3.74,s,
H,35,7.56,d,6.6
H,36,6.84,d,6.6
H,37,5.94,s,
H,38,5.94,s,
H,39,2.67,s,
H,40,2.66,ddd,"12.4,5.6,2.3"
H,41,2.66,ddd,"12.8,12.4,5.0"
H,42,1.61,m,
H,43,1.61,m,
H,44,1.58,ddd,"12.4,10.9,8.9"
H,45,1.58,ddd,"12.4,7.6,1.3"
H,46,1.72,ddd,"12.4,11.7,4.5"
H,47,1.72,ddd,"12.4,11.9,3.9"
H,48,1.99,ddd,"12.4,11.7,3.9"
H,49,1.99,ddd,"12.4,11.9,4.5"
H,50,,,
H,51,2.06,s,
H,52,2.06,s,
H,53,2.83,dd,"9.7,1.4"
H,54,3.31,dd,"9.4,1.4"
H,55,3.31,dd,"9.7,9.4"
