C,1,54.7,s,
O,2,,,
C,3,152.3,s,
C,4,95.8,s,
C,5,111.3,s,
C,6,132.3,s,
C,7,60.7,s,
C,8,29.5,s,
C,9,127.6,s,
C,10,119.1,s,
C,11,112.9,s,
C,12,142.7,s,
O,13,,,
C,14,56.2,s,
C,15,144.6,s,
C,16,133.1,s,
C,17,46.0,s,
C,18,37.0,s,
C,19,46.0,s,
N,20,,,
C,21,42.3,s,
C,22,89.0,s,
O,23,,,
H,24,3.67,s,
H,25,3.67,s,
H,26,3.67,s,
H,27,6.73,d,4.9
H,28,6.88,d,4.9
H,29,4.58,dd,"6.0,1.6"
H,30,3.01,dd,"15.4,1.6"
H,31,3.01,dd,"15.4,6.0"
H,32,6.62,d,7.8
H,33,6.53,d,7.8
H,34,3.87,s,
H,35,3.87,s,
H,36,3.87,s,
H,37,2.18,ddd,"12.4,6.5,1.6"
H,38,2.18,ddd,"12.4,11.6,6.9"
H,39,2.58,ddd,"12.4,6.9,1.6"
H,40,2.58,ddd,"12.4,11.6,6.5"
H,41,2.35,s,
H,42,2.35,s,
H,43,2.35,s,
H,44,4.52,s,
