C,1,55.95,s,
O,2,,,
C,3,148.2,s,
C,4,110.5,s,
C,5,129.35,s,
C,6,123.4,s,
C,7,111.2,s,
C,8,147.6,s,
O,9,,,
C,10,56.05,s,
C,11,116.6,s,
C,12,141.7,s,
C,13,146.6,s,
C,14,106.1,s,
C,15,127.53,s,
C,16,125.36,s,
C,17,60.72,s,
C,18,36.04,s,
N,19,,,
C,20,161.74,s,
O,21,,,
C,22,49.76,s,
C,23,28.2,s,
O,24,,,
C,25,100.2,s,
O,26,,,
H,27,3.8,s,
H,28,3.8,s,
H,29,3.8,s,
H,30,6.76,d,0.5
H,31,7.96,d,0.5
H,32,3.8,s,
H,33,3.8,s,
H,34,3.8,s,
H,35,6.68,s,
H,36,4.48,dd,"10.4,9.2"
H,37,3.15,dd,"15.4,9.2"
H,38,3.15,dd,"15.4,10.4"
H,39,8.38,s,
H,40,4.4,ddd,"12.4,4.2,1.9"
H,41,4.4,ddd,"13.7,12.4,2.8"
H,42,2.85,ddd,"15.4,13.7,1.9"
H,43,2.85,ddd,"15.4,4.2,2.8"
H,44,5.88,s,
H,45,5.88,s,
