C,1,55.87,s,
O,2,,,
C,3,147.12,s,
C,4,111.14,s,
C,5,126.45,s,
C,6,146.45,s,
C,7,44.0,s,
C,8,144.6,s,
C,9,128.27,s,
C,10,193.08,s,
O,11,,,
C,12,43.48,s,
C,13,64.27,s,
N,14,,,
C,15,42.3,s,
C,16,53.7,s,
C,17,44.0,s,
C,18,110.99,s,
C,19,148.51,s,
O,20,,,
C,21,55.91,s,
H,22,3.85,s,
H,23,3.85,s,
H,24,3.85,s,
H,25,6.66,dd,"7.4,0.5"
H,26,7.1,dd,"7.4,1.9"
H,27,6.3,d,9.6
H,28,6.72,d,9.6
H,29,2.76,dd,"15.4,12.5"
H,30,2.76,dd,"15.4,5.6"
H,31,3.78,dd,"12.5,5.6"
H,32,2.35,s,
H,33,2.35,s,
H,34,2.35,s,
H,35,3.34,ddd,"10.8,9.4,6.7"
H,36,3.34,ddd,"11.2,9.4,4.0"
H,37,2.18,ddd,"12.4,11.2,6.7"
H,38,2.18,ddd,"12.4,10.8,4.0"
H,39,6.98,dd,"1.9,0.5"
H,40,3.8,s,
H,41,3.8,s,
H,42,3.8,s,
