C,1,54.05,s,
O,2,,,
C,3,101.1,s,
O,4,,,
C,5,67.3,s,
C,6,31.7,s,
C,7,114.9,s,
C,8,139.6,s,
C,9,27.9,s,
C,10,56.7,s,
N,11,,,
C,12,43.8,s,
C,13,66.4,s,
C,14,43.8,s,
C,15,126.5,s,
C,16,109.92,s,
C,17,146.95,s,
C,18,147.29,s,
C,19,110.63,s,
C,20,137.38,s,
O,21,,,
C,22,101.35,s,
O,23,,,
H,24,3.35,s,
H,25,3.35,s,
H,26,3.35,s,
H,27,5.61,s,
H,28,4.88,ddd,"5.6,5.1,1.7"
H,29,2.41,ddd,"15.4,4.9,1.7"
H,30,2.41,ddd,"15.4,5.6,2.9"
H,31,5.54,dd,"4.9,2.9"
H,32,2.73,ddd,"12.4,11.5,6.0"
H,33,2.73,ddd,"12.4,11.5,5.7"
H,34,3.34,ddd,"11.5,9.4,6.0"
H,35,3.34,ddd,"11.5,9.4,5.7"
H,36,2.35,s,
H,37,2.35,s,
H,38,2.35,s,
H,39,4.24,d,8.5
H,40,2.83,dd,"8.5,5.1"
H,41,6.62,d,0.5
H,42,6.94,d,0.5
H,43,5.88,s,
H,44,5.88,s,
