C,1,54.74,s,
O,2,,,
C,3,102.94,s,
O,4,,,
C,5,72.33,s,
C,6,145.17,s,
C,7,122.7,s,
C,8,24.28,s,
C,9,50.35,s,
C,10,33.75,s,
C,11,27.8,s,
C,12,27.8,s,
C,13,43.05,s,
C,14,19.1,s,
C,15,40.0,s,
C,16,35.05,s,
C,17,14.9,s,
C,18,53.34,s,
H,19,3.32,s,
H,20,3.32,s,
H,21,3.32,s,
H,22,5.23,d,8.7
H,23,4.78,s,
H,24,4.78,s,
H,25,5.54,dd,"4.2,3.0"
H,26,2.0,ddd,"15.4,5.5,4.2"
H,27,2.0,ddd,"15.4,13.5,3.0"
H,28,1.16,dd,"13.5,5.5"
H,29,0.87,s,
H,30,0.87,s,
H,31,0.87,s,
H,32,0.87,s,
H,33,0.87,s,
H,34,0.87,s,
H,35,1.26,ddd,"13.0,12.4,5.8"
H,36,1.26,ddd,"12.4,5.7,2.4"
H,37,1.5,m,
H,38,1.5,m,
H,39,1.38,ddd,"12.4,6.5,1.7"
H,40,1.38,ddd,"12.4,11.1,7.8"
H,41,0.82,s,
H,42,0.82,s,
H,43,0.82,s,
H,44,2.83,d,8.7
