C,1,21.84,s,
C,2,169.88,s,
O,3,,,
O,4,,,
C,5,74.73,s,
C,6,28.55,s,
C,7,37.08,s,
C,8,39.94,s,
C,9,20.6,s,
C,10,149.11,s,
C,11,115.96,s,
C,12,38.16,s,
C,13,39.0,s,
C,14,15.22,s,
C,15,47.74,s,
C,16,157.5,s,
C,17,21.2,s,
C,18,125.3,s,
C,19,,,
O,20,,,
C,21,54.0,s,
C,22,25.2,s,
C,23,22.7,s,
C,24,22.7,s,
C,25,24.7,s,
C,26,26.26,s,
C,27,50.54,s,
C,28,42.38,s,
C,29,35.12,s,
C,30,77.06,s,
O,31,,,
C,32,170.21,s,
C,33,21.23,s,
O,34,,,
C,35,49.79,s,
C,36,35.12,s,
H,37,2.03,s,
H,38,2.03,s,
H,39,2.03,s,
H,40,4.85,m,
H,41,1.7,tdd,"12.4,4.9,1.3"
H,42,1.7,m,
H,43,1.71,ddd,"12.4,6.7,1.3"
H,44,1.71,td,"12.4,1.2"
H,45,0.89,s,
H,46,0.89,s,
H,47,0.89,s,
H,48,5.28,dd,"6.5,3.7"
H,49,2.51,dd,"15.4,6.5"
H,50,2.51,dd,"15.4,3.7"
H,51,0.82,s,
H,52,0.82,s,
H,53,0.82,s,
H,54,2.94,dd,"13.5,5.6"
H,55,2.55,s,
H,56,2.55,s,
H,57,2.55,s,
H,58,6.65,s,
H,59,2.53,d,6.0
H,60,2.53,d,6.0
H,61,2.15,m,"6.4,6.0"
H,62,0.97,d,6.4
H,63,0.97,d,6.4
H,64,0.97,d,6.4
H,65,0.97,d,6.4
H,66,0.97,d,6.4
H,67,0.97,d,6.4
H,68,1.58,m,
H,69,1.58,m,
H,70,1.48,m,
H,71,1.48,m,
H,72,1.24,ddd,"10.9,7.0,4.9"
H,73,2.06,ddd,"12.7,7.0,5.6"
H,74,2.6,ddd,"12.4,8.5,5.6"
H,75,2.6,ddd,"12.7,12.4,8.6"
H,76,5.13,ddd,"8.6,8.5,1.9"
H,77,2.02,s,
H,78,2.02,s,
H,79,2.02,s,
H,80,1.47,ddd,"12.7,1.9,1.8"
H,81,1.88,ddd,"12.7,12.4,9.0"
H,82,1.88,ddd,"12.4,7.6,1.8"
