C,1,55.7,s,
O,2,,,
C,3,109.7,s,
O,4,,,
C,5,76.8,s,
C,6,75.4,s,
O,7,,,
C,8,73.1,s,
C,9,26.45,s,
C,10,26.45,s,
O,11,,,
C,12,33.1,s,
C,13,46.35,s,
C,14,52.2,s,
C,15,34.8,s,
C,16,118.0,s,
C,17,159.3,s,
C,18,39.94,s,
C,19,20.6,s,
C,20,37.39,s,
C,21,18.92,s,
C,22,48.76,s,
C,23,37.17,s,
C,24,17.14,s,
C,25,36.29,s,
C,26,26.38,s,
C,27,78.07,s,
O,28,,,
C,29,38.91,s,
C,30,22.7,s,
C,31,22.7,s,
C,32,51.21,s,
C,33,27.0,s,
C,34,75.84,s,
O,35,,,
C,36,44.4,s,
C,37,27.3,s,
H,38,3.32,s,
H,39,3.32,s,
H,40,3.32,s,
H,41,5.23,d,8.9
H,42,4.61,ddd,"12.4,5.5,4.8"
H,43,4.12,d,4.8
H,44,,,
H,45,1.3,s,
H,46,1.3,s,
H,47,1.3,s,
H,48,1.3,s,
H,49,1.3,s,
H,50,1.3,s,
H,51,,,
H,52,1.88,td,"12.4,12.0"
H,53,1.88,ddd,"12.4,5.5,3.7"
H,54,1.7,m,
H,55,1.61,ddd,"13.3,6.0,5.7"
H,56,2.63,ddd,"13.3,12.4,2.6"
H,57,2.63,ddd,"12.4,6.0,4.9"
H,58,5.3,dd,"4.9,2.6"
H,59,1.01,s,
H,60,1.01,s,
H,61,1.01,s,
H,62,2.1,ddd,"13.4,12.4,3.2"
H,63,2.1,ddd,"12.4,5.5,4.4"
H,64,1.69,m,
H,65,1.69,m,
H,66,2.11,dd,"10.4,9.3"
H,67,0.89,s,
H,68,0.89,s,
H,69,0.89,s,
H,70,1.32,ddd,"12.4,11.1,8.0"
H,71,1.32,ddd,"12.4,7.6,3.1"
H,72,1.74,m,
H,73,1.74,m,
H,74,3.34,dd,"6.9,1.4"
H,75,,,
H,76,0.98,s,
H,77,0.98,s,
H,78,0.98,s,
H,79,0.98,s,
H,80,0.98,s,
H,81,0.98,s,
H,82,1.26,dd,"12.6,4.8"
H,83,1.88,ddd,"12.6,12.4,2.6"
H,84,1.88,ddd,"12.4,10.0,4.8"
H,85,4.12,dd,"10.0,2.6"
H,86,,,
H,87,1.25,s,
H,88,1.25,s,
H,89,1.25,s,
