C,1,21.87,s,
C,2,133.68,s,
C,3,21.87,s,
C,4,122.57,s,
C,5,28.56,s,
C,6,124.41,s,
C,7,130.96,s,
C,8,130.2,s,
C,9,165.68,s,
O,10,,,
O,11,,,
C,12,64.8,s,
C,13,34.4,s,
C,14,63.2,s,
C,15,25.37,s,
C,16,25.37,s,
C,17,63.2,s,
C,18,34.4,s,
N,19,,,
C,20,39.2,s,
C,21,130.96,s,
C,22,124.41,s,
C,23,28.56,s,
C,24,122.57,s,
C,25,133.68,s,
C,26,21.87,s,
C,27,21.87,s,
C,28,152.48,s,
O,29,,,
C,30,105.8,s,
O,31,,,
C,32,77.77,s,
C,33,61.84,s,
O,34,,,
C,35,70.94,s,
O,36,,,
C,37,77.2,s,
O,38,,,
C,39,75.7,s,
O,40,,,
H,41,1.67,s,
H,42,1.67,s,
H,43,1.67,s,
H,44,1.67,s,
H,45,1.67,s,
H,46,1.67,s,
H,47,5.09,t,7.0
H,48,3.15,d,7.0
H,49,3.15,d,7.0
H,50,7.78,s,
H,51,5.14,tdd,"11.5,6.3,5.2"
H,52,2.13,ddd,"12.4,8.9,5.2"
H,53,2.13,ddd,"12.4,11.5,1.0"
H,54,3.18,m,
H,55,2.03,m,
H,56,2.03,m,
H,57,2.03,m,
H,58,2.03,m,
H,59,3.18,m,
H,60,2.13,ddd,"12.4,7.7,6.3"
H,61,2.13,ddd,"12.4,11.5,0.8"
H,62,2.25,s,
H,63,2.25,s,
H,64,2.25,s,
H,65,7.78,s,
H,66,3.15,d,7.0
H,67,3.15,d,7.0
H,68,5.09,t,7.0
H,69,1.67,s,
H,70,1.67,s,
H,71,1.67,s,
H,72,1.67,s,
H,73,1.67,s,
H,74,1.67,s,
H,75,5.2,d,7.9
H,76,3.42,td,"5.4,1.2"
H,77,4.04,d,5.4
H,78,4.04,d,5.4
H,79,,,
H,80,3.82,dd,"2.8,1.2"
H,81,,,
H,82,3.46,dd,"2.8,0.6"
H,83,,,
H,84,3.73,dd,"7.9,0.6"
H,85,,,
