C,1,21.35,s,
C,2,169.85,s,
O,3,,,
O,4,,,
C,5,67.4,s,
C,6,41.9,s,
C,7,69.7,s,
C,8,25.1,s,
O,9,,,
C,10,91.1,s,
O,11,,,
C,12,84.6,s,
C,13,28.2,s,
C,14,28.2,s,
C,15,46.02,s,
C,16,70.57,s,
O,17,,,
C,18,165.1,s,
C,19,20.5,s,
O,20,,,
C,21,75.3,s,
O,22,,,
C,23,165.7,s,
O,24,,,
C,25,133.4,s,
C,26,129.51,s,
C,27,128.88,s,
C,28,133.32,s,
C,29,128.88,s,
C,30,129.51,s,
C,31,50.6,s,
C,32,65.36,s,
O,33,,,
C,34,165.31,s,
O,35,,,
C,36,127.85,s,
C,37,139.14,s,
C,38,123.99,s,
C,39,153.57,s,
N,40,,,
C,41,150.97,s,
C,42,75.1,s,
O,43,,,
C,44,169.4,s,
C,45,20.42,s,
O,46,,,
C,47,74.4,s,
O,48,,,
C,49,170.1,s,
C,50,21.6,s,
O,51,,,
H,52,2.02,s,
H,53,2.02,s,
H,54,2.02,s,
H,55,5.64,ddd,"9.9,5.5,1.0"
H,56,2.35,dd,"12.4,9.9"
H,57,2.35,dd,"12.4,5.5"
H,58,1.64,s,
H,59,1.64,s,
H,60,1.64,s,
H,61,,,
H,62,1.34,s,
H,63,1.34,s,
H,64,1.34,s,
H,65,1.34,s,
H,66,1.34,s,
H,67,1.34,s,
H,68,3.16,dd,"2.4,2.0"
H,69,5.54,dd,"2.0,1.7"
H,70,2.03,s,
H,71,2.03,s,
H,72,2.03,s,
H,73,5.7,d,1.7
H,74,8.03,m,
H,75,7.46,tdd,"7.5,1.4,0.5"
H,76,7.57,ddt,"7.5,7.4,1.4"
H,77,7.46,m,
H,78,8.03,m,
H,79,5.02,s,
H,80,5.02,s,
H,81,8.31,ddd,"9.0,1.9,1.4"
H,82,7.48,ddd,"9.0,4.3,0.5"
H,83,8.78,dd,"4.3,1.4"
H,84,9.2,dd,"1.9,0.5"
H,85,5.98,d,1.0
H,86,2.0,s,
H,87,2.0,s,
H,88,2.0,s,
H,89,7.02,d,2.4
H,90,2.04,s,
H,91,2.04,s,
H,92,2.04,s,
