C,1,114.59,s,
C,2,132.07,s,
C,3,77.16,s,
O,4,,,
C,5,49.6,s,
C,6,81.2,s,
O,7,,,
C,8,167.45,s,
O,9,,,
C,10,127.36,s,
C,11,18.81,s,
C,12,139.01,s,
C,13,15.61,s,
C,14,37.97,s,
C,15,15.83,s,
C,16,36.91,s,
C,17,85.6,s,
O,18,,,
C,19,194.8,s,
O,20,,,
C,21,77.48,s,
C,22,25.81,s,
O,23,,,
C,24,135.73,s,
C,25,144.6,s,
C,26,41.47,s,
C,27,22.43,s,
C,28,22.43,s,
C,29,76.9,s,
O,30,,,
C,31,164.75,s,
O,32,,,
C,33,126.25,s,
C,34,137.32,s,
C,35,123.64,s,
C,36,153.57,s,
N,37,,,
C,38,150.9,s,
C,39,71.0,s,
O,40,,,
C,41,170.55,s,
C,42,20.84,s,
O,43,,,
C,44,75.09,s,
O,45,,,
C,46,167.45,s,
O,47,,,
C,48,127.36,s,
C,49,18.81,s,
C,50,139.01,s,
C,51,15.61,s,
H,52,5.27,s,
H,53,5.27,s,
H,54,4.19,d,4.5
H,55,,,
H,56,2.96,dd,"4.5,2.7"
H,57,4.98,dd,"8.0,2.7"
H,58,1.87,s,
H,59,1.87,s,
H,60,1.87,s,
H,61,6.46,q,7.0
H,62,1.9,d,7.0
H,63,1.9,d,7.0
H,64,1.9,d,7.0
H,65,2.25,m,
H,66,0.93,d,6.5
H,67,0.93,d,6.5
H,68,0.93,d,6.5
H,69,2.55,dd,"12.4,1.3"
H,70,2.55,dd,"12.4,8.3"
H,71,,,
H,72,1.54,s,
H,73,1.54,s,
H,74,1.54,s,
H,75,,,
H,76,5.99,d,11.0
H,77,6.3,d,11.0
H,78,1.0,s,
H,79,1.0,s,
H,80,1.0,s,
H,81,1.0,s,
H,82,1.0,s,
H,83,1.0,s,
H,84,4.95,d,4.1
H,85,8.57,ddd,"8.6,1.9,1.4"
H,86,7.48,ddd,"8.6,4.5,0.5"
H,87,8.78,dd,"4.5,1.4"
H,88,9.55,dd,"1.9,0.5"
H,89,6.17,dd,"4.1,2.2"
H,90,2.06,s,
H,91,2.06,s,
H,92,2.06,s,
H,93,5.35,d,2.2
H,94,1.87,s,
H,95,1.87,s,
H,96,1.87,s,
H,97,6.46,q,7.0
H,98,1.9,d,7.0
H,99,1.9,d,7.0
H,100,1.9,d,7.0
