C,1,18.52,s,
C,2,35.16,s,
C,3,35.12,s,
C,4,76.51,s,
O,5,,,
C,6,109.5,s,
O,7,,,
C,8,78.54,s,
C,9,72.42,s,
C,10,25.27,s,
C,11,25.27,s,
O,12,,,
C,13,50.05,s,
C,14,43.99,s,
C,15,17.82,s,
C,16,32.64,s,
C,17,35.28,s,
C,18,41.86,s,
C,19,23.48,s,
C,20,23.43,s,
C,21,31.96,s,
C,22,29.85,s,
C,23,89.1,s,
O,24,,,
C,25,107.46,s,
O,26,,,
C,27,66.98,s,
C,28,70.91,s,
O,29,,,
C,30,77.76,s,
O,31,,,
C,32,74.92,s,
O,33,,,
C,34,39.26,s,
C,35,22.07,s,
C,36,22.07,s,
C,37,49.45,s,
C,38,31.12,s,
C,39,126.29,s,
C,40,169.39,s,
C,41,41.86,s,
C,42,23.79,s,
C,43,73.63,s,
O,44,,,
H,45,0.92,d,6.5
H,46,0.92,d,6.5
H,47,0.92,d,6.5
H,48,1.68,m,
H,49,1.88,ddd,"12.4,7.6,5.7"
H,50,1.88,ddd,"12.4,2.2,0.7"
H,51,4.61,ddd,"5.7,2.5,0.7"
H,52,4.76,d,2.5
H,53,1.33,s,
H,54,1.33,s,
H,55,1.33,s,
H,56,1.33,s,
H,57,1.33,s,
H,58,1.33,s,
H,59,,,
H,60,3.22,d,5.8
H,61,1.02,s,
H,62,1.02,s,
H,63,1.02,s,
H,64,2.01,ddd,"12.4,6.7,2.7"
H,65,2.01,ddd,"12.4,12.0,6.7"
H,66,1.72,ddd,"12.4,12.0,6.7"
H,67,1.72,ddd,"12.4,6.7,2.7"
H,68,1.75,s,
H,69,1.75,s,
H,70,1.48,ddd,"13.4,12.4,6.2"
H,71,1.48,ddd,"12.4,5.3,2.4"
H,72,2.2,m,
H,73,2.2,m,
H,74,3.4,dd,"11.2,3.4"
H,75,4.78,d,1.3
H,76,4.14,dd,"9.4,1.6"
H,77,4.14,dd,"9.4,4.2"
H,78,4.09,ddd,"4.2,2.4,1.6"
H,79,,,
H,80,4.04,dd,"2.9,2.4"
H,81,,,
H,82,3.92,dd,"2.9,1.3"
H,83,,,
H,84,1.07,s,
H,85,1.07,s,
H,86,1.07,s,
H,87,1.07,s,
H,88,1.07,s,
H,89,1.07,s,
H,90,1.33,dd,"12.0,0.8"
H,91,2.25,ddd,"15.4,6.6,0.8"
H,92,2.25,ddd,"15.4,12.0,4.0"
H,93,5.54,dd,"6.6,4.0"
H,94,1.87,s,
H,95,1.87,s,
H,96,1.87,s,
H,97,4.52,s,
H,98,,,
