C,1,54.02,s,
O,2,,,
C,3,100.5,s,
C,4,41.3,s,
C,5,37.66,s,
C,6,17.35,s,
C,7,46.95,s,
C,8,46.1,s,
C,9,24.88,s,
C,10,24.88,s,
C,11,185.4,s,
O,12,,,
O,13,,,
C,14,18.92,s,
C,15,33.11,s,
C,16,40.36,s,
C,17,15.4,s,
C,18,51.21,s,
C,19,23.63,s,
C,20,27.3,s,
C,21,42.9,s,
C,22,49.5,s,
C,23,83.54,s,
C,24,23.46,s,
C,25,36.8,s,
C,26,24.6,s,
C,27,85.3,s,
C,28,70.8,s,
C,29,27.4,s,
C,30,27.4,s,
O,31,,,
O,32,,,
C,33,25.7,s,
C,34,31.4,s,
C,35,50.0,s,
C,36,16.4,s,
O,37,,,
C,38,54.02,s,
H,39,3.39,s,
H,40,3.39,s,
H,41,3.39,s,
H,42,4.95,t,5.2
H,43,2.05,d,5.2
H,44,2.05,d,5.2
H,45,1.04,s,
H,46,1.04,s,
H,47,1.04,s,
H,48,2.11,dd,"12.0,8.7"
H,49,1.09,s,
H,50,1.09,s,
H,51,1.09,s,
H,52,1.09,s,
H,53,1.09,s,
H,54,1.09,s,
H,55,,,
H,56,1.69,m,
H,57,1.69,m,
H,58,1.42,ddd,"13.1,12.4,3.3"
H,59,1.42,ddd,"12.4,4.6,4.2"
H,60,0.96,s,
H,61,0.96,s,
H,62,0.96,s,
H,63,1.45,dd,"10.8,8.0"
H,64,1.54,m,
H,65,1.54,m,
H,66,1.71,m,
H,67,1.71,m,
H,68,1.63,ddd,"11.9,9.6,1.8"
H,69,2.13,ddd,"11.0,9.6,9.5"
H,70,1.32,s,
H,71,1.32,s,
H,72,1.32,s,
H,73,2.69,ddd,"12.4,10.1,9.9"
H,74,2.69,ddd,"12.4,10.3,1.8"
H,75,2.15,m,
H,76,2.15,m,
H,77,3.93,dd,"9.8,6.4"
H,78,1.38,s,
H,79,1.38,s,
H,80,1.38,s,
H,81,1.38,s,
H,82,1.38,s,
H,83,1.38,s,
H,84,,,
H,85,1.62,m,
H,86,1.62,m,
H,87,1.18,ddd,"12.4,9.0,1.8"
H,88,1.18,ddd,"12.4,10.2,9.4"
H,89,0.88,s,
H,90,0.88,s,
H,91,0.88,s,
H,92,3.39,s,
H,93,3.39,s,
H,94,3.39,s,
