C,1,51.49,s,
O,2,,,
C,3,174.2,s,
O,4,,,
C,5,28.3,s,
C,6,34.27,s,
C,7,41.6,s,
C,8,21.0,s,
C,9,52.1,s,
C,10,74.8,s,
C,11,31.25,s,
C,12,31.25,s,
O,13,,,
C,14,11.8,s,
C,15,33.9,s,
C,16,40.36,s,
C,17,15.4,s,
C,18,42.4,s,
C,19,21.39,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,
H,37,3.61,s,
H,38,3.61,s,
H,39,3.61,s,
H,40,1.95,t,6.9
H,41,1.95,t,6.9
H,42,3.13,t,6.9
H,43,3.13,t,6.9
H,44,1.17,s,
H,45,1.17,s,
H,46,1.17,s,
H,47,1.7,dd,"8.1,1.7"
H,48,1.46,s,
H,49,1.46,s,
H,50,1.46,s,
H,51,1.46,s,
H,52,1.46,s,
H,53,1.46,s,
H,54,,,
H,55,1.64,m,
H,56,1.64,m,
H,57,1.67,ddd,"13.7,12.4,3.5"
H,58,1.67,ddd,"12.4,6.5,1.3"
H,59,0.96,s,
H,60,0.96,s,
H,61,0.96,s,
H,62,1.83,dd,"10.7,1.7"
H,63,1.6,m,
H,64,1.6,m,
H,65,1.71,m,
H,66,1.71,m,
H,67,1.63,ddd,"12.2,12.0,5.5"
H,68,2.13,ddd,"12.2,8.6,8.5"
H,69,1.32,s,
H,70,1.32,s,
H,71,1.32,s,
H,72,2.69,ddd,"12.4,10.7,0.8"
H,73,2.69,ddd,"12.4,11.1,7.8"
H,74,2.15,m,
H,75,2.15,m,
H,76,3.93,dd,"9.9,2.9"
H,77,1.38,s,
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,,,
H,84,1.62,m,
H,85,1.62,m,
H,86,1.18,ddd,"12.4,9.9,0.8"
H,87,1.18,ddd,"12.4,10.4,9.6"
H,88,0.88,s,
H,89,0.88,s,
H,90,0.88,s,
