C,1,27.4,s,
C,2,70.8,s,
C,3,27.4,s,
O,4,,,
C,5,85.3,s,
C,6,24.6,s,
C,7,36.8,s,
C,8,83.54,s,
C,9,23.46,s,
C,10,49.5,s,
C,11,25.7,s,
C,12,31.4,s,
C,13,50.0,s,
C,14,16.4,s,
C,15,42.9,s,
C,16,27.3,s,
C,17,21.39,s,
C,18,49.69,s,
C,19,38.54,s,
C,20,15.71,s,
C,21,35.28,s,
C,22,30.57,s,
C,23,164.25,s,
N,24,,,
O,25,,,
C,26,41.86,s,
C,27,23.79,s,
C,28,23.79,s,
C,29,48.76,s,
C,30,18.92,s,
C,31,33.11,s,
C,32,40.36,s,
C,33,15.4,s,
O,34,,,
H,35,1.38,s,
H,36,1.38,s,
H,37,1.38,s,
H,38,1.38,s,
H,39,1.38,s,
H,40,1.38,s,
H,41,,,
H,42,3.93,dd,"9.0,7.9"
H,43,2.15,m,
H,44,2.15,m,
H,45,2.69,ddd,"12.4,11.7,2.9"
H,46,2.69,ddd,"12.4,12.2,5.6"
H,47,1.32,s,
H,48,1.32,s,
H,49,1.32,s,
H,50,2.13,ddd,"11.5,4.2,3.0"
H,51,1.62,m,
H,52,1.62,m,
H,53,1.18,ddd,"12.4,4.1,1.4"
H,54,1.18,ddd,"14.7,12.4,6.8"
H,55,0.88,s,
H,56,0.88,s,
H,57,0.88,s,
H,58,1.63,ddd,"11.7,8.2,4.2"
H,59,1.71,m,
H,60,1.71,m,
H,61,1.6,m,
H,62,1.6,m,
H,63,1.71,dd,"8.9,0.9"
H,64,1.3,s,
H,65,1.3,s,
H,66,1.3,s,
H,67,1.72,ddd,"12.4,9.4,9.0"
H,68,1.72,ddd,"12.4,9.2,1.5"
H,69,2.5,ddd,"15.4,9.4,1.5"
H,70,2.5,ddd,"15.4,9.2,9.0"
H,71,,,
H,72,1.13,s,
H,73,1.13,s,
H,74,1.13,s,
H,75,1.13,s,
H,76,1.13,s,
H,77,1.13,s,
H,78,2.11,dd,"10.7,2.6"
H,79,1.69,m,
H,80,1.69,m,
H,81,1.42,ddd,"13.0,12.4,5.9"
H,82,1.42,ddd,"12.4,8.2,2.3"
H,83,0.96,s,
H,84,0.96,s,
H,85,0.96,s,
