C,1,20.83,s,
C,2,169.47,s,
O,3,,,
O,4,,,
C,5,78.42,s,
C,6,42.83,s,
C,7,49.5,s,
C,8,53.9,s,
C,9,32.0,s,
C,10,26.2,s,
C,11,37.7,s,
C,12,65.7,s,
C,13,30.3,s,
C,14,28.16,s,
C,15,40.4,s,
C,16,86.56,s,
O,17,,,
N,18,,,
C,19,61.05,s,
C,20,39.9,s,
C,21,32.2,s,
C,22,22.05,s,
C,23,22.05,s,
C,24,28.4,s,
C,25,33.77,s,
C,26,43.99,s,
C,27,17.82,s,
C,28,,,
O,29,,,
C,30,50.8,s,
C,31,19.8,s,
C,32,66.6,s,
O,33,,,
C,34,106.7,s,
C,35,24.3,s,
C,36,35.1,s,
C,37,25.4,s,
C,38,83.2,s,
O,39,,,
H,40,2.15,s,
H,41,2.15,s,
H,42,2.15,s,
H,43,4.87,t,6.0
H,44,2.1,d,6.0
H,45,2.1,d,6.0
H,46,2.39,dd,"11.8,6.4"
H,47,1.72,m,
H,48,1.72,m,
H,49,1.54,m,
H,50,1.54,m,
H,51,1.7,ddd,"12.4,11.4,6.7"
H,52,1.7,ddd,"12.4,11.1,3.2"
H,53,1.65,ddd,"12.4,10.5,2.3"
H,54,1.65,ddd,"12.4,11.2,4.9"
H,55,1.58,m,
H,56,1.58,m,
H,57,2.83,ddd,"7.6,1.0,0.5"
H,58,5.52,d,1.0
H,59,,,
H,60,3.54,d,1.6
H,61,1.54,m,
H,62,1.65,m,"6.4,5.4"
H,63,0.99,d,6.4
H,64,0.99,d,6.4
H,65,0.99,d,6.4
H,66,0.99,d,6.4
H,67,0.99,d,6.4
H,68,0.99,d,6.4
H,69,1.72,m,
H,70,1.72,m,
H,71,1.59,ddd,"12.4,11.8,2.5"
H,72,1.59,ddd,"12.4,11.9,3.9"
H,73,1.02,s,
H,74,1.02,s,
H,75,1.02,s,
H,76,0.9,s,
H,77,0.9,s,
H,78,0.9,s,
H,79,4.11,s,
H,80,4.11,s,
H,81,1.35,s,
H,82,1.35,s,
H,83,1.35,s,
H,84,1.97,ddd,"12.4,12.0,8.3"
H,85,1.97,ddd,"12.4,10.3,1.5"
H,86,2.0,m,
H,87,2.0,m,
H,88,4.78,dd,"9.5,5.8"
