C,1,23.8,s,
C,2,135.3,s,
C,3,132.74,s,
C,4,33.73,s,
C,5,20.81,s,
C,6,35.12,s,
C,7,69.34,s,
C,8,20.55,s,
O,9,,,
C,10,171.26,s,
O,11,,,
C,12,37.35,s,
C,13,63.4,s,
C,14,143.25,s,
C,15,124.37,s,
C,16,115.1,s,
C,17,157.8,s,
O,18,,,
C,19,115.1,s,
C,20,124.37,s,
N,21,,,
C,22,162.36,s,
O,23,,,
C,24,57.53,s,
C,25,35.29,s,
C,26,112.2,s,
C,27,131.3,s,
Br,28,,,
N,29,,,
C,30,137.2,s,
C,31,111.19,s,
C,32,123.67,s,
C,33,120.32,s,
C,34,119.55,s,
C,35,127.21,s,
N,36,,,
C,37,31.45,s,
C,38,169.5,s,
O,39,,,
C,40,57.53,s,
C,41,19.8,s,
N,42,,,
C,43,162.36,s,
O,44,,,
C,45,30.1,s,
C,46,31.9,s,
H,47,1.71,s,
H,48,1.71,s,
H,49,1.71,s,
H,50,5.92,d,6.6
H,51,2.47,m,
H,52,0.98,d,6.7
H,53,0.98,d,6.7
H,54,0.98,d,6.7
H,55,1.88,ddd,"12.4,10.2,2.8"
H,56,1.88,ddd,"12.4,7.9,4.4"
H,57,5.09,ddq,"10.2,7.9,6.1"
H,58,1.26,d,6.1
H,59,1.26,d,6.1
H,60,1.26,d,6.1
H,61,2.79,dd,"15.4,12.5"
H,62,2.79,dd,"15.4,2.6"
H,63,4.28,dd,"12.5,2.6"
H,64,7.05,ddd,"10.2,1.9,0.5"
H,65,6.77,ddd,"10.2,1.9,0.5"
H,66,,,
H,67,6.77,ddd,"8.0,1.9,0.5"
H,68,7.05,ddd,"8.0,1.9,0.5"
H,69,,,
H,70,4.28,t,6.6
H,71,3.01,d,6.6
H,72,3.01,d,6.6
H,73,,,
H,74,7.36,ddd,"8.0,1.4,0.5"
H,75,7.22,ddd,"8.0,7.3,1.4"
H,76,7.15,ddd,"7.7,7.3,1.4"
H,77,8.02,ddd,"7.7,1.4,0.5"
H,78,2.91,s,
H,79,2.91,s,
H,80,2.91,s,
H,81,4.33,q,6.5
H,82,1.72,d,6.5
H,83,1.72,d,6.5
H,84,1.72,d,6.5
H,85,,,
H,86,2.05,ddd,"15.4,12.0,7.3"
H,87,2.05,ddd,"15.4,8.1,3.6"
H,88,2.37,ddd,"15.4,12.0,8.1"
H,89,2.37,ddd,"15.4,7.3,3.6"
