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,7,35.22,s,
C,8,80.53,s,
C,9,23.64,s,
C,10,75.9,s,
O,11,,,
C,12,27.23,s,
C,13,35.0,s,
C,14,74.04,s,
C,15,24.4,s,
O,16,,,
C,17,83.52,s,
C,18,30.57,s,
C,19,30.57,s,
C,20,86.8,s,
O,21,,,
C,22,83.52,s,
C,23,74.3,s,
C,24,22.9,s,
C,25,35.22,s,
C,26,33.84,s,
C,27,58.3,s,
Br,28,,,
C,29,76.95,s,
C,30,25.83,s,
C,31,25.83,s,
O,32,,,
C,33,19.7,s,
C,34,30.4,s,
C,35,80.53,s,
C,36,23.64,s,
O,37,,,
O,38,,,
H,39,1.38,s,
H,40,1.38,s,
H,41,1.38,s,
H,42,1.38,s,
H,43,1.38,s,
H,44,1.38,s,
H,45,,,
H,46,3.81,dd,"9.4,6.7"
H,47,2.11,m,
H,48,2.11,m,
H,49,1.9,ddd,"12.4,11.0,5.4"
H,50,1.9,ddd,"12.4,11.6,2.6"
H,51,1.46,s,
H,52,1.46,s,
H,53,1.46,s,
H,54,4.08,t,5.8
H,55,,,
H,56,1.67,td,"6.8,5.8"
H,57,1.67,td,"6.8,5.8"
H,58,1.98,t,6.8
H,59,1.98,t,6.8
H,60,1.16,s,
H,61,1.16,s,
H,62,1.16,s,
H,63,,,
H,64,4.54,dd,"10.1,6.8"
H,65,1.95,m,
H,66,1.95,m,
H,67,1.8,m,
H,68,1.8,m,
H,69,4.54,dd,"6.4,1.2"
H,70,4.54,dd,"8.7,7.4"
H,71,1.46,s,
H,72,1.46,s,
H,73,1.46,s,
H,74,1.9,ddd,"12.4,6.7,1.8"
H,75,1.9,ddd,"12.4,11.3,7.4"
H,76,2.52,m,
H,77,2.52,m,
H,78,3.88,dd,"10.4,3.8"
H,79,1.75,s,
H,80,1.75,s,
H,81,1.75,s,
H,82,1.75,s,
H,83,1.75,s,
H,84,1.75,s,
H,85,1.8,m,
H,86,1.8,m,
H,87,1.9,ddd,"12.4,11.2,8.3"
H,88,1.9,ddd,"12.4,7.9,1.6"
H,89,1.46,s,
H,90,1.46,s,
H,91,1.46,s,
