C,1,21.24,s,
C,2,169.93,s,
O,3,,,
O,4,,,
C,5,83.52,s,
C,6,25.35,s,
C,7,35.0,s,
C,8,74.04,s,
C,9,24.4,s,
O,10,,,
C,11,83.52,s,
C,12,30.57,s,
C,13,30.57,s,
C,14,86.8,s,
O,15,,,
C,16,83.52,s,
C,17,74.3,s,
C,18,22.9,s,
C,19,35.22,s,
C,20,33.84,s,
C,21,58.3,s,
Br,22,,,
C,23,76.95,s,
C,24,25.83,s,
C,25,25.83,s,
O,26,,,
C,27,19.7,s,
C,28,30.4,s,
C,29,80.53,s,
C,30,23.64,s,
O,31,,,
C,32,80.53,s,
C,33,23.64,s,
C,34,35.22,s,
C,35,24.6,s,
C,36,85.3,s,
C,37,70.8,s,
C,38,27.4,s,
C,39,27.4,s,
O,40,,,
O,41,,,
H,42,2.07,s,
H,43,2.07,s,
H,44,2.07,s,
H,45,4.54,t,5.9
H,46,2.02,td,"6.8,5.9"
H,47,2.02,td,"6.8,5.9"
H,48,1.98,t,6.8
H,49,1.98,t,6.8
H,50,1.16,s,
H,51,1.16,s,
H,52,1.16,s,
H,53,,,
H,54,4.54,dd,"10.0,6.6"
H,55,1.95,m,
H,56,1.95,m,
H,57,1.8,m,
H,58,1.8,m,
H,59,4.54,dd,"11.7,4.6"
H,60,4.54,dd,"10.5,2.5"
H,61,1.46,s,
H,62,1.46,s,
H,63,1.46,s,
H,64,1.9,ddd,"12.4,7.4,1.7"
H,65,1.9,ddd,"12.4,10.7,8.9"
H,66,2.52,m,
H,67,2.52,m,
H,68,3.88,dd,"10.5,2.8"
H,69,1.75,s,
H,70,1.75,s,
H,71,1.75,s,
H,72,1.75,s,
H,73,1.75,s,
H,74,1.75,s,
H,75,1.8,m,
H,76,1.8,m,
H,77,1.9,ddd,"12.4,12.1,8.4"
H,78,1.9,ddd,"12.4,7.9,1.3"
H,79,1.46,s,
H,80,1.46,s,
H,81,1.46,s,
H,82,1.46,s,
H,83,1.46,s,
H,84,1.46,s,
H,85,1.9,ddd,"12.4,8.3,1.2"
H,86,1.9,td,"12.4,10.1"
H,87,2.11,tdd,"12.4,11.7,8.3"
H,88,2.11,m,
H,89,3.81,dd,"11.7,6.6"
H,90,1.38,s,
H,91,1.38,s,
H,92,1.38,s,
H,93,1.38,s,
H,94,1.38,s,
H,95,1.38,s,
H,96,,,
