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,7,32.2,s,
C,8,80.53,s,
C,9,23.64,s,
O,10,,,
C,11,170.11,s,
C,12,21.54,s,
O,13,,,
C,14,83.52,s,
C,15,30.57,s,
C,16,30.57,s,
C,17,86.8,s,
O,18,,,
C,19,83.52,s,
C,20,74.3,s,
C,21,22.9,s,
C,22,35.22,s,
C,23,32.34,s,
C,24,58.3,s,
Br,25,,,
C,26,76.95,s,
C,27,25.83,s,
C,28,25.83,s,
O,29,,,
C,30,19.7,s,
C,31,30.4,s,
C,32,80.53,s,
C,33,23.64,s,
O,34,,,
C,35,80.53,s,
C,36,23.64,s,
C,37,35.22,s,
C,38,24.6,s,
C,39,83.52,s,
C,40,81.88,s,
C,41,21.83,s,
C,42,21.83,s,
O,43,,,
C,44,170.5,s,
C,45,22.1,s,
O,46,,,
O,47,,,
H,48,2.07,s,
H,49,2.07,s,
H,50,2.07,s,
H,51,4.54,t,5.9
H,52,2.02,td,"6.8,5.9"
H,53,2.02,td,"6.8,5.9"
H,54,1.9,t,6.8
H,55,1.9,t,6.8
H,56,1.46,s,
H,57,1.46,s,
H,58,1.46,s,
H,59,2.06,s,
H,60,2.06,s,
H,61,2.06,s,
H,62,4.54,dd,"10.6,3.6"
H,63,1.95,m,
H,64,1.95,m,
H,65,1.8,m,
H,66,1.8,m,
H,67,4.54,dd,"11.1,5.3"
H,68,4.54,dd,"10.6,1.8"
H,69,1.46,s,
H,70,1.46,s,
H,71,1.46,s,
H,72,1.9,ddd,"13.1,12.4,7.2"
H,73,1.9,ddd,"12.4,2.4,1.9"
H,74,2.02,m,
H,75,2.02,m,
H,76,3.88,dd,"3.6,3.1"
H,77,1.75,s,
H,78,1.75,s,
H,79,1.75,s,
H,80,1.75,s,
H,81,1.75,s,
H,82,1.75,s,
H,83,1.8,m,
H,84,1.8,m,
H,85,1.9,ddd,"12.4,5.0,2.8"
H,86,1.9,ddd,"13.6,12.4,6.3"
H,87,1.46,s,
H,88,1.46,s,
H,89,1.46,s,
H,90,1.46,s,
H,91,1.46,s,
H,92,1.46,s,
H,93,1.9,ddd,"14.4,12.4,7.3"
H,94,1.9,ddd,"12.4,5.7,0.8"
H,95,2.11,m,
H,96,2.11,m,
H,97,3.94,dd,"11.8,5.6"
H,98,1.35,s,
H,99,1.35,s,
H,100,1.35,s,
H,101,1.35,s,
H,102,1.35,s,
H,103,1.35,s,
H,104,2.14,s,
H,105,2.14,s,
H,106,2.14,s,
