C,1,108.83,s,
C,2,148.66,s,
C,3,39.37,s,
C,4,76.51,s,
O,5,,,
C,6,174.9,s,
O,7,,,
C,8,34.1,s,
C,9,24.9,s,
C,10,29.76,s,
C,11,29.66,s,
C,12,29.66,s,
C,13,29.65,s,
C,14,29.55,s,
C,15,29.26,s,
C,16,29.55,s,
C,17,29.55,s,
C,18,29.59,s,
C,19,29.42,s,
C,20,31.8,s,
C,21,22.67,s,
C,22,14.08,s,
C,23,76.51,s,
O,24,,,
C,25,170.72,s,
C,26,21.03,s,
O,27,,,
C,28,42.83,s,
C,29,39.94,s,
C,30,20.6,s,
C,31,143.8,s,
C,32,118.7,s,
C,33,40.1,s,
C,34,36.4,s,
C,35,24.7,s,
C,36,67.7,s,
Br,37,,,
C,38,65.0,s,
O,39,,,
C,40,39.3,s,
C,41,39.6,s,
C,42,70.4,s,
O,43,,,
C,44,35.12,s,
C,45,47.74,s,
H,46,4.83,s,
H,47,4.83,s,
H,48,2.52,dd,"13.4,2.5"
H,49,2.52,dd,"13.4,10.4"
H,50,4.61,ddd,"10.4,2.5,1.4"
H,51,2.31,t,6.7
H,52,2.31,t,6.7
H,53,1.46,tt,"6.7,6.6"
H,54,1.46,tt,"6.7,6.6"
H,55,1.27,m,6.6
H,56,1.27,m,6.6
H,57,1.27,m,6.6
H,58,1.27,m,6.6
H,59,1.23,m,6.6
H,60,1.23,m,6.6
H,61,1.26,m,6.6
H,62,1.26,m,6.6
H,63,1.26,m,6.6
H,64,1.26,m,6.6
H,65,1.26,m,6.6
H,66,1.26,m,6.6
H,67,1.26,m,6.6
H,68,1.26,m,6.6
H,69,1.26,m,6.6
H,70,1.26,m,6.6
H,71,1.25,m,6.6
H,72,1.25,m,6.6
H,73,1.26,m,6.6
H,74,1.26,m,6.6
H,75,1.27,tt,"6.6,6.5"
H,76,1.27,tt,"6.6,6.5"
H,77,1.27,qt,"7.0,6.5"
H,78,1.27,qt,"7.0,6.5"
H,79,0.88,t,7.0
H,80,0.88,t,7.0
H,81,0.88,t,7.0
H,82,4.61,ddd,"5.6,3.1,1.4"
H,83,2.02,s,
H,84,2.02,s,
H,85,2.02,s,
H,86,2.1,dd,"12.4,3.1"
H,87,2.1,dd,"12.4,5.6"
H,88,1.08,s,
H,89,1.08,s,
H,90,1.08,s,
H,91,5.39,dd,"5.4,2.6"
H,92,2.22,dd,"15.4,2.6"
H,93,2.22,dd,"15.4,5.4"
H,94,1.13,s,
H,95,1.13,s,
H,96,1.13,s,
H,97,4.61,t,5.8
H,98,4.1,d,5.8
H,99,4.1,d,5.8
H,100,,,
H,101,2.04,dd,"12.4,10.4"
H,102,2.04,dd,"12.4,4.3"
H,103,2.83,ddd,"10.4,4.3,2.9"
H,104,4.19,ddd,"3.6,3.2,2.9"
H,105,,,
H,106,1.88,ddd,"12.4,5.1,3.2"
H,107,1.88,ddd,"13.0,12.4,3.6"
H,108,2.94,dd,"13.0,5.1"
