C,1,30.5,s,
C,2,72.2,s,
C,3,30.5,s,
Cl,4,,,
C,5,65.2,s,
Br,6,,,
C,7,32.34,s,
C,8,35.22,s,
C,9,74.04,s,
C,10,24.4,s,
O,11,,,
C,12,83.52,s,
C,13,24.6,s,
C,14,35.22,s,
C,15,80.53,s,
C,16,23.64,s,
C,17,75.9,s,
O,18,,,
C,19,30.57,s,
C,20,30.57,s,
C,21,75.9,s,
O,22,,,
C,23,80.53,s,
C,24,23.64,s,
C,25,35.22,s,
C,26,24.6,s,
C,27,83.52,s,
C,28,74.04,s,
C,29,24.4,s,
O,30,,,
C,31,35.22,s,
C,32,32.34,s,
C,33,65.2,s,
Br,34,,,
C,35,72.2,s,
C,36,30.5,s,
C,37,30.5,s,
Cl,38,,,
O,39,,,
O,40,,,
H,41,1.78,s,
H,42,1.78,s,
H,43,1.78,s,
H,44,1.78,s,
H,45,1.78,s,
H,46,1.78,s,
H,47,4.08,t,5.8
H,48,2.02,td,"6.6,5.8"
H,49,2.02,td,"6.6,5.8"
H,50,1.9,t,6.6
H,51,1.9,t,6.6
H,52,1.16,s,
H,53,1.16,s,
H,54,1.16,s,
H,55,,,
H,56,4.54,dd,"9.8,5.8"
H,57,2.11,m,
H,58,2.11,m,
H,59,1.9,ddd,"12.4,10.7,0.6"
H,60,1.9,ddd,"12.4,10.9,8.2"
H,61,1.46,s,
H,62,1.46,s,
H,63,1.46,s,
H,64,4.08,t,5.8
H,65,,,
H,66,1.8,td,"6.7,5.8"
H,67,1.8,td,"6.7,5.8"
H,68,1.8,td,"6.7,5.8"
H,69,1.8,td,"6.7,5.8"
H,70,4.08,t,5.8
H,71,,,
H,72,1.46,s,
H,73,1.46,s,
H,74,1.46,s,
H,75,1.9,ddd,"12.4,9.7,1.0"
H,76,1.9,ddd,"12.4,11.3,7.1"
H,77,2.11,m,
H,78,2.11,m,
H,79,4.54,dd,"9.5,2.4"
H,80,1.16,s,
H,81,1.16,s,
H,82,1.16,s,
H,83,,,
H,84,1.9,t,6.6
H,85,1.9,t,6.6
H,86,2.02,td,"6.6,5.8"
H,87,2.02,td,"6.6,5.8"
H,88,4.08,t,5.8
H,89,1.78,s,
H,90,1.78,s,
H,91,1.78,s,
H,92,1.78,s,
H,93,1.78,s,
H,94,1.78,s,
