C,1,25.83,s,
C,2,76.95,s,
C,3,25.83,s,
O,4,,,
C,5,83.54,s,
C,6,23.46,s,
C,7,38.58,s,
C,8,23.6,s,
C,9,38.19,s,
C,10,68.0,s,
C,11,24.2,s,
Br,12,,,
C,13,67.6,s,
Cl,14,,,
C,15,42.07,s,
C,16,35.22,s,
C,17,32.34,s,
C,18,58.3,s,
Br,19,,,
H,20,1.75,s,
H,21,1.75,s,
H,22,1.75,s,
H,23,1.75,s,
H,24,1.75,s,
H,25,1.75,s,
H,26,1.38,s,
H,27,1.38,s,
H,28,1.38,s,
H,29,1.63,m,
H,30,1.58,m,
H,31,1.58,tdd,"12.4,12.2,5.8"
H,32,2.03,td,"12.4,5.8"
H,33,2.03,ddd,"12.4,5.8,1.6"
H,34,1.84,s,
H,35,1.84,s,
H,36,1.84,s,
H,37,4.88,dd,"3.5,3.2"
H,38,2.32,ddd,"12.4,10.5,3.2"
H,39,2.32,ddd,"12.4,3.5,1.6"
H,40,1.67,ddd,"12.4,3.2,1.2"
H,41,1.67,ddd,"12.4,11.9,2.5"
H,42,2.02,m,
H,43,2.02,m,
H,44,3.88,dd,"13.0,4.6"
