C,1,13.25,s,
C,2,46.25,s,
C,3,28.16,s,
C,4,35.28,s,
C,5,47.1,s,
C,6,13.0,s,
C,7,77.29,s,
O,8,,,
C,9,30.5,s,
C,10,62.56,s,
Br,11,,,
C,12,69.3,s,
C,13,33.9,s,
Cl,14,,,
C,15,45.15,s,
C,16,83.52,s,
O,17,,,
C,18,95.13,s,
C,19,22.1,s,
H,20,1.0,d,6.6
H,21,1.0,d,6.6
H,22,1.0,d,6.6
H,23,1.93,dqd,"10.4,6.6,4.5"
H,24,1.58,m,
H,25,1.58,m,
H,26,1.72,ddd,"12.4,11.9,3.9"
H,27,1.72,ddd,"12.4,11.9,3.5"
H,28,1.13,s,
H,29,1.13,s,
H,30,1.13,s,
H,31,,,
H,32,2.61,dd,"12.4,4.2"
H,33,2.61,dd,"12.4,11.4"
H,34,4.08,dd,"11.4,4.2"
H,35,1.79,s,
H,36,1.79,s,
H,37,1.79,s,
H,38,2.96,dd,"12.4,0.7"
H,39,2.96,dd,"12.4,5.3"
H,40,4.54,dd,"5.3,0.7"
H,41,1.4,s,
H,42,1.4,s,
H,43,1.4,s,
