C,1,10.35,s,
C,2,49.72,s,
C,3,,,
O,4,,,
C,5,73.63,s,
O,6,,,
C,7,87.02,s,
Br,8,,,
O,9,,,
C,10,78.41,s,
C,11,46.3,s,
C,12,69.3,s,
C,13,33.9,s,
Cl,14,,,
C,15,60.8,s,
Br,16,,,
C,17,42.67,s,
C,18,41.86,s,
C,19,49.3,s,
C,20,24.15,s,
C,21,24.15,s,
H,22,1.18,d,6.8
H,23,1.18,d,6.8
H,24,1.18,d,6.8
H,25,2.9,q,6.8
H,26,4.52,s,
H,27,,,
H,28,4.77,dd,"9.2,6.8"
H,29,2.96,dd,"12.4,6.8"
H,30,2.96,dd,"12.4,9.2"
H,31,1.79,s,
H,32,1.79,s,
H,33,1.79,s,
H,34,4.08,dd,"9.2,0.9"
H,35,2.05,dd,"12.4,9.2"
H,36,2.05,dd,"12.4,0.9"
H,37,1.13,s,
H,38,1.13,s,
H,39,1.13,s,
H,40,1.13,s,
H,41,1.13,s,
H,42,1.13,s,
