C,1,23.5,s,
C,2,48.4,s,
C,3,23.5,s,
C,4,75.84,s,
O,5,,,
C,6,36.69,s,
C,7,60.94,s,
O,8,,,
C,9,67.39,s,
C,10,18.52,s,
C,11,53.6,s,
C,12,34.5,s,
C,13,59.6,s,
Br,14,,,
C,15,69.3,s,
C,16,33.9,s,
Cl,17,,,
C,18,45.15,s,
C,19,75.84,s,
O,20,,,
H,21,1.13,s,
H,22,1.13,s,
H,23,1.13,s,
H,24,1.13,s,
H,25,1.13,s,
H,26,1.13,s,
H,27,4.12,dd,"10.1,3.2"
H,28,,,
H,29,2.14,ddd,"12.4,3.2,0.8"
H,30,2.14,ddd,"12.4,10.1,8.9"
H,31,3.37,dd,"8.9,0.8"
H,32,1.28,s,
H,33,1.28,s,
H,34,1.28,s,
H,35,2.05,dd,"12.4,7.8"
H,36,2.05,dd,"12.4,1.7"
H,37,4.08,dd,"7.8,1.7"
H,38,1.79,s,
H,39,1.79,s,
H,40,1.79,s,
H,41,2.96,dd,"12.4,2.1"
H,42,2.96,dd,"12.4,4.8"
H,43,4.12,dd,"4.8,2.1"
H,44,,,
