C,1,117.7,s,
C,2,141.4,s,
C,3,37.3,s,
C,4,68.0,s,
O,5,,,
C,6,43.5,s,
C,7,43.0,s,
C,8,25.43,s,
C,9,25.43,s,
C,10,50.3,s,
C,11,25.6,s,
C,12,40.6,s,
C,13,68.0,s,
C,14,24.2,s,
Br,15,,,
C,16,67.6,s,
Cl,17,,,
C,18,37.2,s,
H,19,4.74,s,
H,20,4.74,s,
H,21,2.52,dd,"15.4,9.6"
H,22,2.52,dd,"15.4,4.4"
H,23,3.93,m,
H,24,,,
H,25,2.1,dd,"12.4,9.9"
H,26,2.1,dd,"12.4,7.0"
H,27,1.13,s,
H,28,1.13,s,
H,29,1.13,s,
H,30,1.13,s,
H,31,1.13,s,
H,32,1.13,s,
H,33,1.77,ddd,"12.4,4.3,2.1"
H,34,1.77,ddd,"12.9,12.4,4.4"
H,35,2.48,ddd,"12.9,12.4,2.1"
H,36,2.48,ddd,"12.4,4.4,4.3"
H,37,1.84,s,
H,38,1.84,s,
H,39,1.84,s,
H,40,4.88,dd,"8.9,6.1"
H,41,2.08,dd,"12.4,8.9"
H,42,2.08,dd,"12.4,6.1"
