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,11,35.28,s,
C,12,40.5,s,
C,13,71.3,s,
C,14,23.6,s,
Cl,15,,,
C,16,60.8,s,
Br,17,,,
C,18,42.67,s,
H,19,4.74,s,
H,20,4.74,s,
H,21,2.52,dd,"15.4,9.3"
H,22,2.52,dd,"15.4,6.5"
H,23,3.93,m,
H,24,,,
H,25,2.1,dd,"12.4,8.7"
H,26,2.1,dd,"12.4,6.6"
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,33,1.72,ddd,"13.3,12.4,4.8"
H,34,1.72,ddd,"12.4,4.5,3.2"
H,35,2.38,ddd,"13.3,12.4,4.5"
H,36,2.38,ddd,"12.4,4.8,3.2"
H,37,1.79,s,
H,38,1.79,s,
H,39,1.79,s,
H,40,4.08,dd,"8.1,7.2"
H,41,2.05,dd,"12.4,7.2"
H,42,2.05,dd,"12.4,8.1"
