C,1,82.4,s,
C,2,80.0,s,
C,3,110.8,s,
C,4,141.1,s,
C,5,35.1,s,
C,6,64.75,s,
Cl,7,,,
C,8,75.05,s,
C,9,38.03,s,
C,10,54.75,s,
Br,11,,,
C,12,73.63,s,
C,13,133.32,s,
C,14,133.32,s,
C,15,74.32,s,
C,16,27.87,s,
C,17,9.17,s,
O,18,,,
C,19,56.13,s,
O,20,,,
H,21,3.05,s,
H,22,5.51,d,11.0
H,23,5.83,dt,"11.0,7.0"
H,24,2.05,dd,"7.0,6.1"
H,25,2.05,dd,"7.0,6.1"
H,26,4.12,td,"6.1,4.8"
H,27,4.62,ddd,"10.4,5.6,4.8"
H,28,2.18,ddd,"12.4,10.4,5.0"
H,29,2.18,ddd,"12.4,5.6,0.5"
H,30,4.61,ddd,"6.3,5.0,0.5"
H,31,4.52,dd,"7.0,6.3"
H,32,6.14,dd,"11.0,7.0"
H,33,6.14,dd,"11.0,7.0"
H,34,5.19,dt,"7.0,5.9"
H,35,1.67,qd,"7.0,5.9"
H,36,1.67,qd,"7.0,5.9"
H,37,0.9,t,7.0
H,38,0.9,t,7.0
H,39,0.9,t,7.0
H,40,3.15,s,
H,41,3.15,s,
H,42,3.15,s,
