C,1,102.69,s,
C,2,160.76,s,
C,3,33.95,s,
C,4,19.08,s,
C,5,28.16,s,
C,6,35.22,s,
C,7,80.24,s,
C,8,25.96,s,
O,9,,,
C,10,41.86,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,19,4.61,s,
H,20,4.61,s,
H,21,2.31,dqd,"12.3,6.7,6.0"
H,22,1.42,d,6.7
H,23,1.42,d,6.7
H,24,1.42,d,6.7
H,25,1.58,m,
H,26,1.58,m,
H,27,1.9,ddd,"13.3,12.4,5.0"
H,28,1.9,ddd,"12.4,4.4,2.3"
H,29,1.32,s,
H,30,1.32,s,
H,31,1.32,s,
H,32,,,
H,33,1.72,ddd,"12.4,11.9,1.9"
H,34,1.72,ddd,"12.4,4.5,1.6"
H,35,2.38,ddd,"12.4,11.9,1.6"
H,36,2.38,ddd,"12.4,4.5,1.9"
H,37,1.79,s,
H,38,1.79,s,
H,39,1.79,s,
H,40,4.08,dd,"10.4,4.0"
H,41,2.05,dd,"12.4,4.0"
H,42,2.05,dd,"12.4,10.4"
