C,1,115.7,s,
C,2,141.0,s,
C,3,36.7,s,
C,4,74.0,s,
O,5,,,
C,6,170.15,s,
C,7,21.0,s,
O,8,,,
C,9,64.0,s,
Br,10,,,
C,11,43.5,s,
C,12,22.2,s,
C,13,22.2,s,
C,14,46.9,s,
C,15,30.2,s,
C,16,119.74,s,
C,17,133.0,s,
C,18,23.4,s,
C,19,28.1,s,
C,20,26.0,s,
H,21,4.86,s,
H,22,4.86,s,
H,23,2.52,dd,"15.4,3.8"
H,24,2.52,dd,"15.4,2.4"
H,25,5.25,ddd,"3.8,2.8,2.4"
H,26,2.08,s,
H,27,2.08,s,
H,28,2.08,s,
H,29,4.59,d,2.8
H,30,1.05,s,
H,31,1.05,s,
H,32,1.05,s,
H,33,1.05,s,
H,34,1.05,s,
H,35,1.05,s,
H,36,1.7,dd,"15.4,5.1"
H,37,1.7,dd,"15.4,6.5"
H,38,5.26,dd,"6.5,5.1"
H,39,1.57,s,
H,40,1.57,s,
H,41,1.57,s,
H,42,1.82,ddd,"15.4,6.9,3.0"
H,43,1.82,ddd,"15.4,13.4,5.1"
H,44,2.16,ddd,"12.4,5.1,3.0"
H,45,2.16,ddd,"13.4,12.4,6.9"
