C,1,107.66,s,
C,2,151.86,s,
C,3,29.79,s,
C,4,123.3,s,
C,5,144.6,s,
C,6,41.72,s,
C,7,23.34,s,
C,8,23.34,s,
C,9,41.86,s,
C,10,42.67,s,
C,11,60.8,s,
Br,12,,,
C,13,69.3,s,
C,14,33.9,s,
Cl,15,,,
C,16,45.15,s,
C,17,75.84,s,
O,18,,,
H,19,4.74,s,
H,20,4.74,s,
H,21,3.07,dd,"18.4,5.8"
H,22,3.07,dd,"18.4,2.6"
H,23,5.83,ddd,"10.5,5.8,2.6"
H,24,6.3,d,10.5
H,25,1.1,s,
H,26,1.1,s,
H,27,1.1,s,
H,28,1.1,s,
H,29,1.1,s,
H,30,1.1,s,
H,31,2.05,dd,"12.4,7.0"
H,32,2.05,dd,"12.4,8.2"
H,33,4.08,dd,"8.2,7.0"
H,34,1.79,s,
H,35,1.79,s,
H,36,1.79,s,
H,37,2.96,dd,"12.4,5.8"
H,38,2.96,dd,"12.4,11.3"
H,39,4.12,dd,"11.3,5.8"
H,40,,,
