C,1,118.69,s,
C,2,150.58,s,
C,3,185.79,s,
O,4,,,
C,5,129.33,s,
C,6,144.6,s,
C,7,41.72,s,
C,8,23.34,s,
C,9,23.34,s,
C,10,41.86,s,
C,11,42.67,s,
C,12,62.56,s,
Br,13,,,
C,14,69.3,s,
C,15,33.9,s,
Cl,16,,,
C,17,46.3,s,
C,18,78.41,s,
O,19,,,
C,20,170.18,s,
C,21,21.24,s,
O,22,,,
H,23,5.27,s,
H,24,5.27,s,
H,25,6.27,d,12.0
H,26,6.3,d,12.0
H,27,1.1,s,
H,28,1.1,s,
H,29,1.1,s,
H,30,1.1,s,
H,31,1.1,s,
H,32,1.1,s,
H,33,2.05,dd,"12.4,11.4"
H,34,2.05,dd,"12.4,1.3"
H,35,4.08,dd,"11.4,1.3"
H,36,1.79,s,
H,37,1.79,s,
H,38,1.79,s,
H,39,2.96,dd,"12.4,10.0"
H,40,2.96,dd,"12.4,8.1"
H,41,4.77,dd,"10.0,8.1"
H,42,2.01,s,
H,43,2.01,s,
H,44,2.01,s,
