C,1,112.95,s,
C,2,144.9,s,
C,3,41.3,s,
C,4,22.88,s,
C,5,22.88,s,
C,6,64.4,s,
C,7,34.8,s,
C,8,53.15,s,
N,9,,,
C,10,36.95,s,
C,11,84.45,s,
N,12,,,
C,13,138.54,s,
C,14,134.28,s,
C,15,126.46,s,
C,16,131.62,s,
C,17,120.64,s,
Br,18,,,
C,19,130.1,s,
C,20,28.53,s,
C,21,122.75,s,
C,22,132.59,s,
C,23,21.87,s,
C,24,21.87,s,
H,25,5.16,dd,"12.0,2.5"
H,26,5.16,dd,"16.0,2.5"
H,27,5.97,dd,"16.0,12.0"
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,33,1.1,s,
H,34,2.18,ddd,"12.4,10.7,6.8"
H,35,2.18,ddd,"12.4,11.2,3.4"
H,36,3.34,ddd,"11.2,9.4,6.8"
H,37,3.34,ddd,"10.7,9.4,3.4"
H,38,2.3,s,
H,39,2.3,s,
H,40,2.3,s,
H,41,5.27,s,
H,42,,,
H,43,7.56,d,7.3
H,44,7.62,d,7.3
H,45,3.36,d,7.0
H,46,3.36,d,7.0
H,47,5.09,t,7.0
H,48,1.67,s,
H,49,1.67,s,
H,50,1.67,s,
H,51,1.67,s,
H,52,1.67,s,
H,53,1.67,s,
