C,1,51.31,s,
O,2,,,
C,3,173.38,s,
O,4,,,
C,5,33.23,s,
C,6,25.99,s,
C,7,29.95,s,
C,8,130.52,s,
C,9,130.56,s,
C,10,29.61,s,
C,11,29.42,s,
C,12,29.07,s,
C,13,28.86,s,
C,14,29.09,s,
C,15,28.29,s,
C,16,28.26,s,
C,17,18.9,s,
C,18,98.85,s,
C,19,82.4,s,
C,20,127.06,s,
C,21,111.32,s,
Br,22,,,
H,23,3.61,s,
H,24,3.61,s,
H,25,3.61,s,
H,26,2.25,t,6.7
H,27,2.25,t,6.7
H,28,1.42,tt,"6.8,6.7"
H,29,1.42,tt,"6.8,6.7"
H,30,1.96,dt,"7.0,6.8"
H,31,1.96,dt,"7.0,6.8"
H,32,5.33,dt,"15.0,7.0"
H,33,5.34,dt,"15.0,7.0"
H,34,2.02,dt,"7.0,6.8"
H,35,2.02,dt,"7.0,6.8"
H,36,1.31,tt,"6.8,6.6"
H,37,1.31,tt,"6.8,6.6"
H,38,1.3,m,6.6
H,39,1.3,m,6.6
H,40,1.26,m,6.6
H,41,1.26,m,6.6
H,42,1.24,m,6.6
H,43,1.24,m,6.6
H,44,1.36,m,6.6
H,45,1.36,m,6.6
H,46,1.37,tt,"6.8,6.6"
H,47,1.37,tt,"6.8,6.6"
H,48,2.21,t,6.8
H,49,2.21,t,6.8
H,50,6.44,d,9.0
H,51,6.29,d,9.0
