C,1,51.31,s,
O,2,,,
C,3,173.3,s,
O,4,,,
C,5,32.6,s,
C,6,23.6,s,
C,7,18.6,s,
C,8,78.94,s,
C,9,65.55,s,
C,10,76.54,s,
C,11,79.08,s,
C,12,109.49,s,
C,13,146.35,s,
C,14,30.14,s,
C,15,28.84,s,
C,16,28.84,s,
C,17,30.75,s,
C,18,136.77,s,
C,19,126.84,s,
C,20,138.24,s,
C,21,105.99,s,
Br,22,,,
H,23,3.61,s,
H,24,3.61,s,
H,25,3.61,s,
H,26,2.44,t,6.7
H,27,2.44,t,6.7
H,28,1.76,tt,"6.8,6.7"
H,29,1.76,tt,"6.8,6.7"
H,30,2.34,t,6.8
H,31,2.34,t,6.8
H,32,5.75,d,11.0
H,33,6.0,dt,"11.0,7.0"
H,34,2.07,dt,"7.0,6.8"
H,35,2.07,dt,"7.0,6.8"
H,36,1.38,tt,"6.8,6.6"
H,37,1.38,tt,"6.8,6.6"
H,38,1.38,tt,"6.8,6.6"
H,39,1.38,tt,"6.8,6.6"
H,40,2.07,dt,"7.0,6.8"
H,41,2.07,dt,"7.0,6.8"
H,42,5.56,dt,"12.0,7.0"
H,43,6.87,dd,"12.0,11.0"
H,44,6.4,dd,"15.0,11.0"
H,45,5.91,d,15.0
