C,1,52.32,s,
O,2,,,
C,3,171.36,s,
O,4,,,
C,5,57.53,s,
N,6,,,
C,7,157.99,s,
C,8,125.38,s,
C,9,131.87,s,
C,10,30.14,s,
C,11,29.09,s,
C,12,29.07,s,
C,13,30.0,s,
C,14,29.31,s,
C,15,28.86,s,
C,16,29.03,s,
C,17,28.84,s,
C,18,27.2,s,
C,19,127.06,s,
C,20,,,
Cl,21,,,
Br,22,,,
H,23,3.68,s,
H,24,3.68,s,
H,25,3.68,s,
H,26,4.28,s,
H,27,7.06,d,12.0
H,28,5.83,dt,"12.0,7.0"
H,29,2.07,dt,"7.0,6.8"
H,30,2.07,dt,"7.0,6.8"
H,31,1.32,tt,"6.8,6.6"
H,32,1.32,tt,"6.8,6.6"
H,33,1.3,m,6.6
H,34,1.3,m,6.6
H,35,1.26,m,6.6
H,36,1.26,m,6.6
H,37,1.26,m,6.6
H,38,1.26,m,6.6
H,39,1.26,m,6.6
H,40,1.26,m,6.6
H,41,1.29,m,6.6
H,42,1.29,m,6.6
H,43,1.38,tt,"6.8,6.6"
H,44,1.38,tt,"6.8,6.6"
H,45,2.18,dt,"7.0,6.8"
H,46,2.18,dt,"7.0,6.8"
H,47,6.44,t,7.0
