C,1,24.7,s,
C,2,146.2,s,
C,3,115.8,s,
C,4,166.9,s,
O,5,,,
O,6,,,
C,7,68.82,s,
C,8,36.58,s,
C,9,74.13,s,
C,10,33.06,s,
C,11,26.7,s,
C,12,35.87,s,
C,13,20.91,s,
C,14,139.51,s,
C,15,126.66,s,
C,16,129.1,s,
C,17,130.7,s,
C,18,28.83,s,
C,19,36.0,s,
O,20,,,
C,21,105.64,s,
O,22,,,
C,23,156.32,s,
O,24,,,
N,25,,,
C,26,49.05,s,
C,27,28.84,s,
Br,28,,,
C,29,57.53,s,
C,30,34.51,s,
S,31,,,
C,32,162.25,s,
O,33,,,
N,34,,,
C,35,40.68,s,
H,36,1.91,s,
H,37,1.91,s,
H,38,1.91,s,
H,39,5.68,s,
H,40,4.83,m,
H,41,2.12,ddd,"12.4,7.8,5.1"
H,42,2.12,ddd,"12.4,11.9,8.7"
H,43,4.83,m,
H,44,1.43,m,
H,45,1.43,m,
H,46,1.49,m,
H,47,1.49,m,
H,48,2.46,m,
H,49,0.93,d,6.7
H,50,0.93,d,6.7
H,51,0.93,d,6.7
H,52,6.16,d,3.2
H,53,6.18,d,3.2
H,54,6.22,d,3.2
H,55,5.56,dd,"7.3,3.4"
H,56,2.21,m,
H,57,2.21,m,
H,58,2.55,ddd,"15.4,11.3,8.0"
H,59,2.55,ddd,"15.4,7.3,1.3"
H,60,,,
H,61,3.58,t,6.3
H,62,3.58,t,6.3
H,63,3.75,t,6.3
H,64,3.75,t,6.3
H,65,4.28,dd,"10.0,3.1"
H,66,3.23,dd,"12.4,3.1"
H,67,3.23,dd,"12.4,10.0"
H,68,,,
H,69,2.35,dd,"12.4,10.6"
H,70,2.35,dd,"12.4,2.1"
