C,1,19.8,s,
C,2,57.53,s,
N,3,,,
C,4,162.36,s,
O,5,,,
C,6,57.53,s,
C,7,75.26,s,
O,8,,,
C,9,66.8,s,
O,10,,,
C,11,141.7,s,
N,12,,,
N,13,,,
C,14,169.7,s,
O,15,,,
C,16,68.51,s,
O,17,,,
C,18,171.45,s,
O,19,,,
C,20,61.74,s,
C,21,26.69,s,
C,22,66.67,s,
O,23,,,
N,24,,,
C,25,162.36,s,
O,26,,,
C,27,57.53,s,
C,28,29.71,s,
C,29,34.93,s,
C,30,62.1,s,
C,31,30.9,s,
C,32,30.9,s,
N,33,,,
N,34,,,
C,35,167.36,s,
O,36,,,
C,37,56.6,s,
C,38,41.56,s,
C,39,46.15,s,
Br,40,,,
C,41,49.05,s,
N,42,,,
N,43,,,
C,44,167.36,s,
O,45,,,
H,46,1.72,d,6.5
H,47,1.72,d,6.5
H,48,1.72,d,6.5
H,49,4.33,q,6.5
H,50,,,
H,51,4.28,d,3.4
H,52,4.06,dd,"5.0,3.4"
H,53,,,
H,54,5.44,dd,"5.0,3.7"
H,55,,,
H,56,6.94,d,3.7
H,57,4.23,s,
H,58,4.23,s,
H,59,1.41,s,
H,60,1.41,s,
H,61,1.41,s,
H,62,3.7,s,
H,63,3.7,s,
H,64,,,
H,65,,,
H,66,4.28,dd,"11.3,1.5"
H,67,1.84,m,
H,68,1.84,m,
H,69,1.99,ddd,"12.4,3.7,3.5"
H,70,1.99,ddd,"13.9,12.4,2.7"
H,71,1.41,s,
H,72,1.41,s,
H,73,1.41,s,
H,74,1.41,s,
H,75,1.41,s,
H,76,1.41,s,
H,77,,,
H,78,5.7,dd,"10.1,3.4"
H,79,2.05,ddd,"12.4,10.1,6.0"
H,80,2.05,ddd,"12.4,11.6,3.4"
H,81,4.61,m,
H,82,3.58,dd,"12.4,7.1"
H,83,3.58,dd,"12.4,10.4"
H,84,,,
