C,1,25.81,s,
C,2,77.48,s,
O,3,,,
C,4,157.99,s,
N,5,,,
C,6,141.74,s,
C,7,149.75,s,
O,8,,,
N,9,,,
C,10,163.87,s,
O,11,,,
N,12,,,
C,13,141.41,s,
N,14,,,
C,15,49.88,s,
C,16,40.4,s,
C,17,52.6,s,
C,18,172.96,s,
O,19,,,
O,20,,,
C,21,74.27,s,
C,22,69.19,s,
O,23,,,
C,24,71.15,s,
O,25,,,
C,26,72.4,s,
O,27,,,
C,28,71.15,s,
O,29,,,
C,30,69.19,s,
O,31,,,
C,32,41.86,s,
C,33,162.36,s,
O,34,,,
N,35,,,
C,36,145.91,s,
C,37,119.54,s,
C,38,120.45,s,
Br,39,,,
C,40,121.91,s,
C,41,126.46,s,
C,42,134.28,s,
H,43,1.4,s,
H,44,1.4,s,
H,45,1.4,s,
H,46,,,
H,47,,,
H,48,,,
H,49,,,
H,50,3.21,dd,"13.4,12.2"
H,51,3.21,dd,"13.4,5.8"
H,52,2.83,ddd,"12.2,8.1,5.8"
H,53,3.08,d,8.1
H,54,4.43,dd,"9.6,4.5"
H,55,3.73,dd,"5.2,4.5"
H,56,,,
H,57,3.8,dd,"5.2,3.5"
H,58,,,
H,59,3.63,dd,"3.5,1.0"
H,60,,,
H,61,3.8,dd,"7.8,1.0"
H,62,,,
H,63,3.73,dd,"9.6,7.8"
H,64,,,
H,65,,,
H,66,8.11,dd,"1.4,0.5"
H,67,7.58,dd,"7.8,1.4"
H,68,7.56,dd,"7.8,0.5"
