C,1,25.81,s,
C,2,77.48,s,
O,3,,,
C,4,173.25,s,
O,5,,,
N,6,,,
C,7,100.1,s,
C,8,149.75,s,
O,9,,,
N,10,,,
C,11,163.87,s,
O,12,,,
N,13,,,
C,14,141.41,s,
N,15,,,
C,16,49.05,s,
C,17,92.26,s,
O,18,,,
C,19,40.4,s,
C,20,172.96,s,
O,21,,,
O,22,,,
C,23,74.27,s,
C,24,69.19,s,
O,25,,,
C,26,71.15,s,
O,27,,,
C,28,72.4,s,
O,29,,,
C,30,71.15,s,
O,31,,,
C,32,69.19,s,
O,33,,,
C,34,41.86,s,
C,35,162.36,s,
O,36,,,
N,37,,,
C,38,145.91,s,
C,39,119.54,s,
C,40,120.45,s,
Br,41,,,
C,42,121.91,s,
C,43,126.46,s,
C,44,134.28,s,
H,45,1.4,s,
H,46,1.4,s,
H,47,1.4,s,
H,48,,,
H,49,,,
H,50,,,
H,51,,,
H,52,3.58,s,
H,53,3.58,s,
H,54,,,
H,55,2.83,s,
H,56,4.43,dd,"10.5,10.2"
H,57,3.73,dd,"10.5,10.1"
H,58,,,
H,59,3.8,dd,"10.5,10.1"
H,60,,,
H,61,3.63,dd,"10.5,2.9"
H,62,,,
H,63,3.8,dd,"3.3,2.9"
H,64,,,
H,65,3.73,dd,"10.2,3.3"
H,66,,,
H,67,,,
H,68,8.11,dd,"1.4,0.5"
H,69,7.58,dd,"7.4,1.4"
H,70,7.56,dd,"7.4,0.5"
