C,1,35.5,s,
N,2,,,
C,3,129.4,s,
C,4,123.6,s,
C,5,116.7,s,
C,6,123.5,s,
C,7,171.1,s,
O,8,,,
C,9,168.7,s,
O,10,,,
C,11,87.3,s,
Br,12,,,
C,13,150.4,s,
N,14,,,
C,15,42.0,s,
C,16,18.9,s,
H,17,4.27,s,
H,18,4.27,s,
H,19,4.27,s,
H,20,7.45,s,
H,21,,,
H,22,3.11,ddd,"12.4,10.0,8.8"
H,23,3.11,ddd,"12.4,8.8,1.5"
H,24,2.9,ddd,"15.4,10.0,8.8"
H,25,2.9,ddd,"15.4,8.8,1.5"
