C,1,16.5,s,
S,2,,,
C,3,37.9,s,
C,4,58.0,s,
C,5,140.0,s,
N,6,,,
C,7,139.2,s,
C,8,115.75,s,
C,9,128.3,s,
C,10,121.6,s,
C,11,102.55,s,
Br,12,,,
C,13,146.45,s,
O,14,,,
C,15,117.25,s,
C,16,110.35,s,
C,17,134.8,s,
N,18,,,
C,19,132.8,s,
C,20,61.8,s,
N,21,,,
C,22,43.5,s,
H,23,2.16,s,
H,24,2.16,s,
H,25,2.16,s,
H,26,3.23,d,6.0
H,27,3.23,d,6.0
H,28,4.28,t,6.0
H,29,8.19,d,4.5
H,30,7.12,d,4.5
H,31,,,
H,32,6.91,d,7.1
H,33,7.55,d,7.1
H,34,4.78,s,
H,35,4.78,s,
H,36,3.01,s,
H,37,3.01,s,
H,38,3.01,s,
