C,1,42.6,s,
N,2,,,
C,3,61.6,s,
N,4,,,
C,5,134.8,s,
C,6,110.35,s,
C,7,117.25,s,
C,8,146.45,s,
O,9,,,
C,10,102.55,s,
Br,11,,,
C,12,121.6,s,
C,13,127.95,s,
C,14,115.75,s,
C,15,139.03,s,
N,16,,,
C,17,137.98,s,
C,18,132.4,s,
C,19,57.53,s,
C,20,42.92,s,
S,21,,,
C,22,27.15,s,
O,23,,,
H,24,3.01,s,
H,25,3.01,s,
H,26,3.01,s,
H,27,4.78,s,
H,28,4.78,s,
H,29,7.55,d,7.2
H,30,6.91,d,7.2
H,31,,,
H,32,7.12,d,3.7
H,33,8.19,d,3.7
H,34,4.28,t,6.0
H,35,4.76,d,6.0
H,36,4.76,d,6.0
H,37,3.08,s,
H,38,3.08,s,
H,39,3.08,s,
