C,1,34.24,s,
N,2,,,
C,3,57.53,s,
C,4,42.92,s,
S,5,,,
C,6,27.15,s,
O,7,,,
C,8,137.98,s,
N,9,,,
C,10,139.03,s,
C,11,113.9,s,
C,12,126.64,s,
C,13,134.8,s,
N,14,,,
C,15,137.2,s,
C,16,112.23,s,
C,17,117.25,s,
C,18,146.45,s,
O,19,,,
C,20,102.55,s,
Br,21,,,
C,22,121.6,s,
H,23,2.53,s,
H,24,2.53,s,
H,25,2.53,s,
H,26,,,
H,27,4.28,t,6.0
H,28,4.76,d,6.0
H,29,4.76,d,6.0
H,30,3.08,s,
H,31,3.08,s,
H,32,3.08,s,
H,33,8.19,d,5.4
H,34,7.12,d,5.4
H,35,,,
H,36,7.32,d,6.9
H,37,6.91,d,6.9
H,38,,,
