C,1,16.5,s,
S,2,,,
C,3,37.9,s,
C,4,58.0,s,
C,5,137.98,s,
N,6,,,
C,7,139.03,s,
C,8,113.9,s,
C,9,126.64,s,
C,10,134.8,s,
N,11,,,
C,12,137.2,s,
C,13,112.23,s,
C,14,117.25,s,
C,15,146.45,s,
O,16,,,
C,17,102.55,s,
Br,18,,,
C,19,121.6,s,
N,20,,,
C,21,41.56,s,
C,22,41.56,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,4.2
H,30,7.12,d,4.2
H,31,,,
H,32,7.32,d,6.5
H,33,6.91,d,6.5
H,34,,,
H,35,2.38,s,
H,36,2.38,s,
H,37,2.38,s,
H,38,2.38,s,
H,39,2.38,s,
H,40,2.38,s,
