N,1,,,
C,2,57.53,s,
C,3,54.9,s,
S,4,,,
O,5,,,
C,6,80.81,s,
O,7,,,
N,8,,,
C,9,53.8,s,
C,10,18.2,s,
C,11,108.26,s,
C,12,134.08,s,
N,13,,,
C,14,135.75,s,
C,15,113.69,s,
C,16,115.4,s,
Br,17,,,
C,18,122.6,s,
C,19,120.0,s,
C,20,127.08,s,
C,21,57.53,s,
H,22,,,
H,23,,,
H,24,3.42,ddd,"4.1,3.5,1.2"
H,25,3.37,dd,"12.4,3.5"
H,26,3.37,dd,"12.4,4.1"
H,27,4.61,s,
H,28,4.61,s,
H,29,3.57,ddd,"12.4,9.8,8.5"
H,30,3.57,ddd,"12.4,10.1,1.1"
H,31,2.9,ddd,"15.4,10.1,9.8"
H,32,2.9,ddd,"15.4,8.5,1.1"
H,33,,,
H,34,7.65,dd,"1.4,0.5"
H,35,7.12,dd,"6.9,1.4"
H,36,7.67,dd,"6.9,0.5"
H,37,4.28,d,1.2
