C,1,19.8,s,
C,2,57.53,s,
N,3,,,
C,4,162.36,s,
O,5,,,
N,6,,,
S,7,,,
O,8,,,
O,9,,,
O,10,,,
C,11,69.71,s,
C,12,77.65,s,
O,13,,,
C,14,88.38,s,
N,15,,,
C,16,140.0,s,
N,17,,,
C,18,117.9,s,
C,19,156.6,s,
N,20,,,
N,21,,,
C,22,153.0,s,
Cl,23,,,
N,24,,,
C,25,150.1,s,
C,26,74.63,s,
O,27,,,
C,28,71.33,s,
O,29,,,
H,30,1.29,d,6.6
H,31,1.29,d,6.6
H,32,1.29,d,6.6
H,33,4.28,q,6.6
H,34,,,
H,35,,,
H,36,,,
H,37,4.3,d,5.3
H,38,4.3,d,5.3
H,39,4.03,td,"5.3,0.8"
H,40,5.96,d,11.2
H,41,8.29,s,
H,42,,,
H,43,,,
H,44,4.74,dd,"11.2,2.7"
H,45,,,
H,46,4.18,dd,"2.7,0.8"
H,47,,,
