C,1,36.21,s,
N,2,,,
N,3,,,
N,4,,,
N,5,,,
C,6,155.1,s,
S,7,,,
C,8,31.15,s,
C,9,120.3,s,
C,10,131.99,s,
C,11,168.68,s,
O,12,,,
O,13,,,
N,14,,,
C,15,165.7,s,
O,16,,,
C,17,58.65,s,
N,18,,,
C,19,171.49,s,
O,20,,,
C,21,71.83,s,
O,22,,,
C,23,140.13,s,
C,24,126.9,s,
C,25,128.2,s,
C,26,127.75,s,
C,27,128.2,s,
C,28,126.9,s,
C,29,58.0,s,
S,30,,,
C,31,27.3,s,
H,32,3.92,s,
H,33,3.92,s,
H,34,3.92,s,
H,35,4.49,s,
H,36,4.49,s,
H,37,,,
H,38,5.64,dd,"9.3,7.0"
H,39,7.4,d,7.0
H,40,4.52,s,
H,41,,,
H,42,7.27,m,
H,43,7.37,m,
H,44,7.32,ddt,"7.3,7.2,1.4"
H,45,7.37,m,
H,46,7.27,m,
H,47,5.1,d,9.3
H,48,3.72,s,
H,49,3.72,s,
