C,1,11.97,s,
S,2,,,
C,3,169.1,s,
O,4,,,
N,5,,,
C,6,37.35,s,
C,7,141.66,s,
C,8,109.75,s,
C,9,132.3,s,
C,10,127.7,s,
C,11,129.0,s,
C,12,129.35,s,
C,13,129.0,s,
C,14,127.7,s,
H,15,2.5,s,
H,16,2.5,s,
H,17,2.5,s,
H,18,3.01,s,
H,19,3.01,s,
H,20,3.01,s,
H,21,7.69,d,14.0
H,22,6.32,d,14.0
H,23,7.55,m,
H,24,7.36,m,
H,25,7.31,ddt,"7.4,6.9,1.4"
H,26,7.36,m,
H,27,7.55,m,
