C,1,40.4,s,
N,2,,,
C,3,57.2,s,
C,4,22.8,s,
C,5,26.6,s,
C,6,65.9,s,
C,7,59.35,s,
S,8,,,
S,9,,,
C,10,47.5,s,
C,11,78.2,s,
O,12,,,
H,13,2.35,s,
H,14,2.35,s,
H,15,2.35,s,
H,16,3.34,ddd,"11.1,9.4,6.9"
H,17,3.34,ddd,"9.4,8.6,0.8"
H,18,1.9,m,
H,19,1.9,m,
H,20,1.84,m,
H,21,1.84,m,
H,22,4.28,ddd,"10.0,5.3,3.8"
H,23,4.42,dd,"9.3,5.3"
H,24,2.89,dd,"12.4,2.9"
H,25,2.89,dd,"12.4,11.3"
H,26,4.52,ddd,"11.3,9.3,2.9"
H,27,,,
