C,1,24.57,s,
C,2,26.63,s,
C,3,56.51,s,
N,4,,,
C,5,57.16,s,
C,6,34.69,s,
C,7,27.78,s,
C,8,34.69,s,
C,9,57.16,s,
N,10,,,
C,11,56.51,s,
C,12,26.63,s,
C,13,24.57,s,
C,14,30.75,s,
C,15,65.45,s,
C,16,65.45,s,
C,17,30.75,s,
O,18,,,
S,19,,,
O,20,,,
O,21,,,
O,22,,,
H,23,1.52,m,
H,24,1.52,m,
H,25,1.56,m,
H,26,1.56,m,
H,27,2.53,ddd,"12.4,9.8,1.7"
H,28,2.53,ddd,"12.4,10.1,7.2"
H,29,3.31,dd,"12.4,3.7"
H,30,3.31,dd,"12.4,10.2"
H,31,2.83,m,
H,32,1.83,ddd,"12.4,3.9,1.8"
H,33,1.83,ddd,"12.4,4.2,1.2"
H,34,2.83,m,
H,35,3.31,dd,"12.4,10.0"
H,36,3.31,dd,"12.4,2.6"
H,37,2.53,ddd,"12.4,10.1,8.6"
H,38,2.53,ddd,"12.4,8.3,1.0"
H,39,1.56,m,
H,40,1.56,m,
H,41,1.52,m,
H,42,1.52,m,
H,43,2.3,m,
H,44,2.3,m,
H,45,3.6,ddd,"11.8,5.3,3.1"
H,46,3.6,ddd,"11.5,3.0,1.4"
H,47,2.3,m,
H,48,2.3,m,
H,49,,,
H,50,,,
