C,1,55.95,s,
O,2,,,
C,3,147.7,s,
C,4,111.3,s,
C,5,128.5,s,
C,6,128.6,s,
C,7,109.0,s,
C,8,147.3,s,
O,9,,,
C,10,55.78,s,
C,11,63.1,s,
C,12,38.4,s,
C,13,18.4,s,
C,14,135.1,s,
C,15,124.1,s,
C,16,111.7,s,
C,17,145.1,s,
O,18,,,
C,19,55.7,s,
C,20,150.2,s,
O,21,,,
C,22,60.1,s,
C,23,128.6,s,
C,24,54.5,s,
N,25,,,
C,26,51.5,s,
C,27,29.4,s,
H,28,3.8,s,
H,29,3.8,s,
H,30,3.8,s,
H,31,6.55,d,0.5
H,32,6.64,d,0.5
H,33,3.8,s,
H,34,3.8,s,
H,35,3.8,s,
H,36,4.83,d,11.4
H,37,3.91,dq,"11.4,6.7"
H,38,1.66,d,6.7
H,39,1.66,d,6.7
H,40,1.66,d,6.7
H,41,7.03,d,7.9
H,42,6.52,d,7.9
H,43,3.87,s,
H,44,3.87,s,
H,45,3.87,s,
H,46,3.84,s,
H,47,3.84,s,
H,48,3.84,s,
H,49,4.25,s,
H,50,4.25,s,
H,51,3.29,ddd,"12.4,9.5,0.6"
H,52,3.29,ddd,"12.4,9.7,8.9"
H,53,3.09,ddd,"15.4,9.7,9.5"
H,54,3.09,ddd,"15.4,8.9,0.6"
