C,1,14.0,s,
C,2,79.9,s,
O,3,,,
C,4,90.67,s,
C,5,33.6,s,
C,6,67.0,s,
N,7,,,
C,8,162.6,s,
O,9,,,
C,10,77.0,s,
C,11,60.5,s,
O,12,,,
S,13,,,
S,14,,,
C,15,75.1,s,
C,16,43.4,s,
C,17,82.1,s,
O,18,,,
C,19,73.63,s,
O,20,,,
C,21,165.0,s,
O,22,,,
N,23,,,
C,24,27.2,s,
C,25,,,
O,26,,,
C,27,47.3,s,
C,28,18.65,s,
C,29,18.65,s,
H,30,1.31,d,6.2
H,31,1.31,d,6.2
H,32,1.31,d,6.2
H,33,4.52,q,6.2
H,34,2.49,dd,"12.4,11.7"
H,35,2.49,dd,"12.4,7.2"
H,36,3.84,dd,"11.7,7.2"
H,37,4.1,s,
H,38,4.1,s,
H,39,,,
H,40,2.05,s,
H,41,2.05,s,
H,42,,,
H,43,4.52,s,
H,44,,,
H,45,3.35,s,
H,46,3.35,s,
H,47,3.35,s,
H,48,1.15,s,
H,49,1.15,s,
H,50,1.15,s,
H,51,1.15,s,
H,52,1.15,s,
H,53,1.15,s,
