C,1,16.09,s,
C,2,49.43,s,
N,3,,,
C,4,171.36,s,
O,5,,,
O,6,,,
C,7,74.35,s,
C,8,102.46,s,
O,9,,,
C,10,105.24,s,
C,11,63.63,s,
O,12,,,
O,13,,,
C,14,82.87,s,
C,15,63.79,s,
O,16,,,
C,17,72.17,s,
O,18,,,
C,19,78.06,s,
O,20,,,
O,21,,,
C,22,79.5,s,
C,23,62.1,s,
O,24,,,
C,25,71.62,s,
O,26,,,
C,27,73.74,s,
O,28,,,
H,29,1.29,d,6.6
H,30,1.29,d,6.6
H,31,1.29,d,6.6
H,32,4.28,q,6.6
H,33,,,
H,34,,,
H,35,4.7,dd,"4.9,1.0"
H,36,5.69,d,1.0
H,37,3.6,s,
H,38,3.6,s,
H,39,,,
H,40,3.87,dt,"6.7,5.4"
H,41,3.8,d,5.4
H,42,3.8,d,5.4
H,43,,,
H,44,3.77,dd,"6.7,1.5"
H,45,,,
H,46,4.2,d,1.5
H,47,,,
H,48,3.64,dt,"7.8,5.4"
H,49,4.04,d,5.4
H,50,4.04,d,5.4
H,51,,,
H,52,3.83,dd,"7.8,3.2"
H,53,,,
H,54,3.91,dd,"4.9,3.2"
H,55,,,
