C,1,38.6,s,
S,2,,,
O,3,,,
C,4,54.4,s,
C,5,22.72,s,
C,6,30.5,s,
C,7,153.0,s,
N,8,,,
O,9,,,
S,10,,,
O,11,,,
O,12,,,
O,13,,,
S,14,,,
C,15,82.5,s,
O,16,,,
C,17,80.8,s,
C,18,61.3,s,
O,19,,,
C,20,70.38,s,
O,21,,,
C,22,77.9,s,
O,23,,,
C,24,73.0,s,
O,25,,,
H,26,2.53,s,
H,27,2.53,s,
H,28,2.53,s,
H,29,2.65,t,6.5
H,30,2.65,t,6.5
H,31,1.96,tt,"6.8,6.5"
H,32,1.96,tt,"6.8,6.5"
H,33,2.05,t,6.8
H,34,2.05,t,6.8
H,35,,,
H,36,5.04,d,1.7
H,37,3.54,dt,"5.8,5.4"
H,38,3.74,d,5.4
H,39,3.74,d,5.4
H,40,,,
H,41,3.81,dd,"5.8,1.8"
H,42,,,
H,43,3.48,dd,"4.4,1.8"
H,44,,,
H,45,3.68,dd,"4.4,1.7"
H,46,,,
