C,1,53.0,s,
O,2,,,
C,3,171.45,s,
O,4,,,
C,5,61.74,s,
C,6,73.63,s,
O,7,,,
C,8,42.15,s,
C,9,136.39,s,
C,10,129.36,s,
C,11,25.48,s,
C,12,21.52,s,
C,13,28.16,s,
N,14,,,
C,15,162.36,s,
O,16,,,
C,17,40.4,s,
C,18,33.89,s,
C,19,69.3,s,
O,20,,,
C,21,77.48,s,
C,22,25.81,s,
H,23,3.6,s,
H,24,3.6,s,
H,25,3.6,s,
H,26,4.52,d,5.5
H,27,,,
H,28,2.87,m,
H,29,6.16,dd,"11.0,3.6"
H,30,5.83,ddd,"11.0,5.4,2.6"
H,31,1.84,m,
H,32,1.84,m,
H,33,2.22,m,
H,34,2.22,m,
H,35,1.58,m,
H,36,1.58,m,
H,37,,,
H,38,2.83,dd,"11.1,6.7"
H,39,1.79,m,
H,40,1.79,m,
H,41,3.95,ddd,"10.0,9.2,6.4"
H,42,3.95,ddd,"9.3,6.4,2.0"
H,43,1.4,s,
H,44,1.4,s,
H,45,1.4,s,
