C,1,41.2,s,
N,2,,,
C,3,65.5,s,
C,4,33.7,s,
C,5,66.89,s,
O,6,,,
C,7,172.26,s,
O,8,,,
C,9,54.48,s,
C,10,63.63,s,
O,11,,,
C,12,136.02,s,
C,13,128.51,s,
C,14,128.82,s,
C,15,127.45,s,
C,16,128.82,s,
C,17,128.51,s,
C,18,29.87,s,
C,19,63.83,s,
C,20,75.1,s,
O,21,,,
C,22,34.7,s,
H,23,2.73,s,
H,24,2.73,s,
H,25,2.73,s,
H,26,2.8,m,
H,27,1.9,ddd,"12.4,9.5,5.0"
H,28,1.9,ddd,"12.4,11.4,2.1"
H,29,4.82,m,
H,30,3.83,t,6.1
H,31,3.91,d,6.1
H,32,3.91,d,6.1
H,33,,,
H,34,7.32,m,
H,35,7.32,m,
H,36,7.24,ddt,"7.8,7.3,1.4"
H,37,7.32,m,
H,38,7.32,m,
H,39,2.25,ddd,"12.4,7.5,6.5"
H,40,2.25,ddd,"12.4,10.6,1.2"
H,41,2.8,ddd,"7.5,1.7,1.2"
H,42,4.5,ddd,"9.3,7.7,1.7"
H,43,,,
H,44,1.9,ddd,"12.4,9.3,0.6"
H,45,1.9,ddd,"12.4,7.7,5.5"
