C,1,18.6,s,
C,2,43.3,s,
C,3,40.64,s,
C,4,13.34,s,
C,5,174.45,s,
O,6,,,
O,7,,,
C,8,74.77,s,
C,9,34.43,s,
C,10,53.65,s,
N,11,,,
C,12,62.9,s,
C,13,128.4,s,
C,14,131.7,s,
C,15,62.66,s,
O,16,,,
C,17,179.2,s,
O,18,,,
C,19,74.35,s,
C,20,25.14,s,
O,21,,,
C,22,75.5,s,
H,23,1.05,d,6.7
H,24,1.05,d,6.7
H,25,1.05,d,6.7
H,26,1.98,dq,"9.0,6.7"
H,27,2.63,dq,"9.0,6.7"
H,28,1.25,d,6.7
H,29,1.25,d,6.7
H,30,1.25,d,6.7
H,31,5.43,ddd,"12.0,5.2,3.7"
H,32,2.03,m,
H,33,2.03,m,
H,34,3.16,ddd,"9.7,9.4,1.8"
H,35,3.16,ddd,"9.7,9.5,9.4"
H,36,3.72,dd,"9.4,5.0"
H,37,3.72,dd,"9.4,2.6"
H,38,5.99,dd,"5.0,2.6"
H,39,4.63,s,
H,40,4.63,s,
H,41,1.47,s,
H,42,1.47,s,
H,43,1.47,s,
H,44,,,
H,45,4.38,d,3.7
