C,1,12.99,s,
C,2,41.44,s,
C,3,179.15,s,
O,4,,,
O,5,,,
C,6,76.57,s,
C,7,45.42,s,
C,8,23.04,s,
C,9,29.99,s,
C,10,45.02,s,
C,11,17.19,s,
C,12,75.6,s,
O,13,,,
C,14,29.49,s,
C,15,35.22,s,
C,16,65.65,s,
C,17,20.54,s,
O,18,,,
C,19,62.18,s,
H,20,1.27,d,6.7
H,21,1.27,d,6.7
H,22,1.27,d,6.7
H,23,2.53,dq,"9.7,6.7"
H,24,5.19,d,8.7
H,25,2.29,m,
H,26,1.85,m,
H,27,1.85,m,
H,28,1.72,ddd,"12.4,5.4,1.5"
H,29,1.72,ddd,"12.5,12.4,3.0"
H,30,1.09,s,
H,31,1.09,s,
H,32,1.09,s,
H,33,4.12,dd,"9.8,8.4"
H,34,,,
H,35,1.8,m,
H,36,1.8,m,
H,37,1.9,ddd,"12.4,4.4,2.7"
H,38,1.9,ddd,"13.4,12.4,4.1"
H,39,1.27,s,
H,40,1.27,s,
H,41,1.27,s,
