C,1,13.34,s,
C,2,40.64,s,
C,3,177.5,s,
O,4,,,
O,5,,,
C,6,74.81,s,
C,7,50.4,s,
C,8,65.35,s,
O,9,,,
C,10,42.83,s,
C,11,41.5,s,
C,12,13.9,s,
C,13,78.0,s,
O,14,,,
C,15,27.1,s,
C,16,22.7,s,
C,17,44.9,s,
C,18,,,
O,19,,,
C,20,54.73,s,
H,21,1.6,d,6.7
H,22,1.6,d,6.7
H,23,1.6,d,6.7
H,24,2.63,dq,"9.7,6.7"
H,25,4.98,dd,"10.7,1.5"
H,26,2.85,ddd,"10.7,9.7,2.9"
H,27,3.96,ddd,"8.3,2.9,1.1"
H,28,,,
H,29,2.1,dd,"12.4,1.1"
H,30,2.1,dd,"12.4,8.3"
H,31,1.04,s,
H,32,1.04,s,
H,33,1.04,s,
H,34,3.34,dd,"2.7,1.9"
H,35,,,
H,36,1.79,m,
H,37,1.79,m,
H,38,2.41,m,
H,39,2.41,m,
H,40,2.57,m,
H,41,9.35,d,1.3
H,42,1.86,dd,"11.6,1.5"
