O,1,,,
C,2,161.74,s,
N,3,,,
C,4,49.76,s,
C,5,23.85,s,
C,6,30.26,s,
C,7,38.61,s,
C,8,30.26,s,
C,9,25.78,s,
C,10,27.09,s,
C,11,33.88,s,
C,12,53.83,s,
N,13,,,
C,14,49.76,s,
C,15,25.96,s,
C,16,21.45,s,
C,17,32.79,s,
C,18,172.36,s,
O,19,,,
C,20,57.53,s,
H,21,8.25,s,
H,22,3.44,ddd,"12.4,6.6,2.0"
H,23,3.44,ddd,"12.4,12.2,5.8"
H,24,1.56,m,
H,25,1.56,m,
H,26,1.58,m,
H,27,1.58,m,
H,28,2.14,m,
H,29,1.58,m,
H,30,1.58,m,
H,31,1.37,m,
H,32,1.37,m,
H,33,1.58,m,
H,34,1.58,m,
H,35,2.83,m,
H,36,3.31,d,6.2
H,37,3.31,d,6.2
H,38,3.34,ddd,"12.4,9.7,1.6"
H,39,3.34,ddd,"12.4,10.1,8.9"
H,40,1.7,m,
H,41,1.7,m,
H,42,1.66,m,
H,43,1.66,m,
H,44,2.6,ddd,"15.4,3.7,3.1"
H,45,2.6,ddd,"15.4,13.5,3.8"
H,46,4.28,dd,"10.2,2.7"
