C,1,18.55,s,
C,2,28.77,s,
C,3,35.12,s,
C,4,50.4,s,
N,5,,,
C,6,36.9,s,
C,7,166.34,s,
C,8,121.71,s,
C,9,,,
O,10,,,
C,11,40.4,s,
C,12,77.06,s,
C,13,31.28,s,
C,14,44.92,s,
N,15,,,
C,16,55.0,s,
C,17,21.3,s,
C,18,29.58,s,
C,19,62.1,s,
O,20,,,
H,21,1.32,d,6.7
H,22,1.32,d,6.7
H,23,1.32,d,6.7
H,24,3.47,dqd,"13.6,6.7,4.1"
H,25,2.05,ddd,"13.6,12.4,5.3"
H,26,2.05,ddd,"12.4,4.1,1.0"
H,27,4.28,m,
H,28,,,
H,29,,,
H,30,2.69,dd,"15.4,4.5"
H,31,2.69,dd,"15.4,10.2"
H,32,2.83,dd,"10.0,5.4"
H,33,4.88,ddd,"5.4,4.3,1.9"
H,34,2.08,m,
H,35,2.08,m,
H,36,2.78,ddd,"12.7,12.4,5.6"
H,37,2.78,ddd,"12.4,6.0,1.8"
H,38,2.92,ddd,"10.2,9.4,2.2"
H,39,2.92,td,"9.4,8.1"
H,40,1.9,m,
H,41,1.9,m,
H,42,1.75,m,
H,43,1.75,m,
H,44,3.6,td,"10.0,4.5"
