C,1,12.72,s,
C,2,118.86,s,
C,3,140.39,s,
C,4,46.86,s,
N,5,,,
C,6,57.09,s,
C,7,34.0,s,
C,8,53.0,s,
C,9,174.7,s,
O,10,,,
N,11,,,
O,12,,,
C,13,63.4,s,
C,14,139.75,s,
C,15,101.61,s,
C,16,158.96,s,
O,17,,,
C,18,55.46,s,
C,19,104.5,s,
C,20,120.6,s,
C,21,132.0,s,
C,22,78.41,s,
C,23,35.12,s,
C,24,42.38,s,
C,25,40.4,s,
C,26,70.43,s,
O,27,,,
H,28,1.67,d,7.0
H,29,1.67,d,7.0
H,30,1.67,d,7.0
H,31,5.45,q,7.0
H,32,4.69,s,
H,33,4.69,s,
H,34,,,
H,35,3.7,ddd,"8.5,7.9,2.9"
H,36,2.15,dd,"12.4,8.5"
H,37,2.15,dd,"12.4,7.9"
H,38,3.73,s,
H,39,3.73,s,
H,40,3.73,s,
H,41,7.09,dd,"1.9,0.5"
H,42,3.84,s,
H,43,3.84,s,
H,44,3.84,s,
H,45,6.93,dd,"9.4,1.9"
H,46,7.56,dd,"9.4,0.5"
H,47,4.77,dd,"8.4,1.0"
H,48,1.88,ddd,"12.4,8.6,1.0"
H,49,1.88,ddd,"12.4,9.3,8.4"
H,50,2.99,ddd,"9.3,8.6,4.0"
H,51,2.83,tdd,"4.0,2.9,2.6"
H,52,4.04,dd,"9.4,2.6"
H,53,4.04,dd,"9.4,4.0"
