C,1,55.46,s,
O,2,,,
C,3,158.96,s,
C,4,104.5,s,
C,5,120.6,s,
C,6,132.0,s,
C,7,139.75,s,
C,8,101.61,s,
N,9,,,
O,10,,,
C,11,63.4,s,
C,12,174.7,s,
O,13,,,
C,14,53.0,s,
C,15,34.0,s,
C,16,57.09,s,
N,17,,,
C,18,53.77,s,
C,19,77.48,s,
O,20,,,
C,21,71.22,s,
C,22,16.94,s,
O,23,,,
C,24,46.95,s,
C,25,35.12,s,
C,26,78.41,s,
O,27,,,
C,28,63.9,s,
C,29,38.77,s,
H,30,3.84,s,
H,31,3.84,s,
H,32,3.84,s,
H,33,6.93,dd,"9.3,1.9"
H,34,7.56,dd,"9.3,0.5"
H,35,7.09,dd,"1.9,0.5"
H,36,3.73,s,
H,37,3.73,s,
H,38,3.73,s,
H,39,2.15,dd,"12.4,2.5"
H,40,2.15,dd,"12.4,6.8"
H,41,3.7,ddd,"7.5,6.8,2.5"
H,42,,,
H,43,3.3,s,
H,44,3.3,s,
H,45,,,
H,46,4.49,q,6.2
H,47,1.31,d,6.2
H,48,1.31,d,6.2
H,49,1.31,d,6.2
H,50,,,
H,51,2.13,ddd,"8.8,8.7,2.8"
H,52,1.88,ddd,"12.4,8.8,1.0"
H,53,1.88,ddd,"12.4,9.0,8.7"
H,54,4.77,dd,"9.0,1.0"
H,55,4.04,dd,"9.4,1.5"
H,56,4.04,dd,"9.4,4.7"
H,57,2.27,m,
