C,1,12.85,s,
C,2,120.71,s,
C,3,142.04,s,
C,4,51.67,s,
N,5,,,
C,6,173.63,s,
O,7,,,
C,8,53.0,s,
C,9,134.28,s,
C,10,120.6,s,
C,11,104.5,s,
C,12,158.96,s,
O,13,,,
C,14,55.46,s,
C,15,101.61,s,
C,16,141.74,s,
N,17,,,
O,18,,,
C,19,62.63,s,
C,20,38.34,s,
C,21,62.1,s,
C,22,40.4,s,
C,23,70.43,s,
O,24,,,
C,25,78.41,s,
C,26,35.12,s,
C,27,42.38,s,
H,28,1.65,d,7.0
H,29,1.65,d,7.0
H,30,1.65,d,7.0
H,31,5.45,q,7.0
H,32,3.82,s,
H,33,3.82,s,
H,34,7.56,dd,"9.3,0.5"
H,35,6.93,dd,"9.3,1.9"
H,36,3.84,s,
H,37,3.84,s,
H,38,3.84,s,
H,39,7.09,dd,"1.9,0.5"
H,40,,,
H,41,4.0,s,
H,42,4.0,s,
H,43,4.0,s,
H,44,2.15,dd,"12.4,7.5"
H,45,2.15,dd,"12.4,1.4"
H,46,3.6,ddd,"8.8,7.5,1.4"
H,47,2.83,m,
H,48,4.04,dd,"9.4,2.9"
H,49,4.04,dd,"9.4,2.5"
H,50,4.77,dd,"7.5,1.4"
H,51,1.88,ddd,"12.4,11.0,7.5"
H,52,1.88,ddd,"12.4,4.0,1.4"
H,53,2.99,ddd,"11.0,4.4,4.0"
