C,1,16.94,s,
C,2,71.22,s,
O,3,,,
C,4,77.3,s,
C,5,18.45,s,
O,6,,,
C,7,172.75,s,
O,8,,,
O,9,,,
C,10,64.45,s,
C,11,41.3,s,
C,12,29.9,s,
C,13,58.25,s,
N,14,,,
C,15,54.85,s,
C,16,33.14,s,
C,17,76.59,s,
O,18,,,
C,19,164.87,s,
O,20,,,
C,21,110.48,s,
C,22,129.97,s,
C,23,119.2,s,
C,24,135.86,s,
C,25,117.64,s,
C,26,161.88,s,
O,27,,,
C,28,65.95,s,
H,29,1.31,d,6.2
H,30,1.31,d,6.2
H,31,1.31,d,6.2
H,32,4.49,q,6.2
H,33,,,
H,34,1.4,s,
H,35,1.4,s,
H,36,1.4,s,
H,37,,,
H,38,4.46,d,5.8
H,39,4.46,d,5.8
H,40,2.78,m,
H,41,2.15,m,
H,42,2.15,m,
H,43,2.8,ddd,"9.4,8.0,0.6"
H,44,2.8,ddd,"12.9,9.4,7.4"
H,45,3.05,ddd,"9.4,8.8,1.1"
H,46,3.05,ddd,"11.7,9.4,8.4"
H,47,2.11,m,
H,48,2.11,m,
H,49,4.89,ddd,"9.8,4.8,4.0"
H,50,7.9,ddd,"7.3,1.4,0.5"
H,51,6.89,ddd,"8.1,7.3,1.4"
H,52,7.45,ddd,"8.3,8.1,1.4"
H,53,6.98,ddd,"8.3,1.4,0.5"
H,54,,,
H,55,3.18,dd,"8.8,4.8"
