C,1,16.94,s,
C,2,71.22,s,
O,3,,,
C,4,77.48,s,
O,5,,,
C,6,68.7,s,
N,7,,,
C,8,141.69,s,
C,9,130.97,s,
C,10,111.52,s,
C,11,161.9,s,
O,12,,,
C,13,116.46,s,
C,14,114.7,s,
C,15,185.28,s,
O,16,,,
C,17,113.11,s,
C,18,161.75,s,
O,19,,,
C,20,124.25,s,
C,21,137.1,s,
C,22,118.9,s,
C,23,132.7,s,
C,24,185.92,s,
O,25,,,
C,26,77.48,s,
O,27,,,
C,28,73.25,s,
O,29,,,
C,30,142.71,s,
C,31,123.97,s,
C,32,129.37,s,
C,33,126.21,s,
C,34,122.07,s,
C,35,131.87,s,
H,36,1.31,d,6.2
H,37,1.31,d,6.2
H,38,1.31,d,6.2
H,39,4.49,q,6.2
H,40,,,
H,41,,,
H,42,4.28,s,
H,43,,,
H,44,8.04,s,
H,45,,,
H,46,,,
H,47,7.32,dd,"7.0,1.4"
H,48,7.69,dd,"7.6,7.0"
H,49,7.76,dd,"7.6,1.4"
H,50,,,
H,51,5.63,s,
H,52,,,
H,53,7.4,ddd,"8.4,1.4,0.5"
H,54,7.32,ddd,"8.4,8.2,1.4"
H,55,7.28,ddd,"8.2,7.8,1.4"
H,56,7.21,ddd,"7.8,1.4,0.5"
