C,1,18.87,s,
C,2,40.4,s,
C,3,40.4,s,
C,4,18.87,s,
C,5,76.6,s,
O,6,,,
C,7,65.05,s,
O,8,,,
C,9,172.75,s,
O,10,,,
O,11,,,
C,12,73.63,s,
C,13,34.8,s,
C,14,70.7,s,
N,15,,,
O,16,,,
C,17,80.5,s,
C,18,122.4,s,
C,19,138.1,s,
C,20,67.61,s,
O,21,,,
C,22,179.2,s,
O,23,,,
C,24,74.35,s,
C,25,25.14,s,
O,26,,,
C,27,97.5,s,
H,28,1.03,d,6.7
H,29,1.03,d,6.7
H,30,1.03,d,6.7
H,31,2.83,qd,"6.7,5.3"
H,32,2.83,qd,"6.7,5.3"
H,33,1.03,d,6.7
H,34,1.03,d,6.7
H,35,1.03,d,6.7
H,36,,,
H,37,3.92,s,
H,38,3.92,s,
H,39,,,
H,40,5.12,ddd,"11.8,4.2,3.6"
H,41,2.05,tdd,"12.4,11.8,8.8"
H,42,2.05,m,
H,43,3.65,ddd,"9.4,8.8,1.2"
H,44,3.65,ddd,"12.4,9.4,8.8"
H,45,4.28,dd,"9.4,2.9"
H,46,4.28,dd,"9.4,4.7"
H,47,6.44,dd,"4.7,2.9"
H,48,4.78,s,
H,49,4.78,s,
H,50,1.47,s,
H,51,1.47,s,
H,52,1.47,s,
H,53,,,
H,54,4.86,d,3.6
