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,12,76.6,s,
C,13,34.8,s,
C,14,53.65,s,
N,15,,,
C,16,62.9,s,
C,17,128.4,s,
C,18,131.7,s,
C,19,62.66,s,
O,20,,,
C,21,179.2,s,
O,22,,,
C,23,74.35,s,
C,24,25.14,s,
O,25,,,
C,26,75.5,s,
H,27,1.03,d,6.7
H,28,1.03,d,6.7
H,29,1.03,d,6.7
H,30,2.83,dq,"10.9,6.7"
H,31,2.83,dq,"10.9,6.7"
H,32,1.03,d,6.7
H,33,1.03,d,6.7
H,34,1.03,d,6.7
H,35,,,
H,36,3.92,s,
H,37,3.92,s,
H,38,,,
H,39,5.43,ddd,"12.1,10.3,5.5"
H,40,2.03,m,
H,41,2.03,m,
H,42,3.16,ddd,"9.4,7.9,1.2"
H,43,3.16,ddd,"11.6,9.4,8.9"
H,44,3.72,dd,"9.4,2.9"
H,45,3.72,dd,"9.4,4.4"
H,46,5.99,dd,"4.4,2.9"
H,47,4.63,s,
H,48,4.63,s,
H,49,1.47,s,
H,50,1.47,s,
H,51,1.47,s,
H,52,,,
H,53,4.38,d,10.3
