C,1,13.34,s,
C,2,40.64,s,
C,3,172.96,s,
O,4,,,
O,5,,,
C,6,77.48,s,
C,7,25.81,s,
C,8,57.37,s,
C,9,172.96,s,
O,10,,,
O,11,,,
C,12,74.77,s,
C,13,34.43,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,21,172.75,s,
O,22,,,
C,23,77.48,s,
C,24,25.81,s,
O,25,,,
C,26,75.5,s,
H,27,1.25,d,6.7
H,28,1.25,d,6.7
H,29,1.25,d,6.7
H,30,2.63,dq,"8.5,6.7"
H,31,1.52,s,
H,32,1.52,s,
H,33,1.52,s,
H,34,3.18,d,8.5
H,35,5.43,ddd,"8.7,8.1,1.8"
H,36,2.03,m,
H,37,2.03,m,
H,38,3.16,ddd,"9.4,6.9,0.5"
H,39,3.16,ddd,"12.2,9.4,6.2"
H,40,3.72,dd,"9.4,4.2"
H,41,3.72,dd,"9.4,2.9"
H,42,5.99,dd,"4.2,2.9"
H,43,4.63,s,
H,44,4.63,s,
H,45,1.47,s,
H,46,1.47,s,
H,47,1.47,s,
H,48,,,
H,49,4.38,d,8.7
