C,1,22.13,s,
C,2,138.93,s,
C,3,22.13,s,
C,4,119.57,s,
C,5,65.38,s,
O,6,,,
C,7,161.0,s,
C,8,115.01,s,
C,9,129.8,s,
C,10,131.7,s,
C,11,35.2,s,
C,12,41.09,s,
N,13,,,
C,14,167.4,s,
O,15,,,
C,16,116.7,s,
C,17,135.2,s,
S,18,,,
C,19,43.5,s,
O,20,,,
O,21,,,
C,22,129.8,s,
C,23,115.01,s,
H,24,1.77,s,
H,25,1.77,s,
H,26,1.77,s,
H,27,1.77,s,
H,28,1.77,s,
H,29,1.77,s,
H,30,5.6,t,7.0
H,31,4.57,d,7.0
H,32,4.57,d,7.0
H,33,6.85,ddd,"7.4,1.9,0.5"
H,34,7.05,ddd,"7.4,1.9,0.5"
H,35,2.78,t,6.7
H,36,2.78,t,6.7
H,37,3.47,dt,"7.0,6.7"
H,38,3.47,dt,"7.0,6.7"
H,39,5.78,t,7.0
H,40,6.44,d,16.0
H,41,7.14,d,16.0
H,42,2.97,s,
H,43,2.97,s,
H,44,2.97,s,
H,45,7.05,ddd,"7.9,1.9,0.5"
H,46,6.85,ddd,"7.9,1.9,0.5"
