C,1,56.02,s,
O,2,,,
C,3,150.42,s,
C,4,111.07,s,
C,5,127.97,s,
C,6,139.49,s,
C,7,116.2,s,
C,8,145.43,s,
O,9,,,
C,10,60.98,s,
C,11,88.79,s,
O,12,,,
C,13,52.5,s,
N,14,,,
C,15,39.3,s,
C,16,139.0,s,
C,17,124.5,s,
C,18,120.2,s,
C,19,123.9,s,
C,20,129.7,s,
C,21,103.7,s,
C,22,147.25,s,
C,23,147.3,s,
C,24,100.2,s,
C,25,126.6,s,
O,26,,,
C,27,101.05,s,
O,28,,,
H,29,3.87,s,
H,30,3.87,s,
H,31,3.87,s,
H,32,6.84,d,6.8
H,33,7.43,dd,"6.8,0.5"
H,34,3.84,s,
H,35,3.84,s,
H,36,3.84,s,
H,37,6.29,s,
H,38,3.43,s,
H,39,3.43,s,
H,40,3.43,s,
H,41,3.01,s,
H,42,3.01,s,
H,43,3.01,s,
H,44,7.98,dt,"8.1,0.5"
H,45,7.57,ddd,"8.1,1.4,0.5"
H,46,7.19,dt,"1.4,0.5"
H,47,7.64,t,0.5
H,48,6.14,s,
H,49,6.14,s,
