C,1,52.5,s,
O,2,,,
C,3,88.79,s,
C,4,135.56,s,
C,5,108.8,s,
C,6,146.4,s,
C,7,147.15,s,
C,8,109.89,s,
C,9,139.49,s,
C,10,124.5,s,
C,11,120.2,s,
C,12,123.9,s,
C,13,129.7,s,
C,14,103.7,s,
C,15,147.25,s,
C,16,147.3,s,
C,17,100.2,s,
C,18,126.6,s,
C,19,139.0,s,
N,20,,,
C,21,39.3,s,
O,22,,,
C,23,101.05,s,
O,24,,,
O,25,,,
C,26,101.24,s,
O,27,,,
H,28,3.43,s,
H,29,3.43,s,
H,30,3.43,s,
H,31,6.29,s,
H,32,6.94,d,0.5
H,33,7.34,t,0.5
H,34,7.98,dt,"8.0,0.5"
H,35,7.57,ddd,"8.0,1.4,0.5"
H,36,7.19,dt,"1.4,0.5"
H,37,7.64,t,0.5
H,38,3.01,s,
H,39,3.01,s,
H,40,3.01,s,
H,41,6.14,s,
H,42,6.14,s,
H,43,6.12,s,
H,44,6.12,s,
