C,1,55.95,s,
O,2,,,
C,3,147.53,s,
C,4,111.48,s,
C,5,127.39,s,
C,6,131.87,s,
C,7,110.33,s,
C,8,147.4,s,
O,9,,,
C,10,55.78,s,
C,11,57.53,s,
C,12,136.46,s,
C,13,124.37,s,
C,14,111.07,s,
C,15,148.0,s,
C,16,147.4,s,
C,17,109.35,s,
O,18,,,
C,19,101.1,s,
O,20,,,
N,21,,,
C,22,42.3,s,
C,23,49.76,s,
C,24,25.63,s,
H,25,3.8,s,
H,26,3.8,s,
H,27,3.8,s,
H,28,6.55,d,0.5
H,29,6.64,d,0.5
H,30,3.8,s,
H,31,3.8,s,
H,32,3.8,s,
H,33,4.28,s,
H,34,7.05,dd,"8.7,1.9"
H,35,6.84,dd,"8.7,0.5"
H,36,6.84,dd,"1.9,0.5"
H,37,5.98,s,
H,38,5.98,s,
H,39,2.35,s,
H,40,2.35,s,
H,41,2.35,s,
H,42,3.34,ddd,"12.4,3.4,1.8"
H,43,3.34,ddd,"13.0,12.4,3.0"
H,44,2.85,ddd,"15.4,13.0,1.8"
H,45,2.85,ddd,"15.4,3.4,3.0"
