C,1,55.95,s,
O,2,,,
C,3,148.2,s,
C,4,111.3,s,
C,5,123.4,s,
C,6,129.5,s,
C,7,110.7,s,
C,8,147.2,s,
O,9,,,
C,10,55.78,s,
C,11,66.7,s,
C,12,84.9,s,
O,13,,,
C,14,167.2,s,
O,15,,,
C,16,110.3,s,
C,17,140.8,s,
C,18,115.5,s,
C,19,113.1,s,
C,20,149.1,s,
C,21,144.5,s,
O,22,,,
C,23,103.3,s,
O,24,,,
N,25,,,
C,26,45.0,s,
C,27,50.4,s,
C,28,26.5,s,
H,29,3.8,s,
H,30,3.8,s,
H,31,3.8,s,
H,32,6.55,d,0.5
H,33,6.64,d,0.5
H,34,3.8,s,
H,35,3.8,s,
H,36,3.8,s,
H,37,4.28,d,5.3
H,38,5.11,d,5.3
H,39,7.22,d,6.9
H,40,6.55,d,6.9
H,41,5.88,s,
H,42,5.88,s,
H,43,2.35,s,
H,44,2.35,s,
H,45,2.35,s,
H,46,2.78,ddd,"14.0,12.4,3.9"
H,47,2.78,ddd,"12.4,3.7,1.8"
H,48,2.85,ddd,"15.4,14.0,3.7"
H,49,2.85,ddd,"15.4,3.9,1.8"
