C,1,55.7,s,
O,2,,,
C,3,150.1,s,
C,4,110.8,s,
C,5,123.7,s,
C,6,128.5,s,
C,7,127.6,s,
C,8,144.9,s,
O,9,,,
C,10,60.0,s,
C,11,53.8,s,
N,12,,,
C,13,51.3,s,
C,14,28.72,s,
C,15,126.18,s,
C,16,108.2,s,
C,17,145.8,s,
C,18,145.4,s,
C,19,110.33,s,
C,20,129.5,s,
C,21,59.05,s,
C,22,36.1,s,
O,23,,,
C,24,100.8,s,
O,25,,,
H,26,3.87,s,
H,27,3.87,s,
H,28,3.87,s,
H,29,6.62,d,7.4
H,30,6.87,d,7.4
H,31,3.84,s,
H,32,3.84,s,
H,33,3.84,s,
H,34,4.25,s,
H,35,4.25,s,
H,36,3.05,ddd,"12.4,9.2,7.9"
H,37,3.05,ddd,"12.4,10.5,1.0"
H,38,3.09,ddd,"15.4,9.2,1.0"
H,39,3.09,ddd,"15.4,10.5,7.9"
H,40,6.57,d,0.5
H,41,6.72,d,0.5
H,42,2.2,dd,"11.5,2.3"
H,43,2.9,dd,"15.4,11.5"
H,44,2.9,dd,"15.4,2.3"
H,45,5.88,s,
H,46,5.88,s,
