C,1,126.2,s,
C,2,142.7,s,
C,3,171.3,s,
O,4,,,
O,5,,,
C,6,34.4,s,
C,7,31.35,s,
C,8,129.09,s,
C,9,134.5,s,
C,10,11.75,s,
C,11,78.4,s,
O,12,,,
C,13,169.96,s,
C,14,21.06,s,
O,15,,,
C,16,31.4,s,
C,17,123.6,s,
C,18,135.6,s,
C,19,16.7,s,
C,20,38.81,s,
C,21,29.4,s,
H,22,5.94,s,
H,23,5.94,s,
H,24,,,
H,25,2.83,m,
H,26,2.25,ddd,"15.4,9.4,3.2"
H,27,2.25,ddd,"15.4,11.5,1.5"
H,28,5.54,dd,"11.5,3.2"
H,29,1.17,s,
H,30,1.17,s,
H,31,1.17,s,
H,32,5.45,dd,"7.4,2.2"
H,33,1.95,s,
H,34,1.95,s,
H,35,1.95,s,
H,36,2.54,ddd,"15.4,5.3,2.2"
H,37,2.54,ddd,"15.4,9.0,7.4"
H,38,4.9,dd,"9.0,5.3"
H,39,1.1,s,
H,40,1.1,s,
H,41,1.1,s,
H,42,2.11,ddd,"15.4,9.6,0.3"
H,43,2.11,ddd,"15.4,11.0,2.0"
H,44,1.58,m,
H,45,1.58,m,
