C,1,16.9,s,
C,2,39.2,s,
C,3,53.1,s,
C,4,139.0,s,
C,5,125.8,s,
C,6,23.4,s,
C,7,47.45,s,
C,8,38.35,s,
C,9,17.05,s,
C,10,46.6,s,
C,11,68.7,s,
O,12,,,
C,13,85.6,s,
O,14,,,
C,15,43.25,s,
C,16,23.65,s,
C,17,65.75,s,
O,18,,,
C,19,51.09,s,
C,20,18.82,s,
C,21,33.41,s,
C,22,39.9,s,
C,23,16.6,s,
C,24,42.6,s,
C,25,22.69,s,
C,26,28.2,s,
C,27,23.9,s,
C,28,48.4,s,
C,29,180.3,s,
O,30,,,
O,31,,,
C,32,36.8,s,
C,33,30.7,s,
C,34,38.9,s,
C,35,20.95,s,
H,36,0.8,d,6.6
H,37,0.8,d,6.6
H,38,0.8,d,6.6
H,39,1.39,qdd,"6.6,3.5,1.2"
H,40,2.79,d,1.2
H,41,5.48,dd,"5.5,2.7"
H,42,2.03,ddd,"15.4,5.8,5.5"
H,43,2.03,ddd,"15.4,11.7,2.7"
H,44,1.63,dd,"11.7,5.8"
H,45,1.5,s,
H,46,1.5,s,
H,47,1.5,s,
H,48,2.21,dd,"12.4,9.9"
H,49,2.21,dd,"12.4,4.0"
H,50,3.59,ddd,"9.9,5.3,4.0"
H,51,,,
H,52,4.13,d,5.3
H,53,,,
H,54,1.24,s,
H,55,1.24,s,
H,56,1.24,s,
H,57,4.03,s,
H,58,4.03,s,
H,59,,,
H,60,1.76,dd,"12.9,4.6"
H,61,1.52,m,
H,62,1.52,m,
H,63,1.47,ddd,"12.4,6.5,1.9"
H,64,1.47,ddd,"12.4,11.1,7.2"
H,65,1.08,s,
H,66,1.08,s,
H,67,1.08,s,
H,68,1.31,s,
H,69,1.31,s,
H,70,1.31,s,
H,71,1.65,ddd,"12.4,6.8,2.2"
H,72,1.65,ddd,"12.4,10.7,8.4"
H,73,2.31,ddd,"12.4,8.4,2.2"
H,74,2.31,ddd,"12.4,10.7,6.8"
H,75,,,
H,76,1.72,ddd,"12.4,9.1,1.2"
H,77,1.72,ddd,"12.4,10.0,9.0"
H,78,1.61,m,
H,79,1.61,m,
H,80,0.95,m,
H,81,0.95,d,6.5
H,82,0.95,d,6.5
H,83,0.95,d,6.5
