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,11,68.6,s,
O,12,,,
C,13,77.86,s,
O,14,,,
C,15,41.86,s,
C,16,67.18,s,
O,17,,,
C,18,67.18,s,
O,19,,,
C,20,51.21,s,
C,21,18.32,s,
C,22,33.06,s,
C,23,39.9,s,
C,24,16.6,s,
C,25,42.6,s,
C,26,22.69,s,
C,27,28.2,s,
C,28,23.9,s,
C,29,48.4,s,
C,30,180.3,s,
O,31,,,
O,32,,,
C,33,36.8,s,
C,34,30.7,s,
C,35,38.9,s,
C,36,20.95,s,
H,37,0.8,d,6.6
H,38,0.8,d,6.6
H,39,0.8,d,6.6
H,40,1.39,qdd,"6.6,3.7,0.7"
H,41,2.79,d,3.7
H,42,5.48,dd,"4.0,3.8"
H,43,2.03,ddd,"15.4,10.6,3.8"
H,44,2.03,ddd,"15.4,8.2,4.0"
H,45,1.63,dd,"10.6,8.2"
H,46,0.93,s,
H,47,0.93,s,
H,48,0.93,s,
H,49,2.08,dd,"12.4,11.2"
H,50,2.08,dd,"12.4,3.1"
H,51,4.46,ddd,"11.2,5.6,3.1"
H,52,,,
H,53,4.11,d,5.6
H,54,,,
H,55,4.75,s,
H,56,4.75,s,
H,57,,,
H,58,4.75,s,
H,59,4.75,s,
H,60,,,
H,61,1.34,dd,"12.5,3.6"
H,62,1.31,m,
H,63,1.31,m,
H,64,1.43,ddd,"12.4,3.3,3.2"
H,65,1.43,ddd,"13.9,12.4,5.0"
H,66,1.08,s,
H,67,1.08,s,
H,68,1.08,s,
H,69,1.31,s,
H,70,1.31,s,
H,71,1.31,s,
H,72,1.65,dd,"12.4,7.8"
H,73,1.65,ddd,"12.9,12.4,2.2"
H,74,2.31,ddd,"12.4,7.8,2.2"
H,75,2.31,dd,"12.9,12.4"
H,76,,,
H,77,1.72,ddd,"12.4,4.2,3.4"
H,78,1.72,ddd,"13.1,12.4,4.8"
H,79,1.61,m,
H,80,1.61,m,
H,81,0.95,m,
H,82,0.95,d,6.5
H,83,0.95,d,6.5
H,84,0.95,d,6.5
