C,1,51.85,s,
O,2,,,
C,3,171.23,s,
O,4,,,
C,5,35.4,s,
C,6,70.4,s,
O,7,,,
C,8,169.7,s,
C,9,22.7,s,
O,10,,,
C,11,44.0,s,
C,12,14.7,s,
C,13,52.87,s,
C,14,75.03,s,
C,15,30.22,s,
C,16,30.22,s,
O,17,,,
C,18,38.7,s,
C,19,,,
O,20,,,
C,21,52.48,s,
C,22,17.45,s,
C,23,48.0,s,
C,24,20.71,s,
C,25,29.99,s,
C,26,38.65,s,
C,27,17.64,s,
C,28,80.12,s,
O,29,,,
C,30,101.61,s,
O,31,,,
C,32,77.66,s,
C,33,62.49,s,
O,34,,,
C,35,72.81,s,
O,36,,,
C,37,76.43,s,
O,38,,,
C,39,73.99,s,
O,40,,,
C,41,120.49,s,
C,42,109.66,s,
C,43,142.98,s,
O,44,,,
C,45,141.04,s,
C,46,77.48,s,
O,47,,,
C,48,56.8,s,
C,49,174.81,s,
O,50,,,
O,51,,,
H,52,3.7,s,
H,53,3.7,s,
H,54,3.7,s,
H,55,3.16,d,6.0
H,56,3.16,d,6.0
H,57,4.83,t,6.0
H,58,2.01,s,
H,59,2.01,s,
H,60,2.01,s,
H,61,0.91,s,
H,62,0.91,s,
H,63,0.91,s,
H,64,2.29,dd,"11.3,2.5"
H,65,1.46,s,
H,66,1.46,s,
H,67,1.46,s,
H,68,1.46,s,
H,69,1.46,s,
H,70,1.46,s,
H,71,,,
H,72,2.74,dd,"15.4,2.5"
H,73,2.74,dd,"15.4,11.3"
H,74,1.4,s,
H,75,1.4,s,
H,76,1.4,s,
H,77,2.11,dd,"12.3,5.4"
H,78,1.74,m,
H,79,1.74,m,
H,80,1.72,ddd,"12.4,11.8,1.4"
H,81,1.72,ddd,"12.4,11.9,3.9"
H,82,1.13,s,
H,83,1.13,s,
H,84,1.13,s,
H,85,6.02,s,
H,86,4.66,d,4.7
H,87,3.63,dt,"6.0,5.4"
H,88,4.04,d,5.4
H,89,4.04,d,5.4
H,90,,,
H,91,3.66,dd,"6.0,1.8"
H,92,,,
H,93,3.84,dd,"1.8,0.9"
H,94,,,
H,95,3.79,dd,"4.7,0.9"
H,96,,,
H,97,6.44,dd,"2.7,1.9"
H,98,7.43,d,2.7
H,99,7.54,d,1.9
H,100,3.88,s,
H,101,,,
