C,1,55.32,s,
O,2,,,
C,3,161.25,s,
C,4,114.6,s,
C,5,130.3,s,
C,6,131.5,s,
C,7,78.31,s,
O,8,,,
C,9,145.43,s,
C,10,122.96,s,
C,11,128.43,s,
C,12,107.3,s,
C,13,155.87,s,
O,14,,,
C,15,56.98,s,
C,16,139.54,s,
O,17,,,
C,18,60.99,s,
C,19,78.15,s,
O,20,,,
C,21,78.15,s,
C,22,122.96,s,
C,23,128.43,s,
C,24,107.3,s,
C,25,155.87,s,
O,26,,,
C,27,56.98,s,
C,28,139.54,s,
O,29,,,
C,30,60.99,s,
C,31,145.43,s,
O,32,,,
C,33,78.15,s,
C,34,130.99,s,
C,35,123.93,s,
C,36,111.3,s,
C,37,149.6,s,
O,38,,,
C,39,55.87,s,
C,40,149.8,s,
O,41,,,
C,42,55.83,s,
C,43,110.3,s,
C,44,75.52,s,
O,45,,,
C,46,171.09,s,
C,47,20.86,s,
O,48,,,
C,49,75.52,s,
O,50,,,
C,51,171.09,s,
C,52,20.86,s,
O,53,,,
C,54,130.3,s,
C,55,114.6,s,
H,56,3.76,s,
H,57,3.76,s,
H,58,3.76,s,
H,59,6.82,ddd,"9.3,1.9,0.5"
H,60,7.32,ddd,"9.3,1.9,0.5"
H,61,5.76,d,5.2
H,62,7.35,d,8.8
H,63,6.84,d,8.8
H,64,3.86,s,
H,65,3.86,s,
H,66,3.86,s,
H,67,3.81,s,
H,68,3.81,s,
H,69,3.81,s,
H,70,5.76,d,10.2
H,71,5.76,d,2.2
H,72,7.35,d,6.3
H,73,6.84,d,6.3
H,74,3.86,s,
H,75,3.86,s,
H,76,3.86,s,
H,77,3.81,s,
H,78,3.81,s,
H,79,3.81,s,
H,80,5.76,d,1.7
H,81,7.01,dd,"8.2,1.9"
H,82,6.83,dd,"8.2,0.5"
H,83,3.85,s,
H,84,3.85,s,
H,85,3.85,s,
H,86,3.8,s,
H,87,3.8,s,
H,88,3.8,s,
H,89,6.98,dd,"1.9,0.5"
H,90,4.7,dd,"2.2,1.7"
H,91,2.1,s,
H,92,2.1,s,
H,93,2.1,s,
H,94,4.7,dd,"10.2,5.2"
H,95,2.1,s,
H,96,2.1,s,
H,97,2.1,s,
H,98,7.32,ddd,"8.2,1.9,0.5"
H,99,6.82,ddd,"8.2,1.9,0.5"
