C,1,23.7,s,
C,2,140.8,s,
C,3,119.2,s,
C,4,68.1,s,
O,5,,,
C,6,79.5,s,
C,7,35.4,s,
C,8,73.8,s,
O,9,,,
C,10,167.16,s,
O,11,,,
C,12,119.54,s,
C,13,138.9,s,
C,14,130.27,s,
C,15,123.3,s,
C,16,75.46,s,
O,17,,,
C,18,67.25,s,
C,19,31.48,s,
C,20,143.41,s,
C,21,116.67,s,
C,22,173.56,s,
O,23,,,
O,24,,,
C,25,73.07,s,
C,26,70.33,s,
C,27,17.96,s,
O,28,,,
C,29,50.0,s,
C,30,8.1,s,
C,31,65.7,s,
C,32,48.0,s,
O,33,,,
C,34,43.3,s,
C,35,64.8,s,
O,36,,,
C,37,165.95,s,
O,38,,,
C,39,116.8,s,
C,40,157.8,s,
C,41,25.6,s,
C,42,36.8,s,
C,43,61.0,s,
O,44,,,
C,45,20.9,s,
C,46,28.0,s,
H,47,1.74,s,
H,48,1.74,s,
H,49,1.74,s,
H,50,5.43,d,5.7
H,51,3.59,d,5.7
H,52,3.83,dd,"2.9,2.1"
H,53,2.45,ddd,"12.4,9.5,2.1"
H,54,2.45,ddd,"12.4,9.8,2.9"
H,55,5.78,dd,"9.8,9.5"
H,56,5.99,d,13.0
H,57,7.24,dd,"13.0,11.0"
H,58,6.99,dd,"16.0,11.0"
H,59,5.84,dd,"16.0,7.0"
H,60,4.98,dd,"7.0,4.9"
H,61,3.95,t,6.5
H,62,3.95,t,6.5
H,63,2.8,t,6.5
H,64,2.8,t,6.5
H,65,5.86,s,
H,66,4.77,s,
H,67,4.77,s,
H,68,3.64,qd,"6.1,4.9"
H,69,1.25,d,6.1
H,70,1.25,d,6.1
H,71,1.25,d,6.1
H,72,,,
H,73,0.8,s,
H,74,0.8,s,
H,75,0.8,s,
H,76,3.13,s,
H,77,3.13,s,
H,78,4.24,s,
H,79,4.24,s,
H,80,5.66,s,
H,81,1.75,s,
H,82,1.75,s,
H,83,1.75,s,
H,84,2.8,t,6.5
H,85,2.8,t,6.5
H,86,3.69,t,6.5
H,87,3.69,t,6.5
H,88,,,
H,89,1.96,ddd,"12.4,6.7,1.7"
H,90,1.96,ddd,"12.4,10.1,9.2"
H,91,2.12,ddd,"15.4,9.2,1.7"
H,92,2.12,ddd,"15.4,10.1,6.7"
