C,1,18.25,s,
C,2,69.42,s,
O,3,,,
C,4,100.5,s,
O,5,,,
C,6,79.21,s,
C,7,98.3,s,
O,8,,,
C,9,163.86,s,
C,10,96.6,s,
C,11,164.2,s,
O,12,,,
C,13,103.45,s,
C,14,162.65,s,
C,15,95.7,s,
O,16,,,
C,17,78.84,s,
C,18,130.19,s,
C,19,128.57,s,
C,20,115.78,s,
C,21,157.67,s,
O,22,,,
C,23,115.78,s,
C,24,128.57,s,
C,25,43.72,s,
C,26,197.37,s,
O,27,,,
O,28,,,
C,29,74.54,s,
C,30,68.55,s,
O,31,,,
C,32,104.32,s,
O,33,,,
C,34,66.28,s,
C,35,69.5,s,
O,36,,,
C,37,74.95,s,
O,38,,,
C,39,73.13,s,
O,40,,,
C,41,69.1,s,
O,42,,,
C,43,75.5,s,
O,44,,,
C,45,71.77,s,
O,46,,,
C,47,71.76,s,
O,48,,,
C,49,73.88,s,
O,50,,,
H,51,1.27,d,6.1
H,52,1.27,d,6.1
H,53,1.27,d,6.1
H,54,4.01,qd,"6.1,4.8"
H,55,5.3,d,3.7
H,56,3.45,dd,"3.3,3.0"
H,57,4.95,d,3.3
H,58,6.13,d,1.9
H,59,,,
H,60,6.11,d,1.9
H,61,5.51,dd,"4.4,2.3"
H,62,7.13,ddd,"6.1,1.9,0.5"
H,63,6.81,ddd,"6.1,1.9,0.5"
H,64,,,
H,65,6.81,ddd,"8.7,1.9,0.5"
H,66,7.13,ddd,"8.7,1.9,0.5"
H,67,3.02,dd,"15.4,4.4"
H,68,3.02,dd,"15.4,2.3"
H,69,3.9,dt,"10.1,5.3"
H,70,4.21,d,5.3
H,71,4.21,d,5.3
H,72,4.39,d,7.9
H,73,4.15,dd,"9.4,8.4"
H,74,4.15,dd,"10.2,9.4"
H,75,4.09,ddd,"10.2,8.4,6.9"
H,76,,,
H,77,4.04,dd,"10.0,6.9"
H,78,,,
H,79,4.32,dd,"10.0,7.9"
H,80,,,
H,81,4.39,dd,"10.1,1.7"
H,82,,,
H,83,4.01,dd,"3.0,1.7"
H,84,,,
H,85,4.22,dd,"9.9,3.7"
H,86,,,
H,87,4.05,dd,"9.9,4.9"
H,88,,,
H,89,3.91,dd,"4.9,4.8"
H,90,,,
