C,1,21.2,s,
C,2,169.91,s,
O,3,,,
O,4,,,
C,5,75.65,s,
C,6,42.36,s,
C,7,15.05,s,
C,8,39.52,s,
C,9,16.48,s,
C,10,41.1,s,
C,11,149.11,s,
C,12,123.25,s,
C,13,23.78,s,
C,14,49.59,s,
C,15,40.67,s,
C,16,35.7,s,
C,17,29.3,s,
C,18,98.7,s,
O,19,,,
O,20,,,
C,21,69.2,s,
C,22,40.7,s,
C,23,23.0,s,
C,24,23.0,s,
C,25,49.45,s,
C,26,18.5,s,
C,27,33.06,s,
C,28,40.32,s,
C,29,17.06,s,
C,30,42.15,s,
C,31,24.21,s,
C,32,32.5,s,
C,33,28.16,s,
C,34,44.46,s,
C,35,50.87,s,
C,36,174.5,s,
O,37,,,
O,38,,,
H,39,2.01,s,
H,40,2.01,s,
H,41,2.01,s,
H,42,4.8,dd,"9.4,1.6"
H,43,2.01,qdd,"6.6,1.8,1.6"
H,44,0.99,d,6.6
H,45,0.99,d,6.6
H,46,0.99,d,6.6
H,47,2.16,dqd,"7.6,6.6,1.8"
H,48,0.96,d,6.6
H,49,0.96,d,6.6
H,50,0.96,d,6.6
H,51,3.27,dd,"7.6,5.8"
H,52,5.48,dd,"4.3,3.3"
H,53,1.93,ddd,"15.4,8.7,3.3"
H,54,1.93,ddd,"15.4,10.5,4.3"
H,55,1.63,dd,"10.5,8.7"
H,56,1.72,ddd,"12.4,11.5,2.0"
H,57,1.72,ddd,"12.4,11.6,6.5"
H,58,2.02,ddd,"12.4,11.5,6.5"
H,59,2.02,ddd,"12.4,11.6,2.0"
H,60,,,
H,61,4.13,s,
H,62,4.13,s,
H,63,1.13,s,
H,64,1.13,s,
H,65,1.13,s,
H,66,1.13,s,
H,67,1.13,s,
H,68,1.13,s,
H,69,1.33,dd,"12.2,5.2"
H,70,1.58,m,
H,71,1.58,m,
H,72,1.49,dt,"12.4,9.4"
H,73,1.49,ddd,"12.4,8.7,1.5"
H,74,1.0,s,
H,75,1.0,s,
H,76,1.0,s,
H,77,1.31,s,
H,78,1.31,s,
H,79,1.31,s,
H,80,1.72,ddd,"12.4,5.0,2.7"
H,81,1.72,ddd,"13.4,12.4,6.3"
H,82,1.7,m,
H,83,1.7,m,
H,84,1.88,m,
H,85,3.31,dd,"9.4,1.9"
H,86,,,
