C,1,56.0,s, O,2,,, C,3,148.26,s, C,4,109.65,s, C,5,134.12,s, C,6,84.2,s, O,7,,, C,8,73.3,s, C,9,43.8,s, C,10,33.9,s, C,11,132.5,s, C,12,122.16,s, C,13,117.35,s, C,14,150.9,s, O,15,,, C,16,100.28,s, O,17,,, C,18,70.83,s, C,19,61.68,s, O,20,,, C,21,169.93,s, C,22,20.67,s, O,23,,, C,24,68.54,s, O,25,,, C,26,169.5,s, C,27,20.72,s, O,28,,, C,29,69.7,s, O,30,,, C,31,170.1,s, C,32,20.61,s, O,33,,, C,34,70.07,s, O,35,,, C,36,170.04,s, C,37,20.7,s, O,38,,, C,39,146.3,s, O,40,,, C,41,56.5,s, C,42,113.8,s, C,43,50.6,s, C,44,63.7,s, O,45,,, C,46,171.07,s, C,47,20.88,s, O,48,,, C,49,119.23,s, C,50,124.6,s, C,51,138.23,s, O,52,,, C,53,168.88,s, C,54,20.53,s, O,55,,, H,56,3.8,s, H,57,3.8,s, H,58,3.8,s, H,59,6.9,dd,"1.9,0.5" H,60,5.44,d,10.8 H,61,3.67,dd,"6.4,4.0" H,62,3.67,dd,"6.4,0.4" H,63,2.3,m, H,64,2.91,d,6.2 H,65,2.91,d,6.2 H,66,6.54,dd,"6.1,1.9" H,67,7.0,dd,"6.1,0.5" H,68,5.12,d,5.1 H,69,4.07,dt,"10.3,5.4" H,70,4.18,d,5.4 H,71,4.18,d,5.4 H,72,2.02,s, H,73,2.02,s, H,74,2.02,s, H,75,5.2,dd,"10.3,9.9" H,76,2.03,s, H,77,2.03,s, H,78,2.03,s, H,79,5.24,dd,"11.1,9.9" H,80,2.03,s, H,81,2.03,s, H,82,2.03,s, H,83,5.37,dd,"11.1,5.1" H,84,1.99,s, H,85,1.99,s, H,86,1.99,s, H,87,3.8,s, H,88,3.8,s, H,89,3.8,s, H,90,6.18,dd,"1.9,0.5" H,91,2.87,dtd,"10.8,5.9,4.8" H,92,4.04,d,5.9 H,93,4.04,d,5.9 H,94,2.03,s, H,95,2.03,s, H,96,2.03,s, H,97,7.13,dd,"6.2,1.9" H,98,7.11,dd,"6.2,0.5" H,99,2.37,s, H,100,2.37,s, H,101,2.37,s,