C,1,29.36,s, C,2,30.23,s, C,3,29.36,s, C,4,34.27,s, C,5,35.28,s, C,6,48.09,s, C,7,18.43,s, C,8,,, O,9,,, C,10,49.84,s, C,11,44.35,s, C,12,24.38,s, C,13,136.4,s, C,14,135.0,s, C,15,21.1,s, C,16,31.35,s, C,17,43.99,s, C,18,17.82,s, C,19,48.76,s, C,20,42.11,s, C,21,37.1,s, C,22,19.0,s, C,23,38.2,s, C,24,26.8,s, C,25,76.3,s, O,26,,, C,27,41.5,s, C,28,25.3,s, C,29,25.3,s, C,30,52.7,s, C,31,20.5,s, C,32,26.5,s, H,33,0.94,s, H,34,0.94,s, H,35,0.94,s, H,36,0.94,s, H,37,0.94,s, H,38,0.94,s, H,39,1.63,ddd,"12.4,3.2,2.9" H,40,1.63,ddd,"13.5,12.4,3.3" H,41,1.72,ddd,"13.5,12.4,3.2" H,42,1.72,ddd,"12.4,3.3,2.9" H,43,1.37,s, H,44,1.37,s, H,45,1.37,s, H,46,2.57,s, H,47,2.57,s, H,48,1.26,s, H,49,1.26,s, H,50,1.26,s, H,51,2.1,dd,"15.4,12.8" H,52,2.1,ddd,"15.4,7.5,2.0" H,53,1.96,ddd,"12.8,12.4,2.0" H,54,1.96,dd,"12.4,7.5" H,55,1.02,s, H,56,1.02,s, H,57,1.02,s, H,58,2.11,dd,"13.0,5.7" H,59,2.04,dd,"13.0,12.4" H,60,2.04,dd,"12.4,5.7" H,61,1.1,s, H,62,1.1,s, H,63,1.1,s, H,64,1.73,ddd,"12.4,11.0,8.5" H,65,1.73,ddd,"12.4,10.9,1.1" H,66,1.67,m, H,67,1.67,m, H,68,3.34,dd,"7.9,7.8" H,69,,, H,70,0.98,s, H,71,0.98,s, H,72,0.98,s, H,73,0.98,s, H,74,0.98,s, H,75,0.98,s, H,76,0.92,dd,"10.6,6.8" H,77,1.92,m, H,78,1.92,m, H,79,2.37,ddd,"15.4,11.4,7.5" H,80,2.37,ddd,"15.4,8.2,2.3"