C,1,21.6,s, C,2,126.2,s, C,3,137.4,s, C,4,125.8,s, C,5,138.4,s, C,6,137.16,s, C,7,12.4,s, C,8,130.98,s, C,9,126.01,s, C,10,138.44,s, C,11,137.13,s, C,12,12.82,s, C,13,134.44,s, C,14,130.98,s, C,15,130.98,s, C,16,134.44,s, C,17,137.13,s, C,18,12.82,s, C,19,139.93,s, C,20,128.43,s, C,21,124.49,s, C,22,137.59,s, C,23,17.63,s, C,24,36.73,s, C,25,26.48,s, C,26,138.2,s, C,27,128.4,s, C,28,20.1,s, C,29,33.7,s, C,30,19.9,s, C,31,41.0,s, C,32,36.0,s, C,33,29.1,s, C,34,29.1,s, C,35,37.1,s, C,36,29.5,s, C,37,29.5,s, C,38,48.4,s, C,39,65.1,s, O,40,,, C,41,42.6,s, H,42,1.74,s, H,43,1.74,s, H,44,1.74,s, H,45,6.14,d,17.0 H,46,6.16,d,17.0 H,47,1.97,s, H,48,1.97,s, H,49,1.97,s, H,50,6.18,d,11.0 H,51,6.66,dd,"17.0,11.0" H,52,6.41,d,17.0 H,53,2.0,s, H,54,2.0,s, H,55,2.0,s, H,56,6.31,d,11.0 H,57,6.68,dd,"17.0,11.0" H,58,6.68,dd,"17.0,11.0" H,59,6.31,d,11.0 H,60,2.0,s, H,61,2.0,s, H,62,2.0,s, H,63,6.43,d,17.0 H,64,6.42,dd,"17.0,11.0" H,65,5.82,d,11.0 H,66,1.71,s, H,67,1.71,s, H,68,1.71,s, H,69,2.17,t,7.0 H,70,2.17,t,7.0 H,71,1.65,t,7.0 H,72,1.65,t,7.0 H,73,1.55,s, H,74,1.55,s, H,75,1.55,s, H,76,2.04,ddd,"15.4,11.7,3.1" H,77,2.04,ddd,"15.4,12.1,4.0" H,78,1.63,m, H,79,1.63,m, H,80,1.57,ddd,"12.4,10.3,7.9" H,81,1.57,ddd,"12.4,8.7,1.5" H,82,1.3,s, H,83,1.3,s, H,84,1.3,s, H,85,1.3,s, H,86,1.3,s, H,87,1.3,s, H,88,1.08,s, H,89,1.08,s, H,90,1.08,s, H,91,1.08,s, H,92,1.08,s, H,93,1.08,s, H,94,1.77,dd,"12.4,9.3" H,95,1.77,dd,"12.4,6.2" H,96,3.99,m, H,97,,, H,98,2.38,dd,"15.4,8.0" H,99,2.38,dd,"15.4,7.5"