C,1,22.83,s, C,2,131.82,s, C,3,122.48,s, C,4,23.02,s, C,5,31.02,s, C,6,32.75,s, C,7,27.32,s, C,8,27.32,s, C,9,54.41,s, C,10,135.6,s, C,11,127.27,s, C,12,137.1,s, C,13,12.88,s, C,14,132.57,s, C,15,125.36,s, C,16,138.44,s, C,17,137.13,s, C,18,12.82,s, C,19,134.44,s, C,20,130.98,s, C,21,130.98,s, C,22,134.44,s, C,23,137.13,s, C,24,12.82,s, C,25,138.44,s, C,26,126.01,s, C,27,130.98,s, C,28,137.16,s, C,29,12.4,s, C,30,138.4,s, C,31,125.8,s, C,32,137.4,s, C,33,126.2,s, C,34,21.6,s, C,35,42.6,s, C,36,65.1,s, O,37,,, C,38,48.4,s, C,39,37.1,s, C,40,29.5,s, C,41,29.5,s, H,42,1.9,s, H,43,1.9,s, H,44,1.9,s, H,45,5.53,dd,"5.7,2.6" H,46,2.18,m, H,47,2.18,m, H,48,1.72,ddd,"12.4,7.0,2.0" H,49,1.72,ddd,"12.8,12.4,4.7" H,50,1.0,s, H,51,1.0,s, H,52,1.0,s, H,53,1.0,s, H,54,1.0,s, H,55,1.0,s, H,56,4.03,d,7.0 H,57,6.16,d,7.0 H,58,7.52,s, H,59,1.99,s, H,60,1.99,s, H,61,1.99,s, H,62,6.27,d,11.0 H,63,6.66,d,11.0 H,64,6.41,s, H,65,2.0,s, H,66,2.0,s, H,67,2.0,s, H,68,6.31,d,11.0 H,69,6.68,dd,"17.0,11.0" H,70,6.68,dd,"17.0,11.0" H,71,6.31,d,11.0 H,72,2.0,s, H,73,2.0,s, H,74,2.0,s, H,75,6.41,s, H,76,6.66,d,11.0 H,77,6.18,d,11.0 H,78,1.97,s, H,79,1.97,s, H,80,1.97,s, H,81,6.16,d,17.0 H,82,6.14,d,17.0 H,83,1.74,s, H,84,1.74,s, H,85,1.74,s, H,86,2.38,dd,"15.4,6.9" H,87,2.38,dd,"15.4,1.5" H,88,3.99,m, H,89,,, H,90,1.77,dd,"12.4,3.9" H,91,1.77,dd,"12.4,3.0" H,92,1.08,s, H,93,1.08,s, H,94,1.08,s, H,95,1.08,s, H,96,1.08,s, H,97,1.08,s,