C,1,56.99,s, O,2,,, C,3,144.8,s, C,4,113.6,s, C,5,123.9,s, C,6,36.5,s, C,7,64.8,s, C,8,131.87,s, C,9,110.33,s, C,10,151.83,s, O,11,,, C,12,56.31,s, C,13,137.25,s, C,14,145.43,s, C,15,125.03,s, C,16,23.0,s, C,17,50.18,s, N,18,,, C,19,42.33,s, O,20,,, C,21,98.83,s, O,22,,, C,23,148.4,s, O,24,,, C,25,147.0,s, C,26,110.47,s, C,27,129.35,s, C,28,124.35,s, C,29,111.2,s, C,30,148.26,s, O,31,,, C,32,56.0,s, C,33,124.28,s, C,34,145.31,s, O,35,,, C,36,60.33,s, C,37,137.25,s, O,38,,, C,39,60.93,s, C,40,149.4,s, O,41,,, C,42,60.7,s, C,43,125.03,s, C,44,127.11,s, C,45,62.2,s, C,46,34.6,s, N,47,,, C,48,43.72,s, C,49,50.18,s, C,50,23.0,s, C,51,105.1,s, C,52,147.3,s, O,53,,, C,54,56.2,s, H,55,3.8,s, H,56,3.8,s, H,57,3.8,s, H,58,6.68,d,0.5 H,59,3.01,d,6.2 H,60,3.01,d,6.2 H,61,4.39,t,6.2 H,62,6.64,s, H,63,3.87,s, H,64,3.87,s, H,65,3.87,s, H,66,2.59,ddd,"15.4,11.2,2.7" H,67,2.59,ddd,"15.4,11.3,5.3" H,68,2.78,ddd,"12.4,11.2,5.3" H,69,2.78,ddd,"12.4,11.3,2.7" H,70,2.54,s, H,71,2.54,s, H,72,2.54,s, H,73,5.9,s, H,74,5.9,s, H,75,6.68,d,0.5 H,76,7.96,d,0.5 H,77,3.8,s, H,78,3.8,s, H,79,3.8,s, H,80,3.72,s, H,81,3.72,s, H,82,3.72,s, H,83,3.83,s, H,84,3.83,s, H,85,3.83,s, H,86,3.84,s, H,87,3.84,s, H,88,3.84,s, H,89,2.97,dd,"11.3,7.3" H,90,2.76,dd,"15.4,11.3" H,91,2.76,dd,"15.4,7.3" H,92,2.55,s, H,93,2.55,s, H,94,2.55,s, H,95,2.78,ddd,"12.4,5.5,2.3" H,96,2.78,ddd,"13.3,12.4,4.7" H,97,2.59,ddd,"15.4,13.3,5.5" H,98,2.59,ddd,"15.4,4.7,2.3" H,99,6.73,d,0.5 H,100,3.84,s, H,101,3.84,s, H,102,3.84,s,