C,1,10.52,s, C,2,24.07,s, C,3,35.95,s, C,4,15.13,s, C,5,52.58,s, N,6,,, C,7,171.7,s, O,8,,, C,9,75.2,s, C,10,34.7,s, C,11,15.0,s, C,12,27.2,s, C,13,12.0,s, N,14,,, C,15,43.2,s, C,16,43.2,s, C,17,169.5,s, O,18,,, N,19,,, C,20,49.76,s, C,21,33.14,s, C,22,76.59,s, O,23,,, C,24,159.41,s, C,25,124.69,s, C,26,124.69,s, C,27,170.73,s, O,28,,, C,29,132.07,s, C,30,107.76,s, C,31,110.7,s, C,32,136.89,s, N,33,,, C,34,171.19,s, O,35,,, C,36,60.27,s, C,37,28.9,s, C,38,25.05,s, C,39,47.47,s, N,40,,, C,41,169.5,s, O,42,,, C,43,55.6,s, H,44,0.93,t,7.0 H,45,0.93,t,7.0 H,46,0.93,t,7.0 H,47,1.4,qd,"7.0,6.0" H,48,1.4,qd,"7.0,6.0" H,49,1.44,qtd,"6.5,6.0,5.5" H,50,1.0,d,6.5 H,51,1.0,d,6.5 H,52,1.0,d,6.5 H,53,1.44,d,5.5 H,54,,, H,55,4.13,d,5.4 H,56,2.12,qtd,"6.5,6.0,5.4" H,57,0.97,d,6.5 H,58,0.97,d,6.5 H,59,0.97,d,6.5 H,60,1.31,qd,"7.0,6.0" H,61,1.31,qd,"7.0,6.0" H,62,0.95,t,7.0 H,63,0.95,t,7.0 H,64,0.95,t,7.0 H,65,2.86,s, H,66,2.86,s, H,67,2.86,s, H,68,2.86,s, H,69,2.86,s, H,70,2.86,s, H,71,4.31,ddd,"12.4,5.6,1.5" H,72,3.45,ddd,"14.2,12.4,6.5" H,73,1.59,m, H,74,1.59,m, H,75,3.89,ddd,"8.8,6.9,0.9" H,76,7.29,dd,"9.7,1.9" H,77,6.93,dd,"9.7,0.5" H,78,,, H,79,6.12,dd,"1.9,0.5" H,80,7.43,s, H,81,7.95,s, H,82,,, H,83,3.89,dd,"11.3,9.2" H,84,1.39,m, H,85,1.66,ddd,"12.4,9.2,6.0" H,86,1.64,m, H,87,1.62,m, H,88,3.47,ddd,"12.4,8.7,0.4" H,89,3.47,ddd,"12.4,12.0,8.1" H,90,4.12,d,8.8