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,25,111.82,s, C,26,131.07,s, C,27,137.57,s, C,28,160.86,s, O,29,,, C,30,56.12,s, C,31,97.78,s, C,32,110.7,s, C,33,136.89,s, N,34,,, C,35,171.19,s, O,36,,, C,37,60.27,s, C,38,28.9,s, C,39,25.05,s, C,40,47.47,s, N,41,,, C,42,169.5,s, O,43,,, C,44,55.6,s, H,45,0.93,t,7.0 H,46,0.93,t,7.0 H,47,0.93,t,7.0 H,48,1.4,qd,"7.0,6.0" H,49,1.4,qd,"7.0,6.0" H,50,1.44,qtd,"6.5,6.0,5.5" H,51,1.0,d,6.5 H,52,1.0,d,6.5 H,53,1.0,d,6.5 H,54,5.63,d,5.5 H,55,,, H,56,4.13,d,5.4 H,57,1.44,qtd,"6.5,6.0,5.4" H,58,0.97,d,6.5 H,59,0.97,d,6.5 H,60,0.97,d,6.5 H,61,1.4,qd,"7.0,6.0" H,62,1.4,qd,"7.0,6.0" H,63,0.95,t,7.0 H,64,0.95,t,7.0 H,65,0.95,t,7.0 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,71,2.86,s, H,72,3.0,ddd,"12.4,3.8,2.0" H,73,3.0,ddd,"14.1,12.4,5.8" H,74,1.59,m, H,75,1.59,m, H,76,3.89,ddd,"9.7,8.6,1.5" H,77,6.32,dd,"22.4,1.9" H,78,7.06,dd,"22.4,0.5" H,79,3.89,s, H,80,3.89,s, H,81,3.89,s, H,82,6.12,dd,"1.9,0.5" H,83,2.86,s, H,84,7.95,s, H,85,,, H,86,4.42,dd,"11.1,6.1" H,87,1.84,m, H,88,1.64,m, H,89,2.31,m, H,90,1.64,m, H,91,3.0,dt,"12.4,1.6" H,92,3.47,ddd,"13.3,12.4,4.4" H,93,4.37,d,9.7