C,1,55.99,s, O,2,,, C,3,145.52,s, C,4,110.6,s, C,5,124.7,s, C,6,128.85,s, C,7,113.4,s, C,8,143.4,s, O,9,,, C,10,64.0,s, C,11,39.73,s, C,12,134.0,s, C,13,124.1,s, C,14,120.41,s, C,15,154.2,s, O,16,,, C,17,145.43,s, C,18,136.32,s, O,19,,, C,20,147.92,s, O,21,,, C,22,56.33,s, C,23,109.89,s, C,24,128.7,s, C,25,125.03,s, C,26,35.29,s, C,27,62.2,s, C,28,127.11,s, C,29,125.03,s, C,30,149.4,s, O,31,,, C,32,60.7,s, C,33,137.25,s, O,34,,, C,35,60.93,s, C,36,145.31,s, O,37,,, C,38,60.33,s, C,39,124.28,s, C,40,23.0,s, C,41,50.18,s, N,42,,, C,43,43.72,s, C,44,120.41,s, C,45,124.1,s, N,46,,, C,47,42.39,s, C,48,47.8,s, C,49,24.4,s, H,50,3.86,s, H,51,3.86,s, H,52,3.86,s, H,53,6.65,d,0.5 H,54,6.69,d,0.5 H,55,,, H,56,4.39,t,6.2 H,57,3.66,d,6.2 H,58,3.66,d,6.2 H,59,7.22,ddd,"7.3,1.9,0.5" H,60,7.06,ddd,"7.3,1.9,0.5" H,61,,, H,62,3.84,s, H,63,3.84,s, H,64,3.84,s, H,65,7.34,s, H,66,3.01,dd,"15.4,10.0" H,67,3.01,dd,"15.4,1.9" H,68,2.97,dd,"10.0,1.9" H,69,3.84,s, H,70,3.84,s, H,71,3.84,s, H,72,3.83,s, H,73,3.83,s, H,74,3.83,s, H,75,3.72,s, H,76,3.72,s, H,77,3.72,s, H,78,2.59,ddd,"15.4,8.2,1.2" H,79,2.59,ddd,"15.4,11.9,8.5" H,80,2.78,ddd,"12.4,8.5,1.2" H,81,2.78,ddd,"12.4,11.9,8.2" H,82,2.55,s, H,83,2.55,s, H,84,2.55,s, H,85,7.06,ddd,"7.2,1.9,0.5" H,86,7.22,ddd,"7.2,1.9,0.5" H,87,2.54,s, H,88,2.54,s, H,89,2.54,s, H,90,2.78,ddd,"12.4,10.5,7.7" H,91,2.78,ddd,"12.4,10.7,1.8" H,92,2.85,ddd,"15.4,10.5,1.8" H,93,2.85,ddd,"15.4,10.7,7.7"