C,1,55.45,s, O,2,,, C,3,146.35,s, C,4,112.5,s, C,5,126.03,s, C,6,129.88,s, C,7,111.9,s, C,8,147.0,s, O,9,,, C,10,145.43,s, C,11,139.54,s, O,12,,, C,13,60.99,s, C,14,153.49,s, O,15,,, C,16,56.23,s, C,17,102.0,s, C,18,135.3,s, C,19,108.29,s, C,20,166.2,s, N,21,,, C,22,43.8,s, C,23,27.6,s, C,24,45.3,s, C,25,130.9,s, C,26,128.6,s, C,27,120.41,s, C,28,153.95,s, C,29,120.41,s, C,30,128.6,s, O,31,,, C,32,145.4,s, C,33,132.4,s, C,34,127.97,s, C,35,115.8,s, C,36,110.2,s, C,37,147.49,s, O,38,,, C,39,40.4,s, C,40,65.5,s, N,41,,, C,42,42.27,s, C,43,46.63,s, C,44,25.52,s, H,45,3.8,s, H,46,3.8,s, H,47,3.8,s, H,48,6.55,d,0.5 H,49,6.64,d,0.5 H,50,3.81,s, H,51,3.81,s, H,52,3.81,s, H,53,3.87,s, H,54,3.87,s, H,55,3.87,s, H,56,6.68,s, H,57,3.5,ddd,"12.4,10.4,6.0" H,58,3.5,ddd,"12.4,11.7,2.0" H,59,2.9,ddd,"15.4,10.4,2.0" H,60,2.9,ddd,"15.4,11.7,6.0" H,61,4.19,s, H,62,4.19,s, H,63,6.92,ddd,"23.8,1.9,0.5" H,64,7.06,ddd,"23.8,1.9,0.5" H,65,7.06,ddd,"27.7,1.9,0.5" H,66,6.92,ddd,"27.7,1.9,0.5" H,67,4.74,dd,"1.9,0.5" H,68,6.52,dd,"7.8,1.9" H,69,6.78,dd,"7.8,0.5" H,70,,, H,71,3.01,dd,"15.4,5.5" H,72,3.01,dd,"15.4,12.4" H,73,4.39,dd,"12.4,5.5" H,74,2.54,s, H,75,2.54,s, H,76,2.54,s, H,77,2.78,ddd,"12.4,9.0,1.6" H,78,2.78,ddd,"12.4,9.8,8.4" H,79,2.85,ddd,"15.4,8.4,1.6" H,80,2.85,ddd,"15.4,9.8,9.0"