C,1,21.83,s, C,2,170.26,s, O,3,,, O,4,,, C,5,81.0,s, C,6,37.97,s, C,7,15.83,s, C,8,37.71,s, C,9,93.72,s, O,10,,, C,11,169.3,s, C,12,20.9,s, O,13,,, C,14,73.63,s, O,15,,, C,16,170.09,s, C,17,21.04,s, O,18,,, C,19,77.48,s, C,20,25.81,s, O,21,,, C,22,105.19,s, O,23,,, C,24,170.32,s, C,25,21.41,s, O,26,,, C,27,41.86,s, C,28,78.41,s, O,29,,, C,30,164.75,s, O,31,,, C,32,126.25,s, C,33,137.32,s, C,34,123.64,s, C,35,153.57,s, N,36,,, C,37,150.9,s, C,38,35.12,s, C,39,24.31,s, C,40,22.42,s, C,41,59.16,s, C,42,21.06,s, C,43,22.06,s, C,44,22.06,s, C,45,80.35,s, O,46,,, C,47,170.25,s, C,48,21.2,s, O,49,,, C,50,46.02,s, H,51,2.04,s, H,52,2.04,s, H,53,2.04,s, H,54,5.78,dd,"6.9,3.7" H,55,2.25,m, H,56,0.93,d,6.5 H,57,0.93,d,6.5 H,58,0.93,d,6.5 H,59,1.96,dd,"12.4,9.8" H,60,1.96,dd,"12.4,1.6" H,61,1.97,s, H,62,1.97,s, H,63,1.97,s, H,64,4.34,s, H,65,2.04,s, H,66,2.04,s, H,67,2.04,s, H,68,1.3,s, H,69,1.3,s, H,70,1.3,s, H,71,5.8,s, H,72,2.02,s, H,73,2.02,s, H,74,2.02,s, H,75,4.77,dd,"11.3,2.3" H,76,8.57,ddd,"8.0,1.9,1.4" H,77,7.48,ddd,"8.0,4.6,0.5" H,78,8.78,dd,"4.6,1.4" H,79,9.55,dd,"1.9,0.5" H,80,1.88,ddd,"12.4,6.5,2.3" H,81,1.88,ddd,"12.4,11.3,10.8" H,82,1.48,ddd,"10.8,8.9,6.5" H,83,0.31,dd,"10.0,8.9" H,84,2.39,d,10.0 H,85,0.98,s, H,86,0.98,s, H,87,0.98,s, H,88,0.98,s, H,89,0.98,s, H,90,0.98,s, H,91,5.71,d,9.9 H,92,2.05,s, H,93,2.05,s, H,94,2.05,s, H,95,3.16,dd,"9.9,3.7"