C,1,21.23,s, C,2,170.21,s, O,3,,, O,4,,, C,5,77.06,s, C,6,44.32,s, C,7,43.99,s, C,8,17.82,s, C,9,43.9,s, C,10,24.1,s, C,11,123.25,s, C,12,149.11,s, C,13,54.79,s, C,14,109.36,s, C,15,155.34,s, O,16,,, C,17,196.9,s, O,18,,, C,19,47.47,s, C,20,23.93,s, C,21,23.93,s, C,22,50.95,s, C,23,18.02,s, C,24,,, O,25,,, C,26,48.7,s, C,27,43.99,s, C,28,17.82,s, C,29,47.92,s, C,30,77.1,s, C,31,26.44,s, O,32,,, C,33,197.92,s, O,34,,, C,35,129.35,s, C,36,135.73,s, C,37,77.56,s, C,38,27.87,s, C,39,27.87,s, O,40,,, C,41,170.11,s, C,42,21.54,s, O,43,,, H,44,2.02,s, H,45,2.02,s, H,46,2.02,s, H,47,5.44,ddd,"9.3,8.6,7.8" H,48,2.2,dd,"12.4,8.6" H,49,2.2,dd,"12.4,7.8" H,50,0.99,s, H,51,0.99,s, H,52,0.99,s, H,53,1.9,dd,"13.2,7.2" H,54,2.38,ddd,"15.4,13.2,2.8" H,55,2.38,ddd,"15.4,7.2,4.8" H,56,5.48,dd,"4.8,2.8" H,57,4.03,d,2.9 H,58,6.02,d,2.9 H,59,,, H,60,1.13,s, H,61,1.13,s, H,62,1.13,s, H,63,1.13,s, H,64,1.13,s, H,65,1.13,s, H,66,1.3,s, H,67,1.3,s, H,68,1.3,s, H,69,2.57,s, H,70,2.57,s, H,71,1.02,s, H,72,1.02,s, H,73,1.02,s, H,74,3.07,d,9.3 H,75,1.68,s, H,76,1.68,s, H,77,1.68,s, H,78,,, H,79,6.72,d,16.0 H,80,5.99,d,16.0 H,81,1.45,s, H,82,1.45,s, H,83,1.45,s, H,84,1.45,s, H,85,1.45,s, H,86,1.45,s, H,87,2.14,s, H,88,2.14,s, H,89,2.14,s,