C,1,27.4,s, C,2,70.8,s, C,3,27.4,s, O,4,,, C,5,85.3,s, C,6,24.6,s, C,7,36.8,s, C,8,86.4,s, C,9,26.0,s, C,10,47.92,s, C,11,72.8,s, O,12,,, C,13,48.02,s, C,14,46.8,s, C,15,20.0,s, C,16,54.99,s, C,17,67.3,s, O,18,,, C,19,35.12,s, C,20,49.45,s, C,21,38.91,s, C,22,22.7,s, C,23,22.7,s, C,24,78.07,s, O,25,,, C,26,30.37,s, C,27,32.04,s, C,28,23.81,s, C,29,28.65,s, C,30,21.2,s, C,31,27.6,s, C,32,32.64,s, C,33,43.99,s, C,34,17.82,s, O,35,,, H,36,1.38,s, H,37,1.38,s, H,38,1.38,s, H,39,1.38,s, H,40,1.38,s, H,41,1.38,s, H,42,,, H,43,3.78,dd,"8.3,8.0" H,44,2.15,m, H,45,2.15,m, H,46,2.8,ddd,"12.4,11.6,3.5" H,47,2.8,ddd,"12.4,12.0,6.6" H,48,1.23,s, H,49,1.23,s, H,50,1.23,s, H,51,2.44,d,6.0 H,52,4.74,ddd,"9.9,6.0,2.4" H,53,,, H,54,2.08,dd,"12.4,9.9" H,55,2.08,dd,"12.4,2.4" H,56,0.97,s, H,57,0.97,s, H,58,0.97,s, H,59,2.65,d,2.0 H,60,4.19,ddd,"6.2,2.3,2.0" H,61,,, H,62,1.88,ddd,"12.4,8.6,6.2" H,63,1.88,ddd,"12.4,9.9,2.3" H,64,1.33,dd,"9.9,8.6" H,65,0.98,s, H,66,0.98,s, H,67,0.98,s, H,68,0.98,s, H,69,0.98,s, H,70,0.98,s, H,71,3.34,dd,"3.9,1.2" H,72,,, H,73,1.66,m, H,74,1.66,m, H,75,1.41,ddd,"13.3,12.4,6.6" H,76,1.41,ddd,"12.4,3.0,2.9" H,77,0.62,s, H,78,0.62,s, H,79,2.25,ddd,"12.4,11.2,6.9" H,80,2.25,ddd,"12.4,11.8,0.9" H,81,1.65,ddd,"12.4,11.8,6.9" H,82,1.65,ddd,"12.4,11.2,0.9" H,83,1.34,s, H,84,1.34,s, H,85,1.34,s,