C,1,22.7,s, C,2,169.7,s, O,3,,, O,4,,, C,5,70.4,s, C,6,35.4,s, C,7,169.6,s, O,8,,, O,9,,, C,10,84.41,s, C,11,28.23,s, C,12,28.23,s, C,13,52.87,s, C,14,35.12,s, C,15,73.8,s, O,16,,, C,17,169.8,s, C,18,21.0,s, O,19,,, C,20,47.0,s, C,21,24.9,s, C,22,159.3,s, C,23,118.0,s, C,24,34.8,s, C,25,50.54,s, C,26,41.19,s, C,27,70.43,s, O,28,,, C,29,80.57,s, C,30,22.88,s, C,31,22.88,s, C,32,74.89,s, O,33,,, C,34,70.48,s, O,35,,, C,36,35.12,s, C,37,39.94,s, C,38,20.6,s, C,39,37.39,s, C,40,16.6,s, C,41,39.43,s, C,42,44.06,s, C,43,12.18,s, H,44,2.13,s, H,45,2.13,s, H,46,2.13,s, H,47,5.61,dd,"4.4,3.5" H,48,2.66,dd,"13.4,4.4" H,49,1.59,dd,"13.4,3.5" H,50,1.3,s, H,51,1.3,s, H,52,1.3,s, H,53,1.3,s, H,54,1.3,s, H,55,1.3,s, H,56,1.59,dd,"11.6,3.0" H,57,2.0,ddd,"12.4,3.3,3.0" H,58,2.0,ddd,"12.4,11.6,3.5" H,59,4.05,dd,"3.5,3.3" H,60,2.13,s, H,61,2.13,s, H,62,2.13,s, H,63,0.69,s, H,64,0.69,s, H,65,0.69,s, H,66,6.65,dd,"5.6,2.6" H,67,2.0,ddd,"12.4,5.6,4.4" H,68,2.12,ddd,"13.4,12.4,2.6" H,69,1.83,ddd,"13.4,5.6,4.4" H,70,1.59,m, H,71,3.74,dd,"12.4,4.9" H,72,3.74,dd,"12.4,12.3" H,73,1.3,s, H,74,1.3,s, H,75,1.3,s, H,76,1.3,s, H,77,1.3,s, H,78,1.3,s, H,79,4.05,d,1.7 H,80,,, H,81,4.12,ddd,"9.8,2.9,1.7" H,82,,, H,83,1.59,ddd,"12.4,9.8,0.9" H,84,2.86,ddd,"12.4,11.2,2.9" H,85,0.71,s, H,86,0.71,s, H,87,0.71,s, H,88,2.0,ddd,"12.4,12.1,9.1" H,89,1.75,ddd,"12.4,7.8,1.6" H,90,1.47,m, H,91,2.0,m, H,92,1.83,dd,"11.8,1.2" H,93,0.71,s, H,94,0.71,s, H,95,0.71,s,