C,1,21.14,s, C,2,170.21,s, O,3,,, O,4,,, C,5,71.3,s, C,6,37.48,s, C,7,77.55,s, O,8,,, C,9,76.57,s, O,10,,, C,11,71.31,s, C,12,77.48,s, O,13,,, C,14,170.11,s, C,15,21.54,s, O,16,,, C,17,74.36,s, O,18,,, C,19,32.4,s, C,20,69.1,s, O,21,,, C,22,170.0,s, C,23,21.31,s, O,24,,, C,25,47.28,s, C,26,13.26,s, C,27,75.01,s, O,28,,, C,29,169.49,s, C,30,20.73,s, O,31,,, C,32,70.9,s, O,33,,, C,34,169.13,s, C,35,20.95,s, O,36,,, C,37,136.52,s, C,38,140.27,s, C,39,15.8,s, C,40,43.16,s, C,41,25.43,s, C,42,25.43,s, C,43,47.92,s, H,44,1.95,s, H,45,1.95,s, H,46,1.95,s, H,47,6.17,dd,"10.2,5.7" H,48,2.19,dd,"12.4,10.2" H,49,2.19,dd,"12.4,5.7" H,50,,, H,51,4.04,d,7.3 H,52,4.31,s, H,53,4.31,s, H,54,2.14,s, H,55,2.14,s, H,56,2.14,s, H,57,4.08,dd,"9.5,5.5" H,58,,, H,59,2.12,ddd,"12.4,9.5,1.9" H,60,2.12,ddd,"12.4,8.8,5.5" H,61,4.91,dd,"8.8,1.9" H,62,2.01,s, H,63,2.01,s, H,64,2.01,s, H,65,1.66,s, H,66,1.66,s, H,67,1.66,s, H,68,6.13,d,7.0 H,69,2.0,s, H,70,2.0,s, H,71,2.0,s, H,72,6.14,d,7.0 H,73,2.05,s, H,74,2.05,s, H,75,2.05,s, H,76,1.97,s, H,77,1.97,s, H,78,1.97,s, H,79,1.16,s, H,80,1.16,s, H,81,1.16,s, H,82,1.16,s, H,83,1.16,s, H,84,1.16,s, H,85,3.07,d,7.3