C,1,53.3,s, O,2,,, C,3,172.45,s, O,4,,, C,5,77.64,s, O,6,,, C,7,173.1,s, C,8,20.9,s, O,9,,, C,10,53.43,s, C,11,42.24,s, C,12,16.14,s, C,13,46.67,s, C,14,92.55,s, O,15,,, C,16,170.2,s, C,17,21.4,s, O,18,,, C,19,46.02,s, C,20,76.57,s, O,21,,, C,22,169.94,s, C,23,21.13,s, O,24,,, C,25,77.48,s, O,26,,, C,27,52.87,s, C,28,26.7,s, C,29,75.84,s, O,30,,, C,31,44.95,s, C,32,14.1,s, C,33,80.12,s, C,34,120.49,s, C,35,109.66,s, C,36,142.98,s, O,37,,, C,38,141.04,s, O,39,,, C,40,170.48,s, O,41,,, C,42,37.39,s, C,43,52.87,s, C,44,41.86,s, C,45,23.79,s, C,46,80.35,s, O,47,,, C,48,170.25,s, C,49,21.2,s, O,50,,, H,51,3.76,s, H,52,3.76,s, H,53,3.76,s, H,54,4.87,d,5.7 H,55,1.64,s, H,56,1.64,s, H,57,1.64,s, H,58,2.38,d,5.7 H,59,1.13,s, H,60,1.13,s, H,61,1.13,s, H,62,2.06,s, H,63,2.06,s, H,64,2.14,s, H,65,2.14,s, H,66,2.14,s, H,67,3.16,dd,"4.6,2.3" H,68,5.19,d,2.3 H,69,2.04,s, H,70,2.04,s, H,71,2.04,s, H,72,,, H,73,2.29,dd,"12.2,2.2" H,74,1.88,ddd,"12.4,12.2,10.5" H,75,1.88,ddd,"12.4,6.2,2.2" H,76,4.12,dd,"10.5,6.2" H,77,,, H,78,1.25,s, H,79,1.25,s, H,80,1.25,s, H,81,6.02,s, H,82,6.44,dd,"3.2,1.9" H,83,7.43,d,3.2 H,84,7.54,d,1.9 H,85,3.57,dd,"15.4,10.8" H,86,3.57,dd,"15.4,0.7" H,87,2.29,dd,"10.8,0.7" H,88,1.13,s, H,89,1.13,s, H,90,1.13,s, H,91,5.71,d,4.6 H,92,2.05,s, H,93,2.05,s, H,94,2.05,s,