C,1,28.34,s, C,2,30.8,s, C,3,28.34,s, C,4,33.93,s, C,5,32.65,s, C,6,46.27,s, C,7,181.68,s, O,8,,, O,9,,, C,10,23.23,s, C,11,28.0,s, C,12,41.54,s, C,13,26.08,s, C,14,144.41,s, C,15,122.29,s, C,16,23.3,s, C,17,48.1,s, C,18,37.3,s, C,19,16.08,s, C,20,37.13,s, C,21,26.96,s, C,22,76.89,s, O,23,,, C,24,42.73,s, C,25,20.29,s, C,26,71.2,s, O,27,,, S,28,,, O,29,,, O,30,,, O,31,,, C,32,51.09,s, C,33,18.82,s, C,34,33.41,s, C,35,39.2,s, C,36,16.87,s, C,37,41.8,s, C,38,46.31,s, H,39,0.92,s, H,40,0.92,s, H,41,0.92,s, H,42,0.94,s, H,43,0.94,s, H,44,0.94,s, H,45,2.0,ddd,"13.6,12.4,3.8" H,46,1.47,ddd,"12.4,4.4,4.2" H,47,1.75,ddd,"12.4,4.2,3.8" H,48,2.0,ddd,"13.6,12.4,4.4" H,49,,, H,50,2.0,ddd,"12.4,11.0,1.0" H,51,1.59,ddd,"12.4,10.7,7.0" H,52,2.0,ddd,"12.4,11.0,7.0" H,53,2.0,ddd,"12.4,10.7,1.0" H,54,0.71,s, H,55,0.71,s, H,56,0.71,s, H,57,5.2,dd,"4.5,3.1" H,58,2.0,ddd,"15.4,12.7,3.1" H,59,2.12,ddd,"15.4,5.2,4.5" H,60,2.12,dd,"12.7,5.2" H,61,0.69,s, H,62,0.69,s, H,63,0.69,s, H,64,2.0,ddd,"12.4,11.2,6.8" H,65,1.8,ddd,"12.4,8.5,2.1" H,66,2.0,m, H,67,1.39,m, H,68,3.49,dd,"9.8,5.2" H,69,,, H,70,0.71,s, H,71,0.71,s, H,72,0.71,s, H,73,3.85,s, H,74,3.85,s, H,75,,, H,76,1.83,dd,"11.2,7.3" H,77,2.0,m, H,78,1.47,m, H,79,2.0,ddd,"12.4,11.8,2.6" H,80,2.0,ddd,"12.4,11.9,3.3" H,81,0.69,s, H,82,0.69,s, H,83,0.69,s, H,84,1.86,dd,"10.7,1.6" H,85,1.75,dd,"12.4,1.6" H,86,2.0,dd,"12.4,10.7"