C,1,20.93,s, C,2,170.26,s, O,3,,, O,4,,, C,5,74.63,s, C,6,39.42,s, C,7,141.4,s, C,8,22.6,s, C,9,123.6,s, C,10,98.3,s, C,11,95.8,s, C,12,128.5,s, C,13,20.0,s, C,14,140.1,s, C,15,130.9,s, C,16,131.94,s, C,17,131.94,s, C,18,126.4,s, C,19,134.26,s, C,20,139.65,s, C,21,16.68,s, C,22,107.76,s, C,23,159.41,s, C,24,129.31,s, C,25,132.21,s, C,26,79.89,s, C,27,130.07,s, C,28,161.75,s, C,29,35.4,s, C,30,26.35,s, C,31,26.35,s, C,32,48.09,s, C,33,64.74,s, O,34,,, C,35,40.59,s, C,36,88.52,s, C,37,27.45,s, O,38,,, C,39,166.77,s, O,40,,, O,41,,, C,42,36.5,s, C,43,30.0,s, C,44,30.0,s, C,45,42.03,s, H,46,2.03,s, H,47,2.03,s, H,48,2.03,s, H,49,5.27,m, H,50,2.67,dd,"15.4,1.9" H,51,2.67,dd,"15.4,5.1" H,52,1.88,s, H,53,1.88,s, H,54,1.88,s, H,55,1.9,s, H,56,1.9,s, H,57,1.9,s, H,58,6.5,d,11.0 H,59,7.81,dd,"13.0,11.0" H,60,6.39,dd,"13.0,11.0" H,61,6.44,dd,"13.0,11.0" H,62,6.49,dd,"13.0,11.0" H,63,6.25,d,11.0 H,64,1.99,s, H,65,1.99,s, H,66,1.99,s, H,67,5.56,s, H,68,6.31,s, H,69,5.57,d,3.9 H,70,5.77,d,3.9 H,71,1.3,s, H,72,1.3,s, H,73,1.3,s, H,74,1.3,s, H,75,1.3,s, H,76,1.3,s, H,77,1.77,dd,"12.4,10.2" H,78,1.77,dd,"12.4,5.1" H,79,3.79,m, H,80,,, H,81,2.27,dd,"12.4,6.6" H,82,2.27,dd,"12.4,8.9" H,83,1.78,s, H,84,1.78,s, H,85,1.78,s, H,86,1.13,s, H,87,1.13,s, H,88,1.13,s, H,89,1.13,s, H,90,1.13,s, H,91,1.13,s, H,92,1.99,dd,"12.4,2.9" H,93,1.99,dd,"12.4,3.3"