C,1,21.23,s, C,2,170.21,s, O,3,,, O,4,,, C,5,77.06,s, C,6,35.12,s, C,7,48.1,s, C,8,36.2,s, C,9,15.5,s, C,10,38.2,s, C,11,23.94,s, C,12,80.49,s, O,13,,, C,14,166.18,s, O,15,,, C,16,42.9,s, C,17,168.1,s, O,18,,, O,19,,, C,20,37.9,s, C,21,22.35,s, C,22,22.35,s, C,23,54.9,s, C,24,17.96,s, C,25,33.91,s, C,26,41.5,s, C,27,16.09,s, C,28,41.0,s, C,29,17.1,s, C,30,31.1,s, C,31,25.2,s, C,32,54.7,s, C,33,83.54,s, C,34,23.46,s, C,35,36.8,s, C,36,24.6,s, C,37,85.3,s, C,38,70.8,s, C,39,27.4,s, C,40,27.4,s, O,41,,, O,42,,, C,43,54.73,s, H,44,2.13,s, H,45,2.13,s, H,46,2.13,s, H,47,3.89,ddd,"9.5,3.3,0.9" H,48,2.58,ddd,"12.4,10.2,9.5" H,49,2.0,ddd,"12.4,6.9,0.9" H,50,2.12,dd,"10.2,6.9" H,51,0.69,s, H,52,0.69,s, H,53,0.69,s, H,54,2.0,ddd,"13.9,12.4,5.8" H,55,2.0,ddd,"12.4,3.9,3.6" H,56,2.58,m, H,57,1.39,m, H,58,4.05,dd,"11.5,5.1" H,59,3.85,s, H,60,3.85,s, H,61,,, H,62,0.69,s, H,63,0.69,s, H,64,0.69,s, H,65,0.69,s, H,66,0.69,s, H,67,0.69,s, H,68,2.12,dd,"12.1,3.1" H,69,1.31,tdd,"12.4,12.1,6.0" H,70,2.0,m, H,71,2.0,ddd,"12.4,6.0,2.5" H,72,1.27,td,"12.4,7.2" H,73,0.69,s, H,74,0.69,s, H,75,0.69,s, H,76,0.69,s, H,77,0.69,s, H,78,0.69,s, H,79,1.87,ddd,"12.4,11.7,5.2" H,80,2.0,ddd,"12.4,11.4,3.6" H,81,1.47,m, H,82,2.0,m, H,83,1.83,ddd,"11.5,9.5,8.5" H,84,1.3,s, H,85,1.3,s, H,86,1.3,s, H,87,1.59,ddd,"12.4,11.1,8.3" H,88,2.0,ddd,"12.4,10.9,2.3" H,89,2.07,m, H,90,2.58,m, H,91,3.49,dd,"8.1,7.1" H,92,1.3,s, H,93,1.3,s, H,94,1.3,s, H,95,1.3,s, H,96,1.3,s, H,97,1.3,s, H,98,,, H,99,1.83,dd,"11.5,3.3"