C,1,14.09,s, C,2,61.3,s, O,3,,, C,4,169.3,s, O,5,,, C,6,37.7,s, C,7,76.56,s, O,8,,, C,9,87.86,s, C,10,25.04,s, C,11,25.04,s, C,12,149.8,s, C,13,162.7,s, C,14,38.54,s, C,15,83.1,s, C,16,43.2,s, C,17,32.2,s, C,18,50.7,s, C,19,26.5,s, C,20,,, O,21,,, C,22,44.6,s, C,23,14.6,s, C,24,40.0,s, C,25,46.2,s, C,26,98.4,s, O,27,,, C,28,79.25,s, C,29,43.28,s, C,30,12.66,s, C,31,172.96,s, O,32,,, O,33,,, C,34,79.25,s, O,35,,, C,36,,, O,37,,, C,38,60.7,s, C,39,71.11,s, O,40,,, C,41,39.37,s, H,42,1.23,t,6.7 H,43,1.23,t,6.7 H,44,1.23,t,6.7 H,45,4.18,q,6.7 H,46,4.18,q,6.7 H,47,2.74,d,6.1 H,48,2.74,d,6.1 H,49,5.61,t,6.1 H,50,1.16,s, H,51,1.16,s, H,52,1.16,s, H,53,1.16,s, H,54,1.16,s, H,55,1.16,s, H,56,3.21,s, H,57,3.21,s, H,58,1.8,ddd,"14.1,12.4,3.1" H,59,1.8,ddd,"12.4,5.6,4.4" H,60,1.79,ddd,"14.1,12.4,4.4" H,61,1.79,ddd,"12.4,5.6,3.1" H,62,1.09,s, H,63,1.09,s, H,64,1.09,s, H,65,2.71,dq,"9.9,6.7" H,66,1.04,d,6.7 H,67,1.04,d,6.7 H,68,1.04,d,6.7 H,69,2.77,ddd,"9.9,7.0,0.7" H,70,3.22,d,7.0 H,71,4.66,dd,"8.1,7.9" H,72,2.82,dq,"7.9,6.7" H,73,1.23,d,6.7 H,74,1.23,d,6.7 H,75,1.23,d,6.7 H,76,4.66,dd,"8.1,0.7" H,77,3.01,d,4.0 H,78,4.19,ddd,"4.0,3.3,3.0" H,79,,, H,80,2.52,dd,"13.4,3.0" H,81,2.52,dd,"13.4,3.3"