C,1,20.25,s, C,2,29.5,s, C,3,20.25,s, C,4,45.18,s, C,5,82.0,s, O,6,,, C,7,172.96,s, O,8,,, C,9,48.5,s, C,10,50.54,s, C,11,26.26,s, C,12,28.16,s, C,13,50.07,s, C,14,49.88,s, N,15,,, C,16,57.53,s, C,17,41.86,s, C,18,23.79,s, H,19,0.88,d,6.4 H,20,0.88,d,6.4 H,21,0.88,d,6.4 H,22,1.87,m,"6.4,5.5" H,23,0.88,d,6.4 H,24,0.88,d,6.4 H,25,0.88,d,6.4 H,26,2.77,dd,"9.7,5.5" H,27,5.47,d,9.4 H,28,2.83,dd,"17.9,9.7" H,29,1.61,ddd,"17.9,17.3,9.3" H,30,1.48,m, H,31,1.48,m, H,32,1.58,m, H,33,1.58,tdd,"12.4,8.3,0.4" H,34,2.24,m, H,35,3.21,dd,"19.7,9.4" H,36,3.21,dd,"11.8,9.4" H,37,,, H,38,4.28,d,9.4 H,39,1.13,s, H,40,1.13,s, H,41,1.13,s,