C,1,53.1,s, O,2,,, C,3,172.75,s, O,4,,, C,5,77.48,s, O,6,,, C,7,,, O,8,,, C,9,41.86,s, C,10,144.6,s, C,11,124.8,s, C,12,45.6,s, N,13,,, C,14,53.74,s, C,15,38.94,s, C,16,41.86,s, C,17,132.07,s, C,18,132.53,s, C,19,124.69,s, C,20,151.9,s, C,21,157.83,s, C,22,145.66,s, N,23,,, C,24,61.74,s, C,25,34.93,s, C,26,35.28,s, O,27,,, C,28,98.83,s, O,29,,, C,30,71.28,s, H,31,3.73,s, H,32,3.73,s, H,33,3.73,s, H,34,,, H,35,6.65,d,11.0 H,36,7.36,ddd,"11.0,5.0,2.9" H,37,3.5,dd,"15.4,5.0" H,38,3.5,dd,"15.4,2.9" H,39,3.0,ddd,"9.4,8.2,1.0" H,40,3.0,ddd,"13.2,9.4,5.7" H,41,1.59,ddd,"13.2,12.4,8.2" H,42,1.59,ddd,"12.4,5.7,1.0" H,43,6.93,d,7.9 H,44,6.64,d,7.9 H,45,,, H,46,1.59,ddd,"12.4,10.8,1.4" H,47,2.38,ddd,"12.4,10.8,8.6" H,48,1.75,ddd,"12.4,10.8,8.6" H,49,1.75,ddd,"12.4,10.8,1.4" H,50,3.74,s, H,51,3.74,s, H,52,4.42,s,