C,1,21.2,s, C,2,170.25,s, O,3,,, O,4,,, C,5,80.35,s, C,6,50.4,s, C,7,45.38,s, C,8,34.31,s, C,9,40.19,s, C,10,15.83,s, C,11,79.8,s, O,12,,, C,13,,, C,14,27.34,s, O,15,,, C,16,73.64,s, O,17,,, C,18,70.82,s, O,19,,, C,20,60.72,s, C,21,74.88,s, O,22,,, C,23,77.48,s, C,24,25.83,s, O,25,,, C,26,77.48,s, C,27,25.83,s, C,28,40.4,s, C,29,57.1,s, C,30,35.89,s, C,31,136.58,s, C,32,131.13,s, C,33,132.5,s, C,34,132.5,s, C,35,132.5,s, C,36,132.49,s, N,37,,, C,38,176.68,s, O,39,,, C,40,41.87,s, H,41,2.13,s, H,42,2.13,s, H,43,2.13,s, H,44,3.89,d,4.7 H,45,1.59,ddd,"11.6,10.5,4.7" H,46,1.83,m, H,47,0.99,ddd,"12.4,3.5,1.4" H,48,1.87,ddd,"12.7,12.4,11.4" H,49,1.74,dqd,"12.7,6.6,3.5" H,50,0.97,d,6.6 H,51,0.97,d,6.6 H,52,0.97,d,6.6 H,53,,, H,54,2.5,s, H,55,2.5,s, H,56,2.5,s, H,57,3.89,d,11.6 H,58,,, H,59,3.89,dd,"9.2,7.6" H,60,,, H,61,2.12,dd,"10.9,9.2" H,62,3.89,d,10.9 H,63,,, H,64,1.3,s, H,65,1.3,s, H,66,1.3,s, H,67,1.3,s, H,68,1.3,s, H,69,1.3,s, H,70,2.93,d,4.3 H,71,4.05,td,"6.2,4.3" H,72,2.94,d,6.2 H,73,2.94,d,6.2 H,74,7.28,m, H,75,7.28,m, H,76,7.28,ddt,"8.5,8.0,1.4" H,77,7.28,m, H,78,7.28,m, H,79,,,