C,1,60.7,s, O,2,,, C,3,149.17,s, C,4,107.76,s, C,5,132.07,s, C,6,142.11,s, C,7,107.76,s, C,8,146.4,s, O,9,,, C,10,30.68,s, C,11,49.76,s, N,12,,, C,13,42.25,s, C,14,63.46,s, C,15,35.89,s, C,16,136.58,s, C,17,131.07,s, C,18,111.82,s, C,19,159.41,s, O,20,,, C,21,150.35,s, C,22,147.9,s, C,23,139.18,s, C,24,107.76,s, C,25,149.17,s, O,26,,, C,27,60.7,s, C,28,157.83,s, O,29,,, C,30,57.75,s, C,31,132.07,s, C,32,152.04,s, O,33,,, C,34,59.99,s, C,35,157.83,s, O,36,,, C,37,57.75,s, C,38,157.83,s, O,39,,, C,40,147.9,s, C,41,132.07,s, C,42,63.46,s, C,43,35.89,s, N,44,,, C,45,42.25,s, C,46,49.76,s, C,47,30.68,s, C,48,124.69,s, C,49,132.53,s, H,50,3.81,s, H,51,3.81,s, H,52,3.81,s, H,53,6.12,d,0.5 H,54,7.29,d,0.5 H,55,,, H,56,2.62,ddd,"15.4,11.6,7.5" H,57,1.86,ddd,"15.4,7.7,1.7" H,58,3.0,ddd,"12.4,11.6,7.7" H,59,3.78,ddd,"12.4,7.5,1.7" H,60,2.74,s, H,61,2.74,s, H,62,2.74,s, H,63,4.42,t,6.2 H,64,2.94,d,6.2 H,65,2.94,d,6.2 H,66,7.28,ddd,"7.1,1.9,0.5" H,67,7.43,ddd,"7.1,1.9,0.5" H,68,2.86,s, H,69,3.81,s, H,70,3.81,s, H,71,3.81,s, H,72,3.81,s, H,73,3.81,s, H,74,3.81,s, H,75,3.81,s, H,76,3.81,s, H,77,3.81,s, H,78,3.81,s, H,79,3.81,s, H,80,3.81,s, H,81,,, H,82,4.42,dd,"11.3,7.5" H,83,2.17,dd,"15.4,7.5" H,84,2.17,dd,"15.4,11.3" H,85,2.86,s, H,86,2.86,s, H,87,2.86,s, H,88,3.0,ddd,"12.4,12.2,1.4" H,89,3.0,ddd,"12.4,3.7,3.2" H,90,2.17,ddd,"15.4,3.7,1.4" H,91,2.86,ddd,"15.4,12.2,3.2" H,92,6.88,ddd,"7.6,1.9,0.5" H,93,7.27,ddd,"7.6,1.9,0.5"