C,1,22.39,s, C,2,24.3,s, C,3,22.39,s, C,4,40.35,s, C,5,51.75,s, N,6,,, C,7,169.03,s, O,8,,, C,9,62.56,s, C,10,26.59,s, C,11,18.86,s, C,12,18.86,s, N,13,,, C,14,30.17,s, C,15,171.45,s, O,16,,, C,17,48.78,s, C,18,41.25,s, C,19,24.86,s, C,20,22.07,s, C,21,22.07,s, N,22,,, C,23,172.18,s, O,24,,, C,25,53.23,s, C,26,35.89,s, C,27,132.04,s, C,28,142.42,s, N,29,,, C,30,145.66,s, C,31,107.77,s, C,32,132.5,s, C,33,132.5,s, C,34,131.13,s, C,35,132.04,s, N,36,,, C,37,172.18,s, O,38,,, C,39,53.23,s, C,40,35.89,s, C,41,136.58,s, C,42,131.13,s, C,43,132.5,s, C,44,132.5,s, C,45,132.5,s, C,46,132.49,s, N,47,,, C,48,171.12,s, O,49,,, H,50,0.92,d,6.4 H,51,0.92,d,6.4 H,52,0.92,d,6.4 H,53,1.73,m,"6.4,5.9" H,54,0.92,d,6.4 H,55,0.92,d,6.4 H,56,0.92,d,6.4 H,57,1.58,ddd,"12.4,6.2,5.9" H,58,1.6,ddd,"12.4,6.2,5.9" H,59,3.9,t,6.2 H,60,,, H,61,4.05,d,5.7 H,62,1.44,m,"6.4,5.7" H,63,0.97,d,6.4 H,64,0.97,d,6.4 H,65,0.97,d,6.4 H,66,0.97,d,6.4 H,67,0.97,d,6.4 H,68,0.97,d,6.4 H,69,3.03,s, H,70,3.03,s, H,71,3.03,s, H,72,3.49,t,6.2 H,73,1.84,dd,"6.2,5.9" H,74,1.84,dd,"6.2,5.9" H,75,1.44,m,"6.4,5.9" H,76,0.92,d,6.4 H,77,0.92,d,6.4 H,78,0.92,d,6.4 H,79,0.92,d,6.4 H,80,0.92,d,6.4 H,81,0.92,d,6.4 H,82,,, H,83,3.49,t,6.3 H,84,2.25,dd,"13.4,6.3" H,85,2.17,dd,"13.4,6.3" H,86,7.28,d,0.5 H,87,,, H,88,7.53,ddd,"6.7,1.4,0.5" H,89,7.28,ddd,"7.9,6.7,1.4" H,90,7.28,ddd,"7.9,6.9,1.4" H,91,7.72,ddt,"6.9,1.4,0.5" H,92,,, H,93,3.89,t,6.3 H,94,3.25,dd,"13.4,6.3" H,95,3.05,dd,"13.4,6.3" H,96,7.28,m, H,97,7.28,m, H,98,7.36,ddt,"8.0,7.4,1.4" H,99,7.28,m, H,100,7.36,m, H,101,,,