C,1,22.42,s, C,2,24.66,s, C,3,22.42,s, C,4,36.24,s, C,5,57.53,s, N,6,,, C,7,162.36,s, O,8,,, C,9,57.53,s, C,10,30.56,s, C,11,18.38,s, C,12,18.38,s, N,13,,, C,14,162.36,s, O,15,,, C,16,57.53,s, C,17,35.29,s, C,18,134.98,s, C,19,130.49,s, C,20,115.71,s, C,21,156.27,s, O,22,,, C,23,115.71,s, C,24,130.49,s, N,25,,, C,26,31.45,s, C,27,169.5,s, O,28,,, C,29,57.53,s, C,30,32.8,s, C,31,134.98,s, C,32,129.1,s, C,33,128.8,s, C,34,126.94,s, C,35,128.8,s, C,36,129.1,s, N,37,,, C,38,162.36,s, O,39,,, C,40,49.05,s, N,41,,, C,42,37.1,s, C,43,169.5,s, O,44,,, C,45,58.57,s, C,46,28.74,s, C,47,24.42,s, C,48,47.47,s, N,49,,, C,50,167.9,s, O,51,,, C,52,56.3,s, C,53,35.1,s, C,54,127.7,s, C,55,130.6,s, C,56,115.5,s, C,57,156.27,s, O,58,,, C,59,115.5,s, C,60,130.6,s, N,61,,, C,62,33.32,s, C,63,169.5,s, O,64,,, H,65,0.8,d,6.4 H,66,0.8,d,6.4 H,67,0.8,d,6.4 H,68,1.67,m,"6.4,5.9" H,69,0.8,d,6.4 H,70,0.8,d,6.4 H,71,0.8,d,6.4 H,72,1.87,dd,"6.1,5.9" H,73,1.87,dd,"6.1,5.9" H,74,3.58,t,6.1 H,75,,, H,76,4.03,d,5.4 H,77,2.19,m,"6.4,5.4" H,78,0.82,d,6.4 H,79,0.82,d,6.4 H,80,0.82,d,6.4 H,81,0.82,d,6.4 H,82,0.82,d,6.4 H,83,0.82,d,6.4 H,84,,, H,85,4.28,t,6.6 H,86,3.01,d,6.6 H,87,3.01,d,6.6 H,88,7.03,ddd,"7.6,1.9,0.5" H,89,6.69,ddd,"7.6,1.9,0.5" H,90,,, H,91,6.69,ddd,"6.4,1.9,0.5" H,92,7.03,ddd,"6.4,1.9,0.5" H,93,2.91,s, H,94,2.91,s, H,95,2.91,s, H,96,3.58,t,6.2 H,97,3.5,d,6.2 H,98,3.5,d,6.2 H,99,7.25,m, H,100,7.24,m, H,101,7.22,tt,"8.1,1.4" H,102,7.24,m, H,103,7.25,m, H,104,,, H,105,3.58,s, H,106,3.58,s, H,107,3.24,s, H,108,3.24,s, H,109,3.24,s, H,110,4.48,dd,"5.5,0.7" H,111,2.08,m, H,112,2.08,m, H,113,2.22,m, H,114,2.22,m, H,115,3.7,ddd,"12.4,10.3,2.5" H,116,3.7,ddd,"12.4,11.6,7.4" H,117,4.49,t,6.5 H,118,3.18,d,6.5 H,119,3.18,d,6.5 H,120,7.11,ddd,"7.7,1.9,0.5" H,121,6.69,ddd,"7.7,1.9,0.5" H,122,,, H,123,6.69,ddd,"6.6,1.9,0.5" H,124,7.11,ddd,"6.6,1.9,0.5" H,125,2.92,s, H,126,2.92,s, H,127,2.92,s,