C,1,20.45,s, C,2,169.75,s, O,3,,, O,4,,, C,5,60.45,s, C,6,52.75,s, C,7,71.6,s, O,8,,, C,9,169.2,s, C,10,20.5,s, O,11,,, C,12,80.31,s, O,13,,, C,14,166.77,s, O,15,,, C,16,109.63,s, C,17,138.5,s, C,18,119.1,s, C,19,162.7,s, O,20,,, N,21,,, C,22,38.0,s, C,23,143.3,s, C,24,75.2,s, O,25,,, C,26,172.75,s, O,27,,, C,28,75.41,s, C,29,25.33,s, O,30,,, C,31,35.22,s, C,32,31.7,s, C,33,161.49,s, N,34,,, C,35,147.2,s, C,36,124.1,s, C,37,137.2,s, C,38,121.33,s, C,39,165.53,s, O,40,,, O,41,,, C,42,69.9,s, C,43,83.9,s, C,44,18.5,s, O,45,,, C,46,94.3,s, C,47,73.8,s, O,48,,, C,49,170.1,s, C,50,21.6,s, O,51,,, C,52,50.4,s, C,53,68.9,s, O,54,,, C,55,165.1,s, C,56,20.5,s, O,57,,, C,58,71.4,s, O,59,,, C,60,169.05,s, C,61,21.15,s, O,62,,, C,63,70.2,s, C,64,23.17,s, O,65,,, H,66,2.07,s, H,67,2.07,s, H,68,2.07,s, H,69,5.24,s, H,70,5.24,s, H,71,5.71,d,10.1 H,72,2.0,s, H,73,2.0,s, H,74,2.0,s, H,75,5.21,dd,"10.1,4.1" H,76,6.9,dd,"8.0,1.9" H,77,6.63,dd,"8.0,0.5" H,78,4.03,s, H,79,4.03,s, H,80,4.03,s, H,81,7.61,dd,"1.9,0.5" H,82,4.75,d,4.1 H,83,1.47,s, H,84,1.47,s, H,85,1.47,s, H,86,,, H,87,1.9,ddd,"14.3,12.4,3.8" H,88,1.9,ddd,"13.7,12.4,2.4" H,89,2.72,ddd,"15.4,13.7,3.8" H,90,2.72,ddd,"15.4,14.3,2.4" H,91,8.56,dd,"4.5,1.4" H,92,7.51,dd,"8.9,4.5" H,93,8.3,dd,"8.9,1.4" H,94,5.95,s, H,95,5.95,s, H,96,1.69,s, H,97,1.69,s, H,98,1.69,s, H,99,7.02,d,6.2 H,100,2.04,s, H,101,2.04,s, H,102,2.04,s, H,103,2.33,dd,"6.2,0.4" H,104,5.54,dd,"6.0,0.4" H,105,2.03,s, H,106,2.03,s, H,107,2.03,s, H,108,5.32,d,6.0 H,109,2.0,s, H,110,2.0,s, H,111,2.0,s, H,112,1.54,s, H,113,1.54,s, H,114,1.54,s, H,115,,,