C,1,56.0,s, O,2,,, C,3,152.6,s, C,4,111.02,s, C,5,124.7,s, C,6,122.0,s, C,7,131.53,s, C,8,143.7,s, O,9,,, C,10,60.3,s, C,11,50.5,s, C,12,152.75,s, C,13,127.2,s, C,14,185.5,s, O,15,,, C,16,127.2,s, C,17,152.75,s, C,18,46.7,s, C,19,65.2,s, N,20,,, C,21,43.3,s, C,22,54.6,s, C,23,26.8,s, H,24,3.81,s, H,25,3.81,s, H,26,3.81,s, H,27,6.61,s, H,28,3.62,s, H,29,3.62,s, H,30,3.62,s, H,31,6.88,d,11.8 H,32,6.36,d,11.8 H,33,6.36,d,12.0 H,34,6.88,d,12.0 H,35,2.15,dd,"12.4,7.9" H,36,2.15,dd,"12.4,11.4" H,37,4.75,dd,"11.4,7.9" H,38,2.35,s, H,39,2.35,s, H,40,2.35,s, H,41,2.78,ddd,"12.4,3.7,2.8" H,42,2.78,ddd,"13.2,12.4,4.6" H,43,2.85,ddd,"15.4,4.6,2.8" H,44,2.85,ddd,"15.4,13.2,3.7"