#rdkit symbol shift mult coup 42 H 4.98417200365965 dd 1.8,11.2 53 H 1.47099725526075 m 1.6,6.4,7.6,11.0 57 H 3.59048490393412 d 7.6 59 H 3.58627630375114 q 6.6 69 H 4.33860933211345 dd 4.2,12.2 43 H 2.41299176578225 ddd -15.4,1.8,3.6 44 H 2.66413540713632 ddd -15.4,6.6,11.2 45 H 5.00228728270814 ddd 3.6,6.6,15.0 46 H 5.49277218664227 ddd 2.6,7.6,15.0 47 H 2.21006404391583 dtd -15.4,2.6,7.2 48 H 1.4811527904849 dtd -15.4,7.6,13.4 49 H 2.30393412625801 m -12.4,7.2,9.8,10.2,13.4 50 H 1.39551692589204 m -12.4,1.2,2.6,7.6,10.4 52 H 1.06038426349497 m -12.4,1.2,1.6,10.2 51 H 1.60173833485819 m -12.4,9.8,10.4,11.0 72 H 2.2459286367795 dd -15.4,4.2 71 H 2.19021043000915 dd -15.4,12.2 70 H 3.82836230558097 s NA 67 H 1.3933821286977732 s NA 68 H 1.3933821286977732 s NA 66 H 1.3933821286977732 s NA 63 H 1.0014943580359876 s NA 65 H 1.0014943580359876 s NA 64 H 1.0014943580359876 s NA 61 H 1.0675205855443723 d 6.6 62 H 1.0675205855443723 d 6.6 60 H 1.0675205855443723 d 6.6 58 H 3.94794144556267 s NA 55 H 1.4362000609942054 d 6.4 54 H 1.4362000609942054 d 6.4 56 H 1.4362000609942054 d 6.4 37 H 6.16093321134492 s NA 38 H 7.23577310155535 s NA 39 H 2.38505641964013 s NA 40 H 2.38505641964013 s NA 41 H 2.38505641964013 s NA 34 H 1.8051540103690134 s NA 36 H 1.8051540103690134 s NA 35 H 1.8051540103690134 s NA