#rdkit symbol shift mult coup 44 H 4.91399817017383 t 5.8 34 H 0.8378774016468435 t 7.0 33 H 0.8378774016468435 t 7.0 35 H 0.8378774016468435 t 7.0 37 H 1.11582799634035 dtq -12.4,6.6,7.0 36 H 1.25937785910339 dtq -12.4,6.6,7.0 38 H 1.23165599268069 dp -12.4,6.6 39 H 1.08215919487649 dp -12.4,6.6 41 H 0.870722781335772 dp -12.4,6.6 40 H 1.4291857273559 dp -12.4,6.6 42 H 1.86944190301921 ddt -12.4,5.8,6.6 43 H 1.85288197621226 ddt -12.4,5.8,6.6 54 H 8.39524245196706 s NA 55 H 7.18096980786825 s NA 56 H 12.0289112534309 s NA 57 H 7.30256175663312 s NA 59 H 12.2212259835316 s NA 58 H 6.40942360475755 s NA 45 H 3.91500457456542 dt -11.4,6.2 46 H 3.69194876486734 dt -11.4,6.2 48 H 1.44748398902104 dtt -12.4,6.2,6.6 47 H 1.23074107959744 dtt -12.4,6.2,6.6 49 H 1.05251601097895 dtq -12.4,6.6,7.0 50 H 1.36541628545288 dtq -12.4,6.6,7.0 52 H 0.2792619701128383 t 7.0 51 H 0.2792619701128383 t 7.0 53 H 0.2792619701128383 t 7.0