WUY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N01 | C02 | sing | 1.47Å | 1.45Å | |
| C02 | C03 | sing | 1.53Å | 1.52Å | |
| C03 | N04 | sing | 1.47Å | 1.44Å | |
| N04 | C05 | sing | 1.35Å | 1.45Å | |
| O13 | C05 | doub | 1.22Å | 1.18Å | |
| C05 | N06 | sing | 1.35Å | 1.46Å | |
| N06 | C07 | sing | 1.40Å | 1.46Å | |
| C08 | C07 | doub | 1.39Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C09 | C10 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| N01 | H2 | sing | 1.01Å | 1.00Å | |
| N01 | H3 | sing | 1.01Å | 1.00Å | |
| C02 | H5 | sing | 1.09Å | 1.10Å | |
| C02 | H6 | sing | 1.09Å | 1.10Å | |
| C03 | H7 | sing | 1.09Å | 1.10Å | |
| C03 | H8 | sing | 1.09Å | 1.10Å | |
| N04 | H9 | sing | 0.97Å | 1.00Å | |
| N06 | H10 | sing | 0.97Å | 1.00Å | |
| C08 | H11 | sing | 1.08Å | 1.08Å | |
| C09 | H12 | sing | 1.08Å | 1.08Å | |
| C11 | H13 | sing | 1.08Å | 1.08Å | |
| C12 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N01 | C02 | C03 | 111.4° | 109.5° |
| C02 | N01 | H2 | 109.5° | 111.1° |
| C02 | N01 | H3 | 109.5° | 111.0° |
| N01 | C02 | H5 | 109.0° | 109.4° |
| N01 | C02 | H6 | 109.0° | 109.4° |
| C02 | C03 | N04 | 108.1° | 109.5° |
| C03 | C02 | H5 | 109.0° | 109.5° |
| C03 | C02 | H6 | 109.0° | 109.5° |
| C02 | C03 | H7 | 109.8° | 109.5° |
| C02 | C03 | H8 | 109.8° | 109.5° |
| C03 | N04 | C05 | 119.6° | 120.0° |
| N04 | C03 | H7 | 109.8° | 109.4° |
| N04 | C03 | H8 | 109.8° | 109.4° |
| C03 | N04 | H9 | 120.2° | 120.0° |
| N04 | C05 | O13 | 119.3° | 120.0° |
| N04 | C05 | N06 | 119.7° | 120.0° |
| C05 | N04 | H9 | 120.2° | 120.0° |
| O13 | C05 | N06 | 121.0° | 120.0° |
| C05 | N06 | C07 | 125.8° | 120.0° |
| C05 | N06 | H10 | 117.1° | 120.0° |
| N06 | C07 | C08 | 122.8° | 120.0° |
| N06 | C07 | C12 | 118.2° | 120.1° |
| C07 | N06 | H10 | 117.1° | 120.0° |
| C07 | C08 | C09 | 120.7° | 119.9° |
| C08 | C07 | C12 | 119.0° | 119.9° |
| C07 | C08 | H11 | 119.6° | 120.0° |
| C08 | C09 | C10 | 119.6° | 120.0° |
| C09 | C08 | H11 | 119.6° | 120.1° |
| C08 | C09 | H12 | 120.2° | 119.9° |
| C07 | C12 | C11 | 120.7° | 120.0° |
| C07 | C12 | H14 | 119.7° | 120.1° |
| C09 | C10 | C11 | 120.1° | 120.2° |
| C09 | C10 | H1 | 119.9° | 119.9° |
| C10 | C09 | H12 | 120.2° | 120.0° |
| C12 | C11 | C10 | 119.7° | 120.0° |
| C12 | C11 | H13 | 120.1° | 120.0° |
| C11 | C12 | H14 | 119.6° | 120.0° |
| C11 | C10 | H1 | 119.9° | 119.9° |
| C10 | C11 | H13 | 120.1° | 120.0° |
| H2 | N01 | H3 | 109.5° | 111.0° |
| H5 | C02 | H6 | 109.5° | 109.4° |
| H7 | C03 | H8 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N01 | C02 | C03 | H5 | 120.3° | 120.0° |
| N01 | C02 | C03 | H6 | 120.3° | 120.0° |
| N01 | C02 | C03 | N04 | 149.1° | 180.0° |
| C02 | N01 | H2 | H3 | 120.0° | 124.0° |
| N01 | C02 | H5 | H6 | 119.1° | 119.9° |
| N01 | C02 | C03 | H7 | 91.1° | 60.0° |
| N01 | C02 | C03 | H8 | 29.4° | 60.0° |
| C02 | C03 | N04 | H7 | 119.8° | 120.0° |
| C02 | C03 | N04 | H8 | 119.8° | 120.0° |
| C02 | C03 | N04 | C05 | 118.2° | 180.0° |
| C03 | C02 | N01 | H2 | 180.0° | 180.0° |
| C03 | C02 | N01 | H3 | 60.0° | 56.0° |
| C03 | C02 | H5 | H6 | 119.1° | 120.0° |
| C02 | C03 | H7 | H8 | 120.6° | 120.0° |
| C02 | C03 | N04 | H9 | 61.8° | 0.0° |
| C03 | N04 | C05 | H9 | 180.0° | 180.0° |
| C03 | N04 | C05 | O13 | 0.4° | 0.0° |
| C03 | N04 | C05 | N06 | 179.8° | 180.0° |
| N04 | C03 | C02 | H5 | 28.9° | 60.0° |
| N04 | C03 | C02 | H6 | 90.6° | 60.0° |
| N04 | C03 | H7 | H8 | 120.6° | 119.9° |
| N04 | C05 | O13 | N06 | 179.8° | 180.0° |
| N04 | C05 | N06 | C07 | 178.4° | 174.7° |
| C05 | N04 | C03 | H7 | 1.6° | 60.0° |
| C05 | N04 | C03 | H8 | 122.0° | 60.0° |
| N04 | C05 | N06 | H10 | 1.6° | 5.3° |
| O13 | C05 | N06 | C07 | 1.5° | 5.2° |
| O13 | C05 | N04 | H9 | 179.6° | 180.0° |
| O13 | C05 | N06 | H10 | 178.5° | 174.7° |
| C05 | N06 | C07 | H10 | 180.0° | 179.9° |
| C05 | N06 | C07 | C08 | 44.5° | 33.6° |
| C05 | N06 | C07 | C12 | 138.1° | 146.9° |
| N06 | C05 | N04 | H9 | 0.2° | 0.0° |
| N06 | C07 | C08 | C12 | 177.4° | 179.5° |
| N06 | C07 | C08 | C09 | 178.7° | 179.8° |
| N06 | C07 | C12 | C11 | 177.2° | 180.0° |
| N06 | C07 | C08 | H11 | 1.3° | 0.0° |
| N06 | C07 | C12 | H14 | 2.9° | 0.5° |
| C07 | C08 | C09 | H11 | 180.0° | 179.7° |
| C07 | C08 | C09 | C10 | 0.8° | 0.5° |
| C08 | C07 | C12 | C11 | 0.3° | 0.6° |
| C08 | C07 | N06 | H10 | 135.5° | 146.5° |
| C07 | C08 | C09 | H12 | 179.2° | 179.5° |
| C08 | C07 | C12 | H14 | 179.6° | 180.0° |
| C09 | C08 | C07 | C12 | 1.3° | 0.8° |
| C08 | C09 | C10 | H12 | 180.0° | 180.0° |
| C08 | C09 | C10 | C11 | 1.5° | 0.0° |
| C08 | C09 | C10 | H1 | 178.6° | 179.8° |
| C07 | C12 | C11 | H14 | 180.0° | 179.4° |
| C07 | C12 | C11 | C10 | 2.5° | 0.1° |
| C12 | C07 | N06 | H10 | 41.9° | 33.0° |
| C12 | C07 | C08 | H11 | 178.7° | 179.5° |
| C07 | C12 | C11 | H13 | 177.5° | 180.0° |
| C09 | C10 | C11 | C12 | 3.1° | 0.2° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C10 | C09 | C08 | H11 | 179.2° | 179.8° |
| C09 | C10 | C11 | H13 | 176.9° | 179.7° |
| C12 | C11 | C10 | H13 | 180.0° | 179.9° |
| C12 | C11 | C10 | H1 | 176.9° | 180.0° |
| C11 | C10 | C09 | H12 | 178.6° | 180.0° |
| C10 | C11 | C12 | H14 | 177.4° | 179.5° |
| H1 | C10 | C09 | H12 | 1.4° | 0.2° |
| H1 | C10 | C11 | H13 | 3.1° | 0.1° |
| H2 | N01 | C02 | H5 | 59.7° | 59.9° |
| H2 | N01 | C02 | H6 | 59.7° | 60.0° |
| H3 | N01 | C02 | H5 | 60.3° | 64.0° |
| H3 | N01 | C02 | H6 | 179.7° | 176.0° |
| H5 | C02 | C03 | H7 | 148.6° | NaN° |
| H5 | C02 | C03 | H8 | 90.9° | 60.0° |
| H6 | C02 | C03 | H7 | 29.2° | 60.0° |
| H6 | C02 | C03 | H8 | 149.6° | 180.0° |
| H7 | C03 | N04 | H9 | 178.4° | 120.0° |
| H8 | C03 | N04 | H9 | 58.0° | 120.1° |
| H11 | C08 | C09 | H12 | 0.8° | 0.2° |
| H13 | C11 | C12 | H14 | 2.5° | 0.6° |
