5YH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O09 | C08 | doub | 1.22Å | 1.23Å | |
| N07 | C08 | sing | 1.34Å | 1.42Å | |
| N07 | C06 | sing | 1.47Å | 1.44Å | |
| C08 | N04 | sing | 1.34Å | 1.43Å | |
| C06 | C05 | sing | 1.54Å | 1.56Å | |
| N04 | C05 | sing | 1.47Å | 1.44Å | |
| N04 | C03 | sing | 1.47Å | 1.43Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | O01 | sing | 1.43Å | 1.45Å | |
| C02 | C10 | sing | 1.53Å | 1.61Å | |
| C10 | N11 | sing | 1.46Å | 1.48Å | |
| N11 | C12 | sing | 1.38Å | 1.40Å | Aromatic |
| N11 | C20 | sing | 1.39Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | C14 | sing | 1.38Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.43Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C18 | sing | 1.40Å | 1.44Å | Aromatic |
| C20 | C19 | doub | 1.40Å | 1.44Å | Aromatic |
| C14 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | C19 | sing | 1.47Å | 1.45Å | Aromatic |
| C18 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C19 | C24 | sing | 1.39Å | 1.41Å | Aromatic |
| C15 | C17 | sing | 1.38Å | 1.38Å | Aromatic |
| C15 | F16 | sing | 1.35Å | 1.38Å | |
| C23 | C24 | doub | 1.38Å | 1.37Å | Aromatic |
| C23 | F25 | sing | 1.35Å | 1.37Å | |
| C10 | H1 | sing | 1.09Å | 1.10Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C17 | H4 | sing | 1.08Å | 1.08Å | |
| C21 | H5 | sing | 1.08Å | 1.08Å | |
| C22 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.08Å | 1.08Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C05 | H11 | sing | 1.09Å | 1.10Å | |
| C05 | H12 | sing | 1.09Å | 1.10Å | |
| C06 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| O01 | H15 | sing | 0.97Å | 0.95Å | |
| C06 | H16 | sing | 1.09Å | 1.10Å | |
| N07 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O09 | C08 | N07 | 124.4° | 123.1° |
| O09 | C08 | N04 | 125.3° | 123.0° |
| C08 | N07 | C06 | 109.7° | 109.1° |
| N07 | C08 | N04 | 110.4° | 113.8° |
| C08 | N07 | H17 | 125.1° | 125.4° |
| N07 | C06 | C05 | 105.1° | 103.9° |
| N07 | C06 | H13 | 110.6° | 110.5° |
| N07 | C06 | H16 | 110.5° | 110.6° |
| C06 | N07 | H17 | 125.1° | 125.5° |
| C08 | N04 | C05 | 108.6° | 109.2° |
| C08 | N04 | C03 | 127.6° | 125.4° |
| C06 | C05 | N04 | 106.2° | 104.0° |
| C06 | C05 | H11 | 110.3° | 110.6° |
| C06 | C05 | H12 | 110.3° | 110.6° |
| C05 | C06 | H13 | 110.6° | 110.5° |
| C05 | C06 | H16 | 110.6° | 110.6° |
| C05 | N04 | C03 | 123.8° | 125.4° |
| N04 | C05 | H11 | 110.3° | 110.5° |
| N04 | C05 | H12 | 110.3° | 110.5° |
| N04 | C03 | C02 | 112.1° | 109.5° |
| N04 | C03 | H9 | 108.8° | 109.4° |
| N04 | C03 | H10 | 108.8° | 109.5° |
| C03 | C02 | O01 | 106.0° | 109.5° |
| C03 | C02 | C10 | 112.5° | 109.5° |
| C03 | C02 | H8 | 109.0° | 109.5° |
| C02 | C03 | H9 | 108.8° | 109.5° |
| C02 | C03 | H10 | 108.8° | 109.5° |
| O01 | C02 | C10 | 110.4° | 109.4° |
| O01 | C02 | H8 | 110.5° | 109.5° |
| C02 | O01 | H15 | 109.5° | 114.0° |
| C02 | C10 | N11 | 107.7° | 109.5° |
| C02 | C10 | H1 | 109.9° | 109.4° |
| C02 | C10 | H2 | 109.9° | 109.5° |
| C10 | C02 | H8 | 108.4° | 109.5° |
| C10 | N11 | C12 | 124.9° | 124.9° |
| C10 | N11 | C20 | 125.3° | 124.8° |
| N11 | C10 | H1 | 109.9° | 109.4° |
| N11 | C10 | H2 | 109.9° | 109.5° |
| C12 | N11 | C20 | 109.8° | 110.2° |
| N11 | C12 | C13 | 130.9° | 132.3° |
| N11 | C12 | C18 | 108.4° | 108.4° |
| N11 | C20 | C21 | 131.1° | 132.3° |
| N11 | C20 | C19 | 107.7° | 108.3° |
| C12 | C13 | C14 | 120.1° | 120.0° |
| C13 | C12 | C18 | 120.7° | 119.4° |
| C12 | C13 | H3 | 119.9° | 120.0° |
| C13 | C14 | C15 | 116.2° | 120.6° |
| C14 | C13 | H3 | 120.0° | 120.0° |
| C13 | C14 | H14 | 121.9° | 119.7° |
| C20 | C21 | C22 | 118.3° | 120.1° |
| C21 | C20 | C19 | 121.2° | 119.3° |
| C20 | C21 | H5 | 120.8° | 119.9° |
| C21 | C22 | C23 | 117.6° | 120.5° |
| C22 | C21 | H5 | 120.9° | 119.9° |
| C21 | C22 | H6 | 121.2° | 119.7° |
| C12 | C18 | C19 | 106.7° | 106.5° |
| C12 | C18 | C17 | 119.1° | 120.1° |
| C20 | C19 | C18 | 107.4° | 106.5° |
| C20 | C19 | C24 | 120.0° | 120.1° |
| C14 | C15 | C17 | 126.3° | 120.2° |
| C14 | C15 | F16 | 117.4° | 119.9° |
| C15 | C14 | H14 | 121.9° | 119.8° |
| C22 | C23 | C24 | 127.0° | 120.1° |
| C22 | C23 | F25 | 118.5° | 119.9° |
| C23 | C22 | H6 | 121.2° | 119.7° |
| C19 | C18 | C17 | 134.2° | 133.4° |
| C18 | C19 | C24 | 132.6° | 133.4° |
| C18 | C17 | C15 | 117.5° | 119.8° |
| C18 | C17 | H4 | 121.3° | 120.1° |
| C19 | C24 | C23 | 115.8° | 119.8° |
| C19 | C24 | H7 | 122.1° | 120.1° |
| C17 | C15 | F16 | 116.1° | 120.0° |
| C15 | C17 | H4 | 121.2° | 120.1° |
| C24 | C23 | F25 | 114.4° | 119.9° |
| C23 | C24 | H7 | 122.1° | 120.1° |
| H1 | C10 | H2 | 109.5° | 109.4° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H11 | C05 | H12 | 109.5° | 110.5° |
| H13 | C06 | H16 | 109.5° | 110.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O09 | C08 | N07 | N04 | 179.7° | 179.9° |
| O09 | C08 | N07 | C06 | 179.5° | 180.0° |
| O09 | C08 | N04 | C05 | 179.9° | 179.9° |
| O09 | C08 | N04 | C03 | 0.6° | 0.1° |
| O09 | C08 | N07 | H17 | 0.5° | 0.1° |
| C08 | N07 | C06 | H17 | 180.0° | 179.9° |
| C08 | N07 | C06 | C05 | 1.1° | 0.1° |
| N07 | C08 | N04 | C05 | 0.2° | 0.1° |
| N07 | C08 | N04 | C03 | 179.1° | 180.0° |
| C08 | N07 | C06 | H13 | 120.4° | 118.5° |
| C08 | N07 | C06 | H16 | 118.2° | 118.8° |
| C06 | N07 | C08 | N04 | 0.8° | 0.1° |
| N07 | C06 | C05 | H13 | 119.3° | 118.6° |
| N07 | C06 | C05 | H16 | 119.3° | 118.7° |
| N07 | C06 | C05 | N04 | 0.9° | 0.1° |
| N07 | C06 | C05 | H11 | 118.6° | 118.5° |
| N07 | C06 | C05 | H12 | 120.4° | 118.7° |
| N07 | C06 | H13 | H16 | 122.0° | 122.8° |
| C08 | N04 | C05 | C06 | 0.5° | 0.0° |
| C08 | N04 | C05 | C03 | 179.3° | 180.0° |
| C08 | N04 | C03 | C02 | 114.4° | 90.0° |
| C08 | N04 | C03 | H9 | 6.0° | 30.0° |
| C08 | N04 | C03 | H10 | 125.2° | 150.0° |
| C08 | N04 | C05 | H11 | 119.0° | 118.6° |
| C08 | N04 | C05 | H12 | 119.9° | 118.7° |
| N04 | C08 | N07 | H17 | 179.1° | 180.0° |
| C06 | C05 | N04 | H11 | 119.5° | 118.7° |
| C06 | C05 | N04 | H12 | 119.5° | 118.7° |
| C06 | C05 | N04 | C03 | 179.8° | 180.0° |
| C06 | C05 | H11 | H12 | 121.5° | 122.8° |
| C05 | C06 | H13 | H16 | 122.0° | 122.7° |
| C05 | C06 | N07 | H17 | 178.9° | 180.0° |
| C05 | N04 | C03 | C02 | 66.4° | 90.0° |
| C05 | N04 | C03 | H9 | 173.2° | 150.0° |
| C05 | N04 | C03 | H10 | 54.0° | 30.0° |
| N04 | C05 | H11 | H12 | 121.5° | 122.7° |
| N04 | C05 | C06 | H13 | 120.2° | 118.5° |
| N04 | C05 | C06 | H16 | 118.4° | 118.8° |
| N04 | C03 | C02 | H9 | 120.4° | 120.0° |
| N04 | C03 | C02 | H10 | 120.4° | 120.0° |
| N04 | C03 | C02 | O01 | 89.3° | 60.0° |
| N04 | C03 | C02 | C10 | 149.9° | 180.0° |
| N04 | C03 | C02 | H8 | 29.6° | 60.0° |
| N04 | C03 | H9 | H10 | 118.8° | 120.0° |
| C03 | N04 | C05 | H11 | 60.3° | 61.4° |
| C03 | N04 | C05 | H12 | 60.7° | 61.3° |
| C03 | C02 | O01 | C10 | 122.1° | 120.0° |
| C03 | C02 | O01 | H8 | 118.0° | 120.0° |
| C03 | C02 | C10 | H8 | 120.6° | 120.0° |
| C03 | C02 | C10 | N11 | 177.5° | 175.0° |
| C03 | C02 | C10 | H1 | 57.8° | 55.0° |
| C03 | C02 | C10 | H2 | 62.7° | 65.0° |
| C02 | C03 | H9 | H10 | 118.8° | 120.0° |
| C03 | C02 | O01 | H15 | 180.0° | 60.0° |
| O01 | C02 | C10 | H8 | 121.2° | 120.0° |
| O01 | C02 | C10 | N11 | 64.3° | 65.0° |
| O01 | C02 | C10 | H1 | 176.0° | 175.0° |
| O01 | C02 | C10 | H2 | 55.4° | 55.0° |
| O01 | C02 | C03 | H9 | 150.3° | 60.0° |
| O01 | C02 | C03 | H10 | 31.1° | 180.0° |
| C02 | C10 | N11 | H1 | 119.7° | 120.0° |
| C02 | C10 | N11 | H2 | 119.7° | 120.1° |
| C02 | C10 | N11 | C12 | 74.3° | 89.9° |
| C02 | C10 | N11 | C20 | 103.5° | 89.9° |
| C02 | C10 | H1 | H2 | 120.8° | 120.0° |
| C10 | C02 | C03 | H9 | 29.5° | 60.0° |
| C10 | C02 | C03 | H10 | 89.7° | 60.0° |
| C10 | C02 | O01 | H15 | 57.9° | 60.0° |
| C10 | N11 | C12 | C20 | 178.1° | 179.9° |
| C10 | N11 | C12 | C13 | 1.2° | 0.1° |
| C10 | N11 | C20 | C21 | 1.4° | 0.1° |
| C10 | N11 | C12 | C18 | 179.1° | 179.9° |
| C10 | N11 | C20 | C19 | 179.2° | 179.9° |
| N11 | C10 | H1 | H2 | 120.8° | 120.0° |
| N11 | C10 | C02 | H8 | 56.9° | 55.0° |
| N11 | C12 | C13 | C18 | 179.6° | 180.0° |
| N11 | C12 | C13 | C14 | 179.2° | 180.0° |
| C12 | N11 | C20 | C21 | 179.4° | 180.0° |
| C12 | N11 | C20 | C19 | 1.1° | 0.1° |
| N11 | C12 | C18 | C19 | 0.6° | 0.0° |
| N11 | C12 | C18 | C17 | 177.7° | 180.0° |
| C12 | N11 | C10 | H1 | 45.4° | 30.0° |
| C12 | N11 | C10 | H2 | 166.0° | 150.0° |
| N11 | C12 | C13 | H3 | 0.8° | 0.3° |
| C20 | N11 | C12 | C13 | 179.3° | 180.0° |
| N11 | C20 | C21 | C19 | 179.4° | 180.0° |
| N11 | C20 | C21 | C22 | 179.2° | 179.9° |
| C20 | N11 | C12 | C18 | 1.0° | 0.1° |
| N11 | C20 | C19 | C18 | 0.7° | 0.0° |
| N11 | C20 | C19 | C24 | 179.2° | 180.0° |
| C20 | N11 | C10 | H1 | 136.8° | 150.1° |
| C20 | N11 | C10 | H2 | 16.2° | 30.1° |
| N11 | C20 | C21 | H5 | 0.8° | 0.0° |
| C12 | C13 | C14 | H3 | 180.0° | 179.7° |
| C12 | C13 | C14 | C15 | 0.9° | 0.0° |
| C13 | C12 | C18 | C19 | 179.7° | 180.0° |
| C13 | C12 | C18 | C17 | 2.6° | 0.0° |
| C12 | C13 | C14 | H14 | 179.1° | 180.0° |
| C14 | C13 | C12 | C18 | 1.2° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C17 | 2.4° | 0.0° |
| C13 | C14 | C15 | F16 | 176.6° | 180.0° |
| C20 | C21 | C22 | H5 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.2° | 0.0° |
| C21 | C20 | C19 | C18 | 179.8° | 180.0° |
| C21 | C20 | C19 | C24 | 0.3° | 0.0° |
| C20 | C21 | C22 | H6 | 179.8° | 180.0° |
| C22 | C21 | C20 | C19 | 0.2° | 0.0° |
| C21 | C22 | C23 | H6 | 180.0° | 180.0° |
| C21 | C22 | C23 | C24 | 0.3° | 0.0° |
| C21 | C22 | C23 | F25 | 179.9° | 180.0° |
| C12 | C18 | C19 | C20 | 0.1° | 0.0° |
| C12 | C18 | C19 | C17 | 176.5° | 180.0° |
| C12 | C18 | C19 | C24 | 179.8° | 180.0° |
| C12 | C18 | C17 | C15 | 3.8° | 0.0° |
| C18 | C12 | C13 | H3 | 178.8° | 179.7° |
| C12 | C18 | C17 | H4 | 176.2° | 180.0° |
| C20 | C19 | C18 | C24 | 179.9° | 180.0° |
| C20 | C19 | C18 | C17 | 176.4° | 180.0° |
| C20 | C19 | C24 | C23 | 0.4° | 0.0° |
| C19 | C20 | C21 | H5 | 179.8° | 179.9° |
| C20 | C19 | C24 | H7 | 179.6° | 180.0° |
| C14 | C15 | C17 | C18 | 3.8° | 0.0° |
| C14 | C15 | C17 | F16 | 174.3° | 180.0° |
| C15 | C14 | C13 | H3 | 179.1° | 179.7° |
| C14 | C15 | C17 | H4 | 176.2° | 180.0° |
| C22 | C23 | C24 | C19 | 0.4° | 0.0° |
| C22 | C23 | C24 | F25 | 179.7° | 180.0° |
| C23 | C22 | C21 | H5 | 179.8° | 180.0° |
| C22 | C23 | C24 | H7 | 179.6° | 180.0° |
| C19 | C18 | C17 | C15 | 179.9° | 180.0° |
| C18 | C19 | C24 | C23 | 179.7° | 180.0° |
| C19 | C18 | C17 | H4 | 0.1° | 0.0° |
| C18 | C19 | C24 | H7 | 0.3° | 0.0° |
| C17 | C18 | C19 | C24 | 3.8° | 0.0° |
| C18 | C17 | C15 | H4 | 180.0° | 180.0° |
| C18 | C17 | C15 | F16 | 178.1° | 180.0° |
| C19 | C24 | C23 | H7 | 180.0° | 180.0° |
| C19 | C24 | C23 | F25 | 179.8° | 180.0° |
| C17 | C15 | C14 | H14 | 177.6° | 180.0° |
| F16 | C15 | C17 | H4 | 1.9° | 0.0° |
| F16 | C15 | C14 | H14 | 3.4° | 0.0° |
| C24 | C23 | C22 | H6 | 179.6° | 180.0° |
| F25 | C23 | C22 | H6 | 0.1° | 0.0° |
| F25 | C23 | C24 | H7 | 0.2° | 0.0° |
| H1 | C10 | C02 | H8 | 62.8° | 65.0° |
| H2 | C10 | C02 | H8 | 176.6° | 175.0° |
| H3 | C13 | C14 | H14 | 0.9° | 0.3° |
| H5 | C21 | C22 | H6 | 0.2° | 0.0° |
| H8 | C02 | C03 | H9 | 90.7° | NaN° |
| H8 | C02 | C03 | H10 | 150.0° | 60.0° |
| H8 | C02 | O01 | H15 | 62.0° | 180.0° |
| H11 | C05 | C06 | H13 | 0.7° | 122.9° |
| H11 | C05 | C06 | H16 | 122.1° | 0.2° |
| H12 | C05 | C06 | H13 | 120.3° | 0.1° |
| H12 | C05 | C06 | H16 | 1.1° | 122.6° |
| H13 | C06 | N07 | H17 | 59.6° | 61.4° |
| H16 | C06 | N07 | H17 | 61.8° | 61.3° |
