1YG
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C10 | sing | 1.53Å | 1.53Å | |
| C8 | C5 | sing | 1.51Å | 1.53Å | |
| C8 | C12 | sing | 1.53Å | 1.53Å | |
| C5 | C7 | doub | 1.34Å | 1.39Å | Aromatic |
| C5 | O2 | sing | 1.35Å | 1.38Å | Aromatic |
| C7 | N4 | sing | 1.34Å | 1.37Å | Aromatic |
| O2 | C1 | sing | 1.34Å | 1.37Å | Aromatic |
| N4 | C1 | doub | 1.30Å | 1.33Å | Aromatic |
| C1 | C3 | sing | 1.51Å | 1.48Å | |
| C3 | S6 | sing | 1.81Å | 1.80Å | |
| S6 | C9 | sing | 1.76Å | 1.76Å | |
| C22 | C19 | sing | 1.53Å | 1.53Å | |
| O20 | C18 | doub | 1.21Å | 1.23Å | |
| C9 | S13 | sing | 1.76Å | 1.75Å | Aromatic |
| C9 | C14 | doub | 1.34Å | 1.36Å | Aromatic |
| S13 | C15 | sing | 1.76Å | 1.74Å | Aromatic |
| C14 | N16 | sing | 1.32Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.51Å | 1.53Å | |
| C18 | N17 | sing | 1.35Å | 1.37Å | |
| C15 | N16 | doub | 1.30Å | 1.30Å | Aromatic |
| C15 | N17 | sing | 1.39Å | 1.38Å | |
| C19 | C21 | sing | 1.51Å | 1.52Å | |
| C24 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C23 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.09Å | 1.10Å | |
| C11 | H6 | sing | 1.09Å | 1.10Å | |
| C11 | H7 | sing | 1.09Å | 1.10Å | |
| C12 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C12 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.08Å | 1.08Å | |
| C3 | H12 | sing | 1.09Å | 1.10Å | |
| C3 | H13 | sing | 1.09Å | 1.10Å | |
| N17 | H14 | sing | 0.97Å | 1.00Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C22 | H16 | sing | 1.09Å | 1.10Å | |
| C22 | H17 | sing | 1.09Å | 1.10Å | |
| C22 | H18 | sing | 1.09Å | 1.10Å | |
| C24 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C25 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C11 | C8 | C10 | 108.7° | 109.5° |
| C11 | C8 | C5 | 109.7° | 109.4° |
| C11 | C8 | C12 | 109.3° | 109.5° |
| C8 | C11 | H5 | 109.5° | 109.5° |
| C8 | C11 | H6 | 109.5° | 109.5° |
| C8 | C11 | H7 | 109.4° | 109.4° |
| C10 | C8 | C5 | 110.6° | 109.4° |
| C10 | C8 | C12 | 108.5° | 109.5° |
| C8 | C10 | H2 | 109.5° | 109.5° |
| C8 | C10 | H3 | 109.5° | 109.4° |
| C8 | C10 | H4 | 109.5° | 109.5° |
| C5 | C8 | C12 | 110.0° | 109.5° |
| C8 | C5 | C7 | 131.8° | 126.5° |
| C8 | C5 | O2 | 121.1° | 126.5° |
| C8 | C12 | H8 | 109.5° | 109.5° |
| C8 | C12 | H9 | 109.5° | 109.4° |
| C8 | C12 | H10 | 109.4° | 109.5° |
| C7 | C5 | O2 | 107.0° | 107.0° |
| C5 | C7 | N4 | 109.7° | 107.7° |
| C5 | C7 | H1 | 125.2° | 126.1° |
| C5 | O2 | C1 | 105.0° | 107.8° |
| C7 | N4 | C1 | 105.0° | 108.7° |
| N4 | C7 | H1 | 125.1° | 126.2° |
| O2 | C1 | N4 | 113.2° | 108.8° |
| O2 | C1 | C3 | 119.6° | 125.6° |
| N4 | C1 | C3 | 127.0° | 125.6° |
| C1 | C3 | S6 | 106.2° | 109.5° |
| C1 | C3 | H12 | 110.3° | 109.5° |
| C1 | C3 | H13 | 110.3° | 109.5° |
| C3 | S6 | C9 | 100.3° | 103.0° |
| S6 | C3 | H12 | 110.3° | 109.5° |
| S6 | C3 | H13 | 110.3° | 109.4° |
| S6 | C9 | S13 | 117.9° | 125.9° |
| S6 | C9 | C14 | 132.8° | 125.9° |
| C22 | C19 | C18 | 109.7° | 109.5° |
| C22 | C19 | C21 | 113.9° | 109.5° |
| C22 | C19 | H15 | 108.2° | 109.4° |
| C19 | C22 | H16 | 109.5° | 109.5° |
| C19 | C22 | H17 | 109.5° | 109.5° |
| C19 | C22 | H18 | 109.5° | 109.4° |
| O20 | C18 | C19 | 121.8° | 120.0° |
| O20 | C18 | N17 | 123.5° | 120.0° |
| S13 | C9 | C14 | 109.2° | 108.2° |
| C9 | S13 | C15 | 88.2° | 89.9° |
| C9 | C14 | N16 | 117.0° | 115.6° |
| C9 | C14 | H11 | 121.5° | 122.2° |
| S13 | C15 | N16 | 115.9° | 109.2° |
| S13 | C15 | N17 | 124.3° | 125.4° |
| C14 | N16 | C15 | 109.7° | 117.1° |
| N16 | C14 | H11 | 121.5° | 122.2° |
| C19 | C18 | N17 | 114.7° | 120.0° |
| C18 | C19 | C21 | 108.5° | 109.4° |
| C18 | C19 | H15 | 108.2° | 109.5° |
| C18 | N17 | C15 | 126.0° | 120.0° |
| C18 | N17 | H14 | 117.0° | 120.0° |
| N16 | C15 | N17 | 119.4° | 125.4° |
| C15 | N17 | H14 | 117.0° | 120.1° |
| C19 | C21 | C24 | 121.8° | 120.0° |
| C19 | C21 | C23 | 119.6° | 119.9° |
| C21 | C19 | H15 | 108.2° | 109.6° |
| C21 | C24 | C26 | 120.7° | 120.0° |
| C24 | C21 | C23 | 118.5° | 120.0° |
| C21 | C24 | H19 | 119.6° | 120.0° |
| C24 | C26 | C27 | 120.1° | 120.0° |
| C26 | C24 | H19 | 119.6° | 120.0° |
| C24 | C26 | H20 | 119.9° | 120.0° |
| C21 | C23 | C25 | 120.7° | 119.9° |
| C21 | C23 | H23 | 119.7° | 120.0° |
| C26 | C27 | C25 | 119.7° | 120.0° |
| C27 | C26 | H20 | 120.0° | 120.0° |
| C26 | C27 | H21 | 120.2° | 120.0° |
| C23 | C25 | C27 | 120.2° | 120.0° |
| C23 | C25 | H22 | 119.9° | 119.9° |
| C25 | C23 | H23 | 119.6° | 120.1° |
| C25 | C27 | H21 | 120.2° | 120.0° |
| C27 | C25 | H22 | 119.9° | 120.0° |
| H2 | C10 | H3 | 109.5° | 109.5° |
| H2 | C10 | H4 | 109.4° | 109.4° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H5 | C11 | H6 | 109.5° | 109.5° |
| H5 | C11 | H7 | 109.5° | 109.4° |
| H6 | C11 | H7 | 109.5° | 109.5° |
| H8 | C12 | H9 | 109.5° | 109.5° |
| H8 | C12 | H10 | 109.5° | 109.5° |
| H9 | C12 | H10 | 109.5° | 109.4° |
| H12 | C3 | H13 | 109.4° | 109.4° |
| H16 | C22 | H17 | 109.5° | 109.5° |
| H16 | C22 | H18 | 109.4° | 109.5° |
| H17 | C22 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C11 | C8 | C10 | C5 | 120.5° | 120.0° |
| C11 | C8 | C10 | C12 | 118.8° | 120.1° |
| C11 | C8 | C5 | C12 | 120.3° | 120.0° |
| C11 | C8 | C5 | C7 | 107.2° | 180.0° |
| C11 | C8 | C5 | O2 | 75.7° | 0.3° |
| C11 | C8 | C10 | H2 | 180.0° | 60.0° |
| C11 | C8 | C10 | H3 | 60.0° | 60.1° |
| C11 | C8 | C10 | H4 | 60.0° | 180.0° |
| C8 | C11 | H5 | H6 | 120.0° | 120.0° |
| C8 | C11 | H5 | H7 | 120.0° | 119.9° |
| C8 | C11 | H6 | H7 | 120.0° | 120.0° |
| C11 | C8 | C12 | H8 | 180.0° | 60.0° |
| C11 | C8 | C12 | H9 | 60.0° | 60.0° |
| C11 | C8 | C12 | H10 | 60.0° | 179.9° |
| C10 | C8 | C5 | C12 | 119.8° | 120.0° |
| C10 | C8 | C5 | C7 | 12.7° | 60.0° |
| C10 | C8 | C5 | O2 | 164.4° | 119.7° |
| C8 | C10 | H2 | H3 | 120.0° | 120.0° |
| C8 | C10 | H2 | H4 | 120.0° | 120.0° |
| C8 | C10 | H3 | H4 | 120.0° | 120.0° |
| C10 | C8 | C11 | H5 | 180.0° | 59.9° |
| C10 | C8 | C11 | H6 | 60.0° | 180.0° |
| C10 | C8 | C11 | H7 | 60.0° | 60.0° |
| C10 | C8 | C12 | H8 | 61.6° | 60.1° |
| C10 | C8 | C12 | H9 | 178.4° | 180.0° |
| C10 | C8 | C12 | H10 | 58.4° | 60.0° |
| C8 | C5 | C7 | O2 | 177.4° | 179.7° |
| C8 | C5 | C7 | N4 | 176.5° | 179.7° |
| C8 | C5 | O2 | C1 | 176.6° | 179.7° |
| C8 | C5 | C7 | H1 | 3.5° | 0.3° |
| C5 | C8 | C10 | H2 | 59.4° | 60.0° |
| C5 | C8 | C10 | H3 | 179.5° | 180.0° |
| C5 | C8 | C10 | H4 | 60.5° | 60.0° |
| C5 | C8 | C11 | H5 | 58.9° | 60.0° |
| C5 | C8 | C11 | H6 | 61.1° | 60.0° |
| C5 | C8 | C11 | H7 | 178.9° | 180.0° |
| C5 | C8 | C12 | H8 | 59.5° | 180.0° |
| C5 | C8 | C12 | H9 | 60.5° | 60.0° |
| C5 | C8 | C12 | H10 | 179.5° | 59.9° |
| C12 | C8 | C5 | C7 | 132.5° | 60.0° |
| C12 | C8 | C5 | O2 | 44.6° | 120.4° |
| C12 | C8 | C10 | H2 | 61.3° | 179.9° |
| C12 | C8 | C10 | H3 | 58.8° | 60.0° |
| C12 | C8 | C10 | H4 | 178.8° | 60.0° |
| C12 | C8 | C11 | H5 | 61.8° | 180.0° |
| C12 | C8 | C11 | H6 | 178.2° | 60.0° |
| C12 | C8 | C11 | H7 | 58.2° | 60.0° |
| C8 | C12 | H8 | H9 | 120.0° | 120.0° |
| C8 | C12 | H8 | H10 | 120.0° | 120.1° |
| C8 | C12 | H9 | H10 | 120.0° | 120.0° |
| C5 | C7 | N4 | H1 | 180.0° | 180.0° |
| C7 | C5 | O2 | C1 | 1.2° | 0.0° |
| C5 | C7 | N4 | C1 | 0.3° | 0.0° |
| O2 | C5 | C7 | N4 | 1.0° | 0.0° |
| C5 | O2 | C1 | N4 | 1.1° | 0.0° |
| C5 | O2 | C1 | C3 | 174.4° | 180.0° |
| O2 | C5 | C7 | H1 | 179.1° | 180.0° |
| C7 | N4 | C1 | O2 | 0.5° | 0.0° |
| C7 | N4 | C1 | C3 | 174.6° | 180.0° |
| O2 | C1 | N4 | C3 | 175.1° | 180.0° |
| O2 | C1 | C3 | S6 | 105.0° | 90.0° |
| O2 | C1 | C3 | H12 | 135.4° | 30.0° |
| O2 | C1 | C3 | H13 | 14.5° | 150.0° |
| N4 | C1 | C3 | S6 | 69.8° | 90.0° |
| C1 | N4 | C7 | H1 | 179.7° | 180.0° |
| N4 | C1 | C3 | H12 | 49.8° | 149.9° |
| N4 | C1 | C3 | H13 | 170.7° | 30.0° |
| C1 | C3 | S6 | H12 | 119.5° | 120.1° |
| C1 | C3 | S6 | H13 | 119.5° | 120.0° |
| C1 | C3 | S6 | C9 | 100.8° | 180.0° |
| C1 | C3 | H12 | H13 | 121.5° | 120.0° |
| C3 | S6 | C9 | S13 | 78.5° | 0.1° |
| C3 | S6 | C9 | C14 | 106.4° | 179.7° |
| S6 | C3 | H12 | H13 | 121.5° | 119.9° |
| S6 | C9 | S13 | C14 | 176.2° | 179.7° |
| S6 | C9 | S13 | C15 | 175.9° | 179.7° |
| S6 | C9 | C14 | N16 | 173.9° | 179.7° |
| S6 | C9 | C14 | H11 | 6.2° | 0.2° |
| C9 | S6 | C3 | H12 | 139.7° | 59.9° |
| C9 | S6 | C3 | H13 | 18.7° | 60.0° |
| C22 | C19 | C18 | O20 | 49.7° | 120.0° |
| C22 | C19 | C18 | C21 | 125.0° | 120.0° |
| C22 | C19 | C18 | H15 | 117.8° | 119.9° |
| C22 | C19 | C18 | N17 | 127.7° | 60.0° |
| C22 | C19 | C21 | H15 | 120.3° | 120.0° |
| C22 | C19 | C21 | C24 | 39.5° | 60.3° |
| C22 | C19 | C21 | C23 | 138.3° | 120.0° |
| C19 | C22 | H16 | H17 | 120.0° | 120.1° |
| C19 | C22 | H16 | H18 | 120.0° | 120.0° |
| C19 | C22 | H17 | H18 | 120.0° | 120.0° |
| O20 | C18 | C19 | N17 | 177.4° | 180.0° |
| O20 | C18 | N17 | C15 | 0.2° | 0.0° |
| O20 | C18 | C19 | C21 | 75.3° | 0.1° |
| O20 | C18 | N17 | H14 | 179.8° | 179.9° |
| O20 | C18 | C19 | H15 | 167.5° | 120.0° |
| S13 | C9 | C14 | N16 | 1.6° | 0.0° |
| C9 | S13 | C15 | N16 | 1.0° | 0.0° |
| C9 | S13 | C15 | N17 | 171.8° | 180.0° |
| S13 | C9 | C14 | H11 | 178.4° | 179.9° |
| C14 | C9 | S13 | C15 | 0.4° | 0.0° |
| C9 | C14 | N16 | H11 | 180.0° | 179.9° |
| C9 | C14 | N16 | C15 | 2.3° | 0.0° |
| S13 | C15 | N16 | C14 | 1.9° | 0.0° |
| S13 | C15 | N17 | C18 | 5.6° | 180.0° |
| S13 | C15 | N16 | N17 | 173.1° | 180.0° |
| S13 | C15 | N17 | H14 | 174.4° | 0.1° |
| C14 | N16 | C15 | N17 | 171.2° | 180.0° |
| C19 | C18 | N17 | C15 | 177.6° | 180.0° |
| C18 | C19 | C21 | H15 | 117.2° | 120.0° |
| C18 | C19 | C21 | C24 | 83.0° | 59.7° |
| C18 | C19 | C21 | C23 | 99.2° | 120.0° |
| C19 | C18 | N17 | H14 | 2.4° | 0.1° |
| C18 | C19 | C22 | H16 | 180.0° | 180.0° |
| C18 | C19 | C22 | H17 | 60.0° | 60.0° |
| C18 | C19 | C22 | H18 | 60.0° | 60.0° |
| C18 | N17 | C15 | N16 | 166.9° | 0.0° |
| C18 | N17 | C15 | H14 | 180.0° | 179.9° |
| N17 | C18 | C19 | C21 | 107.3° | 180.0° |
| N17 | C18 | C19 | H15 | 9.9° | 60.0° |
| C15 | N16 | C14 | H11 | 177.7° | 179.9° |
| N16 | C15 | N17 | H14 | 13.1° | 179.9° |
| C19 | C21 | C24 | C23 | 177.9° | 179.7° |
| C19 | C21 | C24 | C26 | 175.7° | 180.0° |
| C19 | C21 | C23 | C25 | 176.2° | 179.8° |
| C21 | C19 | C22 | H16 | 58.2° | 60.0° |
| C21 | C19 | C22 | H17 | 178.2° | 179.9° |
| C21 | C19 | C22 | H18 | 61.8° | 60.0° |
| C19 | C21 | C24 | H19 | 4.4° | 0.0° |
| C19 | C21 | C23 | H23 | 3.8° | 0.1° |
| C21 | C24 | C26 | H19 | 180.0° | 180.0° |
| C21 | C24 | C26 | C27 | 0.9° | 0.0° |
| C24 | C21 | C23 | C25 | 1.7° | 0.4° |
| C24 | C21 | C19 | H15 | 159.9° | 179.7° |
| C21 | C24 | C26 | H20 | 179.1° | 179.9° |
| C24 | C21 | C23 | H23 | 178.3° | 179.7° |
| C26 | C24 | C21 | C23 | 2.2° | 0.2° |
| C24 | C26 | C27 | H20 | 180.0° | 179.9° |
| C24 | C26 | C27 | C25 | 1.0° | 0.1° |
| C24 | C26 | C27 | H21 | 179.0° | 179.9° |
| C21 | C23 | C25 | H23 | 180.0° | 179.9° |
| C21 | C23 | C25 | C27 | 0.1° | 0.4° |
| C23 | C21 | C19 | H15 | 18.0° | 0.0° |
| C23 | C21 | C24 | H19 | 177.8° | 179.8° |
| C21 | C23 | C25 | H22 | 179.9° | 179.7° |
| C26 | C27 | C25 | C23 | 1.5° | 0.1° |
| C26 | C27 | C25 | H21 | 180.0° | 179.9° |
| C27 | C26 | C24 | H19 | 179.1° | 179.9° |
| C26 | C27 | C25 | H22 | 178.5° | 180.0° |
| C23 | C25 | C27 | H22 | 180.0° | 179.9° |
| C23 | C25 | C27 | H21 | 178.5° | 179.9° |
| C25 | C27 | C26 | H20 | 179.0° | 180.0° |
| C27 | C25 | C23 | H23 | 179.9° | 179.7° |
| H2 | C10 | H3 | H4 | 120.0° | 120.0° |
| H5 | C11 | H6 | H7 | 120.0° | 120.0° |
| H8 | C12 | H9 | H10 | 120.0° | 120.0° |
| H15 | C19 | C22 | H16 | 62.2° | 60.1° |
| H15 | C19 | C22 | H17 | 57.9° | 60.0° |
| H15 | C19 | C22 | H18 | 177.9° | 179.9° |
| H16 | C22 | H17 | H18 | 120.0° | 120.0° |
| H19 | C24 | C26 | H20 | 0.9° | 0.1° |
| H20 | C26 | C27 | H21 | 1.0° | 0.1° |
| H21 | C27 | C25 | H22 | 1.5° | 0.0° |
| H22 | C25 | C23 | H23 | 0.1° | 0.2° |
