6QL
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O13 | sing | 1.43Å | 1.42Å | |
| O13 | C12 | sing | 1.36Å | 1.42Å | |
| C25 | O24 | sing | 1.43Å | 1.42Å | |
| O24 | C23 | sing | 1.36Å | 1.43Å | |
| C12 | N15 | doub | 1.33Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| N15 | C06 | sing | 1.32Å | 1.30Å | Aromatic |
| O31 | C02 | doub | 1.22Å | 1.27Å | |
| C11 | C08 | doub | 1.39Å | 1.39Å | Aromatic |
| C23 | C26 | doub | 1.39Å | 1.42Å | Aromatic |
| C23 | N22 | sing | 1.33Å | 1.37Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| C06 | O05 | sing | 1.35Å | 1.42Å | |
| C06 | N07 | doub | 1.32Å | 1.33Å | Aromatic |
| C02 | O01 | sing | 1.35Å | 1.23Å | |
| C02 | C03 | sing | 1.47Å | 1.57Å | |
| O05 | C04 | sing | 1.36Å | 1.44Å | |
| N22 | C21 | doub | 1.32Å | 1.32Å | Aromatic |
| C08 | N07 | sing | 1.33Å | 1.38Å | Aromatic |
| C08 | O09 | sing | 1.36Å | 1.40Å | |
| C27 | O28 | sing | 1.36Å | 1.41Å | |
| C27 | N30 | doub | 1.33Å | 1.37Å | Aromatic |
| O28 | C29 | sing | 1.43Å | 1.41Å | |
| C04 | C03 | doub | 1.40Å | 1.42Å | Aromatic |
| C04 | C16 | sing | 1.39Å | 1.41Å | Aromatic |
| C03 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | O09 | sing | 1.43Å | 1.44Å | |
| C21 | N30 | sing | 1.32Å | 1.32Å | Aromatic |
| C21 | O20 | sing | 1.35Å | 1.43Å | |
| C16 | C17 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | O20 | sing | 1.36Å | 1.46Å | |
| C19 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.38Å | 1.39Å | Aromatic |
| O01 | H1 | sing | 0.97Å | 0.95Å | |
| C10 | H2 | sing | 1.09Å | 1.10Å | |
| C10 | H3 | sing | 1.09Å | 1.10Å | |
| C10 | H4 | sing | 1.09Å | 1.10Å | |
| C11 | H5 | sing | 1.08Å | 1.08Å | |
| C14 | H6 | sing | 1.09Å | 1.10Å | |
| C14 | H7 | sing | 1.09Å | 1.10Å | |
| C14 | H8 | sing | 1.09Å | 1.10Å | |
| C16 | H9 | sing | 1.08Å | 1.08Å | |
| C17 | H10 | sing | 1.08Å | 1.08Å | |
| C18 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.09Å | 1.10Å | |
| C25 | H13 | sing | 1.09Å | 1.10Å | |
| C25 | H14 | sing | 1.09Å | 1.10Å | |
| C26 | H15 | sing | 1.08Å | 1.08Å | |
| C29 | H16 | sing | 1.09Å | 1.10Å | |
| C29 | H17 | sing | 1.09Å | 1.10Å | |
| C29 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | O13 | C12 | 113.4° | 117.0° |
| O13 | C14 | H6 | 109.5° | 109.5° |
| O13 | C14 | H7 | 109.5° | 109.5° |
| O13 | C14 | H8 | 109.5° | 109.5° |
| O13 | C12 | N15 | 119.7° | 120.4° |
| O13 | C12 | C11 | 121.2° | 120.4° |
| C25 | O24 | C23 | 114.2° | 117.0° |
| O24 | C25 | H12 | 109.5° | 109.5° |
| O24 | C25 | H13 | 109.5° | 109.5° |
| O24 | C25 | H14 | 109.5° | 109.5° |
| O24 | C23 | C26 | 121.3° | 120.5° |
| O24 | C23 | N22 | 120.7° | 120.4° |
| N15 | C12 | C11 | 119.1° | 119.2° |
| C12 | N15 | C06 | 119.9° | 120.8° |
| C12 | C11 | C08 | 118.8° | 118.4° |
| C12 | C11 | H5 | 120.6° | 120.8° |
| N15 | C06 | O05 | 115.8° | 119.2° |
| N15 | C06 | N07 | 123.3° | 121.7° |
| O31 | C02 | O01 | 120.4° | 120.0° |
| O31 | C02 | C03 | 119.7° | 120.0° |
| C11 | C08 | N07 | 118.1° | 119.1° |
| C11 | C08 | O09 | 120.6° | 120.4° |
| C08 | C11 | H5 | 120.6° | 120.8° |
| C26 | C23 | N22 | 118.0° | 119.1° |
| C23 | C26 | C27 | 118.6° | 118.4° |
| C23 | C26 | H15 | 120.7° | 120.8° |
| C23 | N22 | C21 | 121.3° | 120.8° |
| C26 | C27 | O28 | 121.0° | 120.4° |
| C26 | C27 | N30 | 118.9° | 119.1° |
| C27 | C26 | H15 | 120.7° | 120.8° |
| O05 | C06 | N07 | 121.0° | 119.1° |
| C06 | O05 | C04 | 116.9° | 118.0° |
| C06 | N07 | C08 | 120.9° | 120.8° |
| O01 | C02 | C03 | 120.0° | 120.1° |
| C02 | O01 | H1 | 109.5° | 117.0° |
| C02 | C03 | C04 | 121.4° | 120.3° |
| C02 | C03 | C19 | 118.6° | 120.2° |
| O05 | C04 | C03 | 122.2° | 120.1° |
| O05 | C04 | C16 | 118.4° | 120.1° |
| N22 | C21 | N30 | 122.6° | 121.7° |
| N22 | C21 | O20 | 119.5° | 119.1° |
| N07 | C08 | O09 | 121.3° | 120.4° |
| C08 | O09 | C10 | 114.4° | 117.0° |
| O28 | C27 | N30 | 120.1° | 120.5° |
| C27 | O28 | C29 | 113.7° | 117.0° |
| C27 | N30 | C21 | 120.7° | 120.8° |
| O28 | C29 | H16 | 109.5° | 109.5° |
| O28 | C29 | H17 | 109.4° | 109.5° |
| O28 | C29 | H18 | 109.5° | 109.4° |
| C03 | C04 | C16 | 119.3° | 119.8° |
| C04 | C03 | C19 | 120.0° | 119.5° |
| C04 | C16 | C17 | 120.7° | 120.2° |
| C04 | C16 | H9 | 119.7° | 119.9° |
| C03 | C19 | O20 | 119.8° | 120.1° |
| C03 | C19 | C18 | 120.2° | 119.8° |
| O09 | C10 | H2 | 109.5° | 109.5° |
| O09 | C10 | H3 | 109.4° | 109.4° |
| O09 | C10 | H4 | 109.5° | 109.5° |
| N30 | C21 | O20 | 117.9° | 119.2° |
| C21 | O20 | C19 | 111.3° | 118.0° |
| C16 | C17 | C18 | 120.0° | 120.5° |
| C17 | C16 | H9 | 119.7° | 119.9° |
| C16 | C17 | H10 | 120.0° | 119.8° |
| O20 | C19 | C18 | 120.0° | 120.1° |
| C19 | C18 | C17 | 119.8° | 120.2° |
| C19 | C18 | H11 | 120.1° | 119.9° |
| C18 | C17 | H10 | 120.0° | 119.8° |
| C17 | C18 | H11 | 120.1° | 119.9° |
| H2 | C10 | H3 | 109.4° | 109.5° |
| H2 | C10 | H4 | 109.4° | 109.5° |
| H3 | C10 | H4 | 109.5° | 109.5° |
| H6 | C14 | H7 | 109.4° | 109.4° |
| H6 | C14 | H8 | 109.5° | 109.5° |
| H7 | C14 | H8 | 109.5° | 109.5° |
| H12 | C25 | H13 | 109.5° | 109.4° |
| H12 | C25 | H14 | 109.5° | 109.5° |
| H13 | C25 | H14 | 109.5° | 109.5° |
| H16 | C29 | H17 | 109.5° | 109.4° |
| H16 | C29 | H18 | 109.5° | 109.5° |
| H17 | C29 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | O13 | C12 | N15 | 7.6° | 0.0° |
| C14 | O13 | C12 | C11 | 172.7° | 179.4° |
| O13 | C14 | H6 | H7 | 120.0° | 119.9° |
| O13 | C14 | H6 | H8 | 120.0° | 120.1° |
| O13 | C14 | H7 | H8 | 120.0° | 120.0° |
| O13 | C12 | N15 | C11 | 179.7° | 179.4° |
| O13 | C12 | N15 | C06 | 179.6° | 180.0° |
| O13 | C12 | C11 | C08 | 179.9° | 179.7° |
| O13 | C12 | C11 | H5 | 0.1° | 0.4° |
| C12 | O13 | C14 | H6 | 180.0° | 60.1° |
| C12 | O13 | C14 | H7 | 60.0° | 180.0° |
| C12 | O13 | C14 | H8 | 60.0° | 60.0° |
| C25 | O24 | C23 | C26 | 19.7° | 180.0° |
| C25 | O24 | C23 | N22 | 160.5° | 0.0° |
| O24 | C25 | H12 | H13 | 120.0° | 120.0° |
| O24 | C25 | H12 | H14 | 120.0° | 120.0° |
| O24 | C25 | H13 | H14 | 120.0° | 120.0° |
| O24 | C23 | C26 | N22 | 179.9° | 180.0° |
| O24 | C23 | C26 | C27 | 179.9° | 180.0° |
| O24 | C23 | N22 | C21 | 179.9° | 179.9° |
| C23 | O24 | C25 | H12 | 180.0° | 60.0° |
| C23 | O24 | C25 | H13 | 60.0° | 180.0° |
| C23 | O24 | C25 | H14 | 60.0° | 60.0° |
| O24 | C23 | C26 | H15 | 0.1° | 0.0° |
| N15 | C12 | C11 | C08 | 0.4° | 0.3° |
| C12 | N15 | C06 | O05 | 179.6° | 179.7° |
| C12 | N15 | C06 | N07 | 0.4° | 0.5° |
| N15 | C12 | C11 | H5 | 179.6° | 179.8° |
| C11 | C12 | N15 | C06 | 0.1° | 0.6° |
| C12 | C11 | C08 | H5 | 180.0° | 179.9° |
| C12 | C11 | C08 | N07 | 0.6° | 0.0° |
| C12 | C11 | C08 | O09 | 179.7° | 180.0° |
| N15 | C06 | O05 | N07 | 179.2° | 179.7° |
| N15 | C06 | O05 | C04 | 162.5° | 5.0° |
| N15 | C06 | N07 | C08 | 0.2° | 0.2° |
| O31 | C02 | O01 | C03 | 179.7° | 180.0° |
| O31 | C02 | C03 | C04 | 64.7° | 89.7° |
| O31 | C02 | C03 | C19 | 115.5° | 90.0° |
| O31 | C02 | O01 | H1 | 0.0° | 0.0° |
| C11 | C08 | N07 | C06 | 0.3° | 0.1° |
| C11 | C08 | N07 | O09 | 179.1° | 179.9° |
| C11 | C08 | O09 | C10 | 33.8° | 180.0° |
| C23 | C26 | C27 | H15 | 180.0° | 179.9° |
| C26 | C23 | N22 | C21 | 0.0° | 0.1° |
| C23 | C26 | C27 | O28 | 179.9° | 180.0° |
| C23 | C26 | C27 | N30 | 0.1° | 0.0° |
| N22 | C23 | C26 | C27 | 0.0° | 0.1° |
| C23 | N22 | C21 | N30 | 0.1° | 0.1° |
| C23 | N22 | C21 | O20 | 179.9° | 179.8° |
| N22 | C23 | C26 | H15 | 180.0° | 180.0° |
| C26 | C27 | O28 | N30 | 179.8° | 179.9° |
| C26 | C27 | O28 | C29 | 177.3° | 180.0° |
| C26 | C27 | N30 | C21 | 0.2° | 0.0° |
| O05 | C06 | N07 | C08 | 179.4° | 179.9° |
| C06 | O05 | C04 | C03 | 57.7° | 81.0° |
| C06 | O05 | C04 | C16 | 124.1° | 99.0° |
| N07 | C06 | O05 | C04 | 16.7° | 174.7° |
| C06 | N07 | C08 | O09 | 179.4° | 180.0° |
| O01 | C02 | C03 | C04 | 115.1° | 90.2° |
| O01 | C02 | C03 | C19 | 64.8° | 90.0° |
| C02 | C03 | C04 | O05 | 1.3° | 0.0° |
| C02 | C03 | C04 | C19 | 179.9° | 179.8° |
| C02 | C03 | C04 | C16 | 179.4° | 180.0° |
| C02 | C03 | C19 | O20 | 0.5° | 0.0° |
| C02 | C03 | C19 | C18 | 180.0° | 179.7° |
| C03 | C02 | O01 | H1 | 179.8° | 180.0° |
| O05 | C04 | C03 | C16 | 178.2° | 180.0° |
| O05 | C04 | C03 | C19 | 178.9° | 179.8° |
| O05 | C04 | C16 | C17 | 179.1° | 180.0° |
| O05 | C04 | C16 | H9 | 0.9° | 0.0° |
| N22 | C21 | N30 | C27 | 0.2° | 0.1° |
| N22 | C21 | N30 | O20 | 179.8° | 179.8° |
| N22 | C21 | O20 | C19 | 23.2° | 4.8° |
| N07 | C08 | O09 | C10 | 147.1° | 0.1° |
| N07 | C08 | C11 | H5 | 179.4° | 179.9° |
| C08 | O09 | C10 | H2 | 180.0° | 180.0° |
| C08 | O09 | C10 | H3 | 60.0° | 60.0° |
| C08 | O09 | C10 | H4 | 60.0° | 59.9° |
| O09 | C08 | C11 | H5 | 0.3° | 0.0° |
| O28 | C27 | N30 | C21 | 180.0° | 180.0° |
| O28 | C27 | C26 | H15 | 0.1° | 0.1° |
| C27 | O28 | C29 | H16 | 180.0° | 180.0° |
| C27 | O28 | C29 | H17 | 60.0° | 60.0° |
| C27 | O28 | C29 | H18 | 60.0° | 60.0° |
| N30 | C27 | O28 | C29 | 2.9° | 0.0° |
| C27 | N30 | C21 | O20 | 180.0° | 179.8° |
| N30 | C27 | C26 | H15 | 179.9° | 180.0° |
| O28 | C29 | H16 | H17 | 120.0° | 120.0° |
| O28 | C29 | H16 | H18 | 120.0° | 120.0° |
| O28 | C29 | H17 | H18 | 120.0° | 120.0° |
| C03 | C04 | C16 | C17 | 0.8° | 0.0° |
| C04 | C03 | C19 | O20 | 179.4° | 179.8° |
| C04 | C03 | C19 | C18 | 0.1° | 0.5° |
| C03 | C04 | C16 | H9 | 179.2° | 180.0° |
| C16 | C04 | C03 | C19 | 0.7° | 0.2° |
| C04 | C16 | C17 | H9 | 180.0° | 179.9° |
| C04 | C16 | C17 | C18 | 0.4° | 0.0° |
| C04 | C16 | C17 | H10 | 179.6° | 180.0° |
| C03 | C19 | O20 | C21 | 86.1° | 85.8° |
| C03 | C19 | O20 | C18 | 179.5° | 179.7° |
| C03 | C19 | C18 | C17 | 0.3° | 0.5° |
| C03 | C19 | C18 | H11 | 179.7° | 179.7° |
| O09 | C10 | H2 | H3 | 120.0° | 120.0° |
| O09 | C10 | H2 | H4 | 120.0° | 120.0° |
| O09 | C10 | H3 | H4 | 120.0° | 119.9° |
| N30 | C21 | O20 | C19 | 157.1° | 175.0° |
| C21 | O20 | C19 | C18 | 94.3° | 93.9° |
| C16 | C17 | C18 | C19 | 0.2° | 0.3° |
| C16 | C17 | C18 | H10 | 180.0° | 180.0° |
| C16 | C17 | C18 | H11 | 179.8° | 180.0° |
| O20 | C19 | C18 | C17 | 179.8° | 179.8° |
| O20 | C19 | C18 | H11 | 0.1° | 0.0° |
| C19 | C18 | C17 | H11 | 180.0° | 179.8° |
| C19 | C18 | C17 | H10 | 179.8° | 179.7° |
| C18 | C17 | C16 | H9 | 179.6° | 180.0° |
| H2 | C10 | H3 | H4 | 120.0° | 120.0° |
| H6 | C14 | H7 | H8 | 120.0° | 120.1° |
| H9 | C16 | C17 | H10 | 0.4° | 0.1° |
| H10 | C17 | C18 | H11 | 0.2° | 0.0° |
| H12 | C25 | H13 | H14 | 120.0° | 120.0° |
| H16 | C29 | H17 | H18 | 120.0° | 120.0° |
