7QI
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O | C15 | sing | 1.43Å | 1.42Å | |
| O | C14 | sing | 1.43Å | 1.43Å | |
| C15 | C16 | sing | 1.53Å | 1.50Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C13 | C11 | sing | 1.51Å | 1.52Å | |
| C13 | N2 | sing | 1.47Å | 1.48Å | |
| C11 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C16 | N2 | sing | 1.47Å | 1.47Å | |
| C12 | C7 | sing | 1.39Å | 1.40Å | Aromatic |
| C7 | C3 | sing | 1.48Å | 1.49Å | |
| C3 | C2 | doub | 1.40Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.39Å | Aromatic |
| C1 | C | doub | 1.39Å | 1.40Å | Aromatic |
| C5 | C | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.43Å | 1.43Å | |
| C | N | sing | 1.39Å | 1.39Å | |
| C6 | N1 | trip | 1.14Å | 1.13Å | |
| N | H1 | sing | 0.97Å | 1.00Å | |
| N | H2 | sing | 0.97Å | 1.00Å | |
| C1 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C4 | H6 | sing | 1.08Å | 1.08Å | |
| C12 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 1.01Å | 1.00Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | O | C14 | 110.6° | 113.7° |
| O | C15 | C16 | 111.9° | 109.3° |
| O | C15 | H15 | 108.9° | 109.5° |
| O | C15 | H16 | 108.9° | 109.5° |
| O | C14 | C13 | 111.4° | 109.3° |
| O | C14 | H17 | 109.0° | 109.5° |
| O | C14 | H18 | 109.0° | 109.5° |
| C15 | C16 | N2 | 109.7° | 109.3° |
| C15 | C16 | H13 | 109.4° | 109.4° |
| C15 | C16 | H14 | 109.4° | 109.5° |
| C16 | C15 | H15 | 108.9° | 109.5° |
| C16 | C15 | H16 | 108.9° | 109.5° |
| C14 | C13 | C11 | 109.8° | 109.5° |
| C14 | C13 | N2 | 107.6° | 109.2° |
| C14 | C13 | H5 | 109.1° | 109.5° |
| C13 | C14 | H17 | 109.0° | 109.5° |
| C13 | C14 | H18 | 109.0° | 109.5° |
| C9 | C10 | C11 | 120.6° | 120.3° |
| C10 | C9 | C8 | 120.1° | 120.1° |
| C9 | C10 | H8 | 119.7° | 119.9° |
| C10 | C9 | H9 | 120.0° | 119.9° |
| C10 | C11 | C13 | 120.0° | 119.9° |
| C10 | C11 | C12 | 119.2° | 120.1° |
| C11 | C10 | H8 | 119.7° | 119.9° |
| C9 | C8 | C7 | 120.7° | 119.9° |
| C8 | C9 | H9 | 120.0° | 120.0° |
| C9 | C8 | H10 | 119.6° | 120.1° |
| C11 | C13 | N2 | 111.6° | 109.5° |
| C13 | C11 | C12 | 120.8° | 120.0° |
| C11 | C13 | H5 | 109.0° | 109.5° |
| C13 | N2 | C16 | 110.2° | 110.8° |
| N2 | C13 | H5 | 109.7° | 109.5° |
| C13 | N2 | H11 | 109.3° | 111.0° |
| C11 | C12 | C7 | 120.9° | 119.9° |
| C11 | C12 | H7 | 119.6° | 120.0° |
| C8 | C7 | C12 | 118.6° | 119.7° |
| C8 | C7 | C3 | 120.3° | 120.2° |
| C7 | C8 | H10 | 119.7° | 120.0° |
| C16 | N2 | H11 | 109.3° | 111.0° |
| N2 | C16 | H13 | 109.4° | 109.5° |
| N2 | C16 | H14 | 109.4° | 109.5° |
| C12 | C7 | C3 | 121.1° | 120.1° |
| C7 | C12 | H7 | 119.5° | 120.0° |
| C7 | C3 | C2 | 122.1° | 120.0° |
| C7 | C3 | C4 | 119.8° | 120.0° |
| C2 | C3 | C4 | 118.2° | 120.1° |
| C3 | C2 | C1 | 121.2° | 120.3° |
| C3 | C2 | H4 | 119.4° | 119.8° |
| C3 | C4 | C5 | 121.1° | 119.8° |
| C3 | C4 | H6 | 119.4° | 120.1° |
| C2 | C1 | C | 121.4° | 120.2° |
| C2 | C1 | H3 | 119.3° | 119.9° |
| C1 | C2 | H4 | 119.4° | 119.9° |
| C4 | C5 | C | 121.0° | 119.7° |
| C4 | C5 | C6 | 118.9° | 120.1° |
| C5 | C4 | H6 | 119.5° | 120.1° |
| C1 | C | C5 | 117.1° | 119.9° |
| C1 | C | N | 121.7° | 120.0° |
| C | C1 | H3 | 119.3° | 119.9° |
| C | C5 | C6 | 120.0° | 120.2° |
| C5 | C | N | 121.2° | 120.0° |
| C5 | C6 | N1 | 177.1° | 180.0° |
| C | N | H1 | 109.5° | 120.0° |
| C | N | H2 | 109.4° | 120.0° |
| H1 | N | H2 | 109.5° | 119.9° |
| H13 | C16 | H14 | 109.5° | 109.5° |
| H15 | C15 | H16 | 109.4° | 109.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O | C15 | C16 | H15 | 120.4° | 120.0° |
| O | C15 | C16 | H16 | 120.4° | 119.9° |
| C15 | O | C14 | C13 | 0.4° | 58.7° |
| O | C15 | C16 | N2 | 55.8° | 56.8° |
| O | C15 | C16 | H13 | 64.3° | 63.1° |
| O | C15 | C16 | H14 | 175.8° | 176.8° |
| O | C15 | H15 | H16 | 118.9° | 120.1° |
| C15 | O | C14 | H17 | 120.7° | 61.3° |
| C15 | O | C14 | H18 | 119.8° | 178.5° |
| C14 | O | C15 | C16 | 57.5° | 58.6° |
| O | C14 | C13 | H17 | 120.3° | 120.0° |
| O | C14 | C13 | H18 | 120.3° | 119.9° |
| O | C14 | C13 | C11 | 179.5° | 176.8° |
| O | C14 | C13 | N2 | 58.9° | 56.9° |
| O | C14 | C13 | H5 | 60.0° | 63.0° |
| C14 | O | C15 | H15 | 177.8° | 178.6° |
| C14 | O | C15 | H16 | 62.9° | 61.3° |
| O | C14 | H17 | H18 | 119.1° | 120.1° |
| C15 | C16 | N2 | C13 | 4.7° | 58.6° |
| C15 | C16 | N2 | H13 | 120.0° | 119.9° |
| C15 | C16 | N2 | H14 | 120.0° | 120.0° |
| C15 | C16 | N2 | H11 | 124.8° | 177.6° |
| C15 | C16 | H13 | H14 | 119.9° | 120.1° |
| C16 | C15 | H15 | H16 | 118.9° | 120.1° |
| C14 | C13 | C11 | C10 | 121.7° | 79.7° |
| C14 | C13 | C11 | N2 | 119.2° | 119.7° |
| C14 | C13 | C11 | H5 | 119.5° | 120.2° |
| C14 | C13 | N2 | H5 | 118.6° | 120.0° |
| C14 | C13 | C11 | C12 | 57.8° | 100.3° |
| C14 | C13 | N2 | C16 | 59.3° | 58.6° |
| C14 | C13 | N2 | H11 | 179.5° | 177.7° |
| C13 | C14 | H17 | H18 | 119.1° | 120.0° |
| C9 | C10 | C11 | H8 | 180.0° | 179.7° |
| C10 | C9 | C8 | H9 | 180.0° | 179.8° |
| C9 | C10 | C11 | C13 | 179.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.5° | 0.0° |
| C10 | C9 | C8 | C7 | 0.2° | 0.5° |
| C10 | C9 | C8 | H10 | 179.8° | 180.0° |
| C11 | C10 | C9 | C8 | 0.7° | 0.2° |
| C10 | C11 | C13 | C12 | 179.5° | 180.0° |
| C10 | C11 | C13 | N2 | 119.1° | 40.0° |
| C10 | C11 | C12 | C7 | 0.7° | 0.0° |
| C10 | C11 | C13 | H5 | 2.2° | 160.1° |
| C10 | C11 | C12 | H7 | 179.3° | 180.0° |
| C11 | C10 | C9 | H9 | 179.3° | 180.0° |
| C9 | C8 | C7 | H10 | 180.0° | 179.5° |
| C9 | C8 | C7 | C12 | 1.3° | 0.5° |
| C9 | C8 | C7 | C3 | 176.4° | 179.7° |
| C8 | C9 | C10 | H8 | 179.3° | 179.9° |
| C11 | C13 | N2 | H5 | 120.9° | 120.1° |
| C11 | C13 | N2 | C16 | 179.9° | 178.5° |
| C13 | C11 | C12 | C7 | 179.8° | 180.0° |
| C13 | C11 | C12 | H7 | 0.2° | 0.0° |
| C13 | C11 | C10 | H8 | 1.0° | 0.3° |
| C11 | C13 | N2 | H11 | 60.0° | 57.7° |
| C11 | C13 | C14 | H17 | 59.2° | 56.8° |
| C11 | C13 | C14 | H18 | 60.3° | 63.3° |
| N2 | C13 | C11 | C12 | 61.4° | 140.0° |
| C13 | N2 | C16 | H11 | 120.1° | 123.8° |
| C13 | N2 | C16 | H13 | 124.7° | 61.3° |
| C13 | N2 | C16 | H14 | 115.3° | 178.6° |
| N2 | C13 | C14 | H17 | 179.2° | 63.1° |
| N2 | C13 | C14 | H18 | 61.4° | 176.8° |
| C11 | C12 | C7 | C8 | 1.6° | 0.3° |
| C11 | C12 | C7 | H7 | 180.0° | 180.0° |
| C11 | C12 | C7 | C3 | 176.1° | 180.0° |
| C12 | C11 | C13 | H5 | 177.3° | 19.9° |
| C12 | C11 | C10 | H8 | 179.5° | 179.7° |
| C8 | C7 | C12 | C3 | 177.7° | 179.7° |
| C8 | C7 | C3 | C2 | 147.5° | 179.7° |
| C8 | C7 | C3 | C4 | 31.2° | 0.0° |
| C8 | C7 | C12 | H7 | 178.5° | 179.8° |
| C7 | C8 | C9 | H9 | 179.8° | 179.7° |
| C16 | N2 | C13 | H5 | 59.2° | 61.3° |
| N2 | C16 | H13 | H14 | 119.9° | 120.1° |
| N2 | C16 | C15 | H15 | 176.1° | 176.8° |
| N2 | C16 | C15 | H16 | 64.6° | 63.1° |
| C12 | C7 | C3 | C2 | 34.9° | 0.0° |
| C12 | C7 | C3 | C4 | 146.4° | 179.7° |
| C12 | C7 | C8 | H10 | 178.7° | 180.0° |
| C7 | C3 | C2 | C4 | 178.7° | 179.7° |
| C7 | C3 | C2 | C1 | 178.8° | 180.0° |
| C7 | C3 | C4 | C5 | 179.8° | 180.0° |
| C7 | C3 | C2 | H4 | 1.2° | 0.0° |
| C7 | C3 | C4 | H6 | 0.2° | 0.0° |
| C3 | C7 | C12 | H7 | 3.9° | 0.0° |
| C3 | C7 | C8 | H10 | 3.6° | 0.2° |
| C3 | C2 | C1 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 1.0° | 0.3° |
| C3 | C2 | C1 | C | 0.6° | 0.1° |
| C3 | C2 | C1 | H3 | 179.4° | 180.0° |
| C2 | C3 | C4 | H6 | 179.0° | 179.7° |
| C4 | C3 | C2 | C1 | 0.1° | 0.3° |
| C3 | C4 | C5 | H6 | 180.0° | 180.0° |
| C3 | C4 | C5 | C | 1.3° | 0.0° |
| C3 | C4 | C5 | C6 | 175.6° | 180.0° |
| C4 | C3 | C2 | H4 | 179.9° | 179.7° |
| C2 | C1 | C | H3 | 180.0° | 179.9° |
| C2 | C1 | C | C5 | 0.3° | 0.2° |
| C2 | C1 | C | N | 178.0° | 180.0° |
| C4 | C5 | C | C1 | 0.6° | 0.2° |
| C4 | C5 | C | C6 | 176.9° | 180.0° |
| C4 | C5 | C | N | 179.0° | 180.0° |
| C4 | C5 | C6 | N1 | 14.1° | 91.8° |
| C1 | C | C5 | N | 178.4° | 179.8° |
| C1 | C | C5 | C6 | 176.3° | 179.8° |
| C1 | C | N | H1 | 180.0° | 0.1° |
| C1 | C | N | H2 | 60.0° | 180.0° |
| C | C1 | C2 | H4 | 179.4° | 180.0° |
| C | C5 | C6 | N1 | 169.0° | 88.2° |
| C5 | C | N | H1 | 1.7° | 179.7° |
| C5 | C | N | H2 | 121.8° | 0.2° |
| C5 | C | C1 | H3 | 179.6° | 179.7° |
| C | C5 | C4 | H6 | 178.7° | 179.9° |
| C6 | C5 | C | N | 2.1° | 0.0° |
| C6 | C5 | C4 | H6 | 4.4° | 0.0° |
| C | N | H1 | H2 | 120.0° | 179.9° |
| N | C | C1 | H3 | 2.0° | 0.1° |
| H3 | C1 | C2 | H4 | 0.6° | 0.1° |
| H5 | C13 | N2 | H11 | 60.9° | 62.4° |
| H5 | C13 | C14 | H17 | 60.3° | 177.0° |
| H5 | C13 | C14 | H18 | 179.7° | 56.9° |
| H8 | C10 | C9 | H9 | 0.7° | 0.2° |
| H9 | C9 | C8 | H10 | 0.2° | 0.2° |
| H11 | N2 | C16 | H13 | 115.2° | 62.5° |
| H11 | N2 | C16 | H14 | 4.8° | 57.6° |
| H13 | C16 | C15 | H15 | 56.1° | 56.8° |
| H13 | C16 | C15 | H16 | 175.4° | 176.9° |
| H14 | C16 | C15 | H15 | 63.8° | 63.2° |
| H14 | C16 | C15 | H16 | 55.4° | 56.9° |
