8QE
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N24 | C15 | trip | 1.14Å | 1.17Å | |
| C15 | C11 | sing | 1.43Å | 1.27Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| N16 | C17 | sing | 1.47Å | 1.45Å | |
| N16 | C13 | sing | 1.38Å | 1.37Å | |
| C11 | C13 | doub | 1.40Å | 1.49Å | Aromatic |
| C11 | C9 | sing | 1.41Å | 1.46Å | Aromatic |
| N14 | C9 | sing | 1.39Å | 1.47Å | |
| C18 | C17 | sing | 1.53Å | 1.50Å | |
| C17 | C20 | sing | 1.53Å | 1.52Å | |
| C13 | N12 | sing | 1.32Å | 1.32Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| N12 | C8 | doub | 1.33Å | 1.35Å | Aromatic |
| C10 | C8 | sing | 1.39Å | 1.38Å | Aromatic |
| C8 | N7 | sing | 1.39Å | 1.39Å | |
| N7 | C4 | sing | 1.39Å | 1.41Å | |
| C6 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C4 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C5 | C1 | doub | 1.40Å | 1.39Å | Aromatic |
| C2 | C3 | doub | 1.38Å | 1.38Å | Aromatic |
| C1 | C3 | sing | 1.40Å | 1.38Å | Aromatic |
| C1 | C21 | sing | 1.48Å | 1.50Å | |
| N23 | C21 | sing | 1.35Å | 1.41Å | |
| C21 | O22 | doub | 1.22Å | 1.22Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| N14 | H3 | sing | 0.97Å | 1.00Å | |
| N14 | H4 | sing | 0.97Å | 1.00Å | |
| C10 | H5 | sing | 1.08Å | 1.08Å | |
| N16 | H6 | sing | 0.97Å | 1.00Å | |
| C20 | H7 | sing | 1.09Å | 1.10Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C19 | H10 | sing | 1.09Å | 1.10Å | |
| C19 | H11 | sing | 1.09Å | 1.10Å | |
| C19 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C18 | H15 | sing | 1.09Å | 1.10Å | |
| N7 | H16 | sing | 0.97Å | 1.00Å | |
| C3 | H17 | sing | 1.08Å | 1.08Å | |
| C5 | H18 | sing | 1.08Å | 1.08Å | |
| N23 | H19 | sing | 0.97Å | 1.00Å | |
| N23 | H20 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N24 | C15 | C11 | 176.3° | 180.0° |
| C15 | C11 | C13 | 123.0° | 120.6° |
| C15 | C11 | C9 | 119.8° | 120.6° |
| C19 | C17 | N16 | 100.1° | 109.5° |
| C19 | C17 | C18 | 111.3° | 109.5° |
| C19 | C17 | C20 | 110.9° | 109.5° |
| C17 | C19 | H10 | 109.5° | 109.5° |
| C17 | C19 | H11 | 109.5° | 109.5° |
| C17 | C19 | H12 | 109.5° | 109.5° |
| C17 | N16 | C13 | 121.8° | 120.0° |
| N16 | C17 | C18 | 114.0° | 109.5° |
| N16 | C17 | C20 | 108.3° | 109.5° |
| C17 | N16 | H6 | 106.3° | 120.0° |
| N16 | C13 | C11 | 116.4° | 119.8° |
| N16 | C13 | N12 | 124.2° | 119.7° |
| C13 | N16 | H6 | 106.3° | 120.0° |
| C13 | C11 | C9 | 117.0° | 118.9° |
| C11 | C13 | N12 | 119.4° | 120.4° |
| C11 | C9 | N14 | 121.4° | 120.9° |
| C11 | C9 | C10 | 118.3° | 118.2° |
| N14 | C9 | C10 | 120.3° | 120.9° |
| C9 | N14 | H3 | 109.5° | 120.1° |
| C9 | N14 | H4 | 109.4° | 120.0° |
| C18 | C17 | C20 | 111.7° | 109.5° |
| C17 | C18 | H13 | 109.5° | 109.5° |
| C17 | C18 | H14 | 109.5° | 109.5° |
| C17 | C18 | H15 | 109.5° | 109.5° |
| C17 | C20 | H7 | 109.5° | 109.4° |
| C17 | C20 | H8 | 109.5° | 109.5° |
| C17 | C20 | H9 | 109.4° | 109.4° |
| C13 | N12 | C8 | 122.1° | 121.9° |
| C9 | C10 | C8 | 120.8° | 119.4° |
| C9 | C10 | H5 | 119.6° | 120.3° |
| N12 | C8 | C10 | 122.4° | 121.2° |
| N12 | C8 | N7 | 124.2° | 119.4° |
| C10 | C8 | N7 | 113.4° | 119.4° |
| C8 | C10 | H5 | 119.6° | 120.3° |
| C8 | N7 | C4 | 122.3° | 120.0° |
| C8 | N7 | H16 | 118.8° | 120.0° |
| N7 | C4 | C6 | 125.2° | 119.9° |
| N7 | C4 | C2 | 115.2° | 119.9° |
| C4 | N7 | H16 | 118.9° | 120.0° |
| C4 | C6 | C5 | 120.0° | 120.0° |
| C6 | C4 | C2 | 119.6° | 120.2° |
| C4 | C6 | H2 | 120.0° | 120.0° |
| C6 | C5 | C1 | 120.1° | 119.9° |
| C5 | C6 | H2 | 120.0° | 119.9° |
| C6 | C5 | H18 | 119.9° | 120.0° |
| C4 | C2 | C3 | 120.8° | 120.0° |
| C4 | C2 | H1 | 119.6° | 119.9° |
| C5 | C1 | C3 | 120.0° | 119.9° |
| C5 | C1 | C21 | 120.4° | 120.1° |
| C1 | C5 | H18 | 119.9° | 120.0° |
| C2 | C3 | C1 | 119.5° | 119.9° |
| C3 | C2 | H1 | 119.6° | 120.0° |
| C2 | C3 | H17 | 120.3° | 120.0° |
| C3 | C1 | C21 | 119.6° | 120.0° |
| C1 | C3 | H17 | 120.2° | 120.1° |
| C1 | C21 | N23 | 117.6° | 120.0° |
| C1 | C21 | O22 | 121.4° | 120.0° |
| N23 | C21 | O22 | 121.0° | 120.0° |
| C21 | N23 | H19 | 120.0° | 120.0° |
| C21 | N23 | H20 | 120.0° | 120.0° |
| H3 | N14 | H4 | 109.5° | 120.0° |
| H7 | C20 | H8 | 109.5° | 109.5° |
| H7 | C20 | H9 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.4° |
| H10 | C19 | H11 | 109.5° | 109.5° |
| H10 | C19 | H12 | 109.5° | 109.4° |
| H11 | C19 | H12 | 109.4° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.5° |
| H13 | C18 | H15 | 109.5° | 109.4° |
| H14 | C18 | H15 | 109.4° | 109.4° |
| H19 | N23 | H20 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N24 | C15 | C11 | C13 | 132.1° | 143.2° |
| N24 | C15 | C11 | C9 | 42.3° | 36.6° |
| C15 | C11 | C13 | N16 | 5.1° | 0.3° |
| C15 | C11 | C13 | C9 | 174.5° | 179.8° |
| C15 | C11 | C9 | N14 | 4.4° | 0.2° |
| C15 | C11 | C13 | N12 | 177.0° | 180.0° |
| C15 | C11 | C9 | C10 | 176.6° | 180.0° |
| C19 | C17 | N16 | C18 | 118.9° | 120.0° |
| C19 | C17 | N16 | C20 | 116.1° | 120.0° |
| C19 | C17 | N16 | C13 | 169.6° | 180.0° |
| C19 | C17 | C18 | C20 | 124.5° | 120.0° |
| C19 | C17 | N16 | H6 | 68.7° | 0.0° |
| C19 | C17 | C20 | H7 | 180.0° | 60.0° |
| C19 | C17 | C20 | H8 | 60.0° | 60.0° |
| C19 | C17 | C20 | H9 | 60.0° | 180.0° |
| C17 | C19 | H10 | H11 | 120.0° | 120.0° |
| C17 | C19 | H10 | H12 | 120.0° | 120.0° |
| C17 | C19 | H11 | H12 | 120.0° | 120.0° |
| C19 | C17 | C18 | H13 | 180.0° | 180.0° |
| C19 | C17 | C18 | H14 | 60.0° | 60.0° |
| C19 | C17 | C18 | H15 | 60.0° | 60.0° |
| C17 | N16 | C13 | H6 | 121.7° | 180.0° |
| C17 | N16 | C13 | C11 | 166.1° | 180.0° |
| N16 | C17 | C18 | C20 | 123.2° | 120.0° |
| C17 | N16 | C13 | N12 | 11.6° | 0.3° |
| N16 | C17 | C20 | H7 | 71.1° | 60.0° |
| N16 | C17 | C20 | H8 | 168.9° | 180.0° |
| N16 | C17 | C20 | H9 | 48.9° | 60.0° |
| N16 | C17 | C19 | H10 | 180.0° | 60.0° |
| N16 | C17 | C19 | H11 | 60.0° | 180.0° |
| N16 | C17 | C19 | H12 | 60.0° | 60.0° |
| N16 | C17 | C18 | H13 | 67.6° | 60.0° |
| N16 | C17 | C18 | H14 | 52.3° | 180.0° |
| N16 | C17 | C18 | H15 | 172.3° | 60.0° |
| N16 | C13 | C11 | N12 | 177.8° | 179.7° |
| N16 | C13 | C11 | C9 | 179.7° | 179.9° |
| C13 | N16 | C17 | C18 | 50.7° | 60.0° |
| C13 | N16 | C17 | C20 | 74.3° | 60.0° |
| N16 | C13 | N12 | C8 | 179.8° | 179.7° |
| C13 | C11 | C9 | N14 | 179.1° | 180.0° |
| C13 | C11 | C9 | C10 | 1.8° | 0.2° |
| C11 | C13 | N12 | C8 | 2.6° | 0.0° |
| C11 | C13 | N16 | H6 | 72.1° | 0.0° |
| C11 | C9 | N14 | C10 | 179.1° | 179.8° |
| C9 | C11 | C13 | N12 | 2.5° | 0.2° |
| C11 | C9 | C10 | C8 | 1.3° | 0.1° |
| C11 | C9 | N14 | H3 | 180.0° | 0.0° |
| C11 | C9 | N14 | H4 | 60.0° | 180.0° |
| C11 | C9 | C10 | H5 | 178.7° | 180.0° |
| N14 | C9 | C10 | C8 | 179.6° | 179.7° |
| C9 | N14 | H3 | H4 | 120.0° | 180.0° |
| N14 | C9 | C10 | H5 | 0.4° | 0.2° |
| C18 | C17 | N16 | H6 | 172.4° | 120.0° |
| C18 | C17 | C20 | H7 | 55.3° | 180.0° |
| C18 | C17 | C20 | H8 | 64.7° | 60.0° |
| C18 | C17 | C20 | H9 | 175.3° | 60.0° |
| C18 | C17 | C19 | H10 | 59.1° | 60.0° |
| C18 | C17 | C19 | H11 | 60.9° | 60.0° |
| C18 | C17 | C19 | H12 | 179.2° | 180.0° |
| C17 | C18 | H13 | H14 | 120.0° | 120.0° |
| C17 | C18 | H13 | H15 | 120.0° | 120.1° |
| C17 | C18 | H14 | H15 | 120.0° | 120.0° |
| C20 | C17 | N16 | H6 | 47.4° | 120.0° |
| C17 | C20 | H7 | H8 | 120.0° | 120.0° |
| C17 | C20 | H7 | H9 | 120.0° | 120.0° |
| C17 | C20 | H8 | H9 | 120.0° | 119.9° |
| C20 | C17 | C19 | H10 | 65.8° | 180.0° |
| C20 | C17 | C19 | H11 | 174.2° | 60.0° |
| C20 | C17 | C19 | H12 | 54.2° | 60.0° |
| C20 | C17 | C18 | H13 | 55.5° | 60.0° |
| C20 | C17 | C18 | H14 | 175.5° | 60.0° |
| C20 | C17 | C18 | H15 | 64.5° | 180.0° |
| C13 | N12 | C8 | C10 | 2.0° | 0.3° |
| C13 | N12 | C8 | N7 | 179.8° | 180.0° |
| N12 | C13 | N16 | H6 | 110.2° | 179.7° |
| C9 | C10 | C8 | N12 | 1.3° | 0.3° |
| C9 | C10 | C8 | H5 | 180.0° | 179.9° |
| C9 | C10 | C8 | N7 | 179.7° | 180.0° |
| C10 | C9 | N14 | H3 | 0.9° | 179.8° |
| C10 | C9 | N14 | H4 | 121.0° | 0.3° |
| N12 | C8 | C10 | N7 | 178.3° | 179.7° |
| N12 | C8 | N7 | C4 | 10.8° | 172.3° |
| N12 | C8 | C10 | H5 | 178.7° | 179.8° |
| N12 | C8 | N7 | H16 | 169.1° | 7.7° |
| C10 | C8 | N7 | C4 | 170.9° | 8.0° |
| C10 | C8 | N7 | H16 | 9.2° | 172.0° |
| C8 | N7 | C4 | H16 | 180.0° | 180.0° |
| C8 | N7 | C4 | C6 | 30.9° | 43.2° |
| C8 | N7 | C4 | C2 | 151.3° | 137.3° |
| N7 | C8 | C10 | H5 | 0.4° | 0.1° |
| N7 | C4 | C6 | C2 | 177.7° | 179.5° |
| N7 | C4 | C6 | C5 | 179.5° | 179.7° |
| N7 | C4 | C2 | C3 | 179.4° | 180.0° |
| N7 | C4 | C2 | H1 | 0.6° | 0.0° |
| N7 | C4 | C6 | H2 | 0.5° | 0.5° |
| C4 | C6 | C5 | H2 | 180.0° | 179.2° |
| C4 | C6 | C5 | C1 | 1.5° | 0.6° |
| C6 | C4 | C2 | C3 | 2.7° | 0.6° |
| C6 | C4 | C2 | H1 | 177.4° | 179.5° |
| C6 | C4 | N7 | H16 | 149.1° | 136.8° |
| C4 | C6 | C5 | H18 | 178.5° | 179.5° |
| C5 | C6 | C4 | C2 | 2.8° | 0.8° |
| C6 | C5 | C1 | H18 | 180.0° | 179.9° |
| C6 | C5 | C1 | C3 | 0.1° | 0.0° |
| C6 | C5 | C1 | C21 | 178.5° | 179.7° |
| C4 | C2 | C3 | H1 | 180.0° | 180.0° |
| C4 | C2 | C3 | C1 | 1.2° | 0.0° |
| C2 | C4 | C6 | H2 | 177.2° | 180.0° |
| C2 | C4 | N7 | H16 | 28.7° | 42.7° |
| C4 | C2 | C3 | H17 | 178.7° | 180.0° |
| C5 | C1 | C3 | C2 | 0.1° | 0.2° |
| C5 | C1 | C3 | C21 | 178.6° | 179.7° |
| C5 | C1 | C21 | N23 | 21.7° | 0.3° |
| C5 | C1 | C21 | O22 | 159.4° | 179.7° |
| C1 | C5 | C6 | H2 | 178.4° | 179.7° |
| C5 | C1 | C3 | H17 | 180.0° | 179.8° |
| C2 | C3 | C1 | H17 | 180.0° | 180.0° |
| C2 | C3 | C1 | C21 | 178.6° | 180.0° |
| C3 | C1 | C21 | N23 | 156.8° | 180.0° |
| C3 | C1 | C21 | O22 | 22.0° | 0.0° |
| C1 | C3 | C2 | H1 | 178.8° | 180.0° |
| C3 | C1 | C5 | H18 | 179.9° | 180.0° |
| C1 | C21 | N23 | O22 | 178.8° | 180.0° |
| C21 | C1 | C3 | H17 | 1.4° | 0.0° |
| C21 | C1 | C5 | H18 | 1.6° | 0.2° |
| C1 | C21 | N23 | H19 | 178.8° | 0.0° |
| C1 | C21 | N23 | H20 | 1.2° | 180.0° |
| C21 | N23 | H19 | H20 | 180.0° | 180.0° |
| O22 | C21 | N23 | H19 | 0.0° | 180.0° |
| O22 | C21 | N23 | H20 | 180.0° | 0.0° |
| H1 | C2 | C3 | H17 | 1.2° | 0.0° |
| H2 | C6 | C5 | H18 | 1.6° | 0.3° |
| H7 | C20 | H8 | H9 | 120.0° | 120.0° |
| H10 | C19 | H11 | H12 | 120.0° | 120.0° |
| H13 | C18 | H14 | H15 | 120.0° | 119.9° |
