5U6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | O25 | sing | 1.43Å | 1.43Å | |
| O25 | C17 | sing | 1.36Å | 1.37Å | |
| C13 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C21 | sing | 1.51Å | 1.52Å | |
| C14 | N15 | sing | 1.47Å | 1.48Å | |
| C21 | C20 | doub | 1.39Å | 1.40Å | Aromatic |
| C16 | N15 | sing | 1.47Å | 1.47Å | |
| C18 | C10 | sing | 1.48Å | 1.49Å | |
| C18 | C19 | doub | 1.39Å | 1.40Å | Aromatic |
| N15 | C24 | sing | 1.47Å | 1.48Å | |
| C1 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.37Å | 1.37Å | Aromatic |
| C10 | C5 | sing | 1.47Å | 1.47Å | |
| C10 | C9 | doub | 1.36Å | 1.37Å | |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | O22 | sing | 1.36Å | 1.37Å | |
| C5 | C6 | sing | 1.42Å | 1.43Å | Aromatic |
| C2 | N3 | doub | 1.32Å | 1.33Å | Aromatic |
| C9 | N8 | sing | 1.36Å | 1.36Å | |
| C6 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | C7 | sing | 1.47Å | 1.47Å | |
| N3 | C4 | sing | 1.32Å | 1.33Å | Aromatic |
| N8 | C7 | sing | 1.35Å | 1.36Å | |
| N8 | C12 | sing | 1.47Å | 1.47Å | |
| C7 | O11 | doub | 1.22Å | 1.22Å | |
| O22 | C23 | sing | 1.43Å | 1.43Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C13 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.09Å | 1.10Å | |
| C24 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.09Å | 1.10Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| C26 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.08Å | 1.08Å | |
| C2 | H10 | sing | 1.08Å | 1.08Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C19 | H18 | sing | 1.08Å | 1.08Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C26 | O25 | C17 | 120.4° | 117.0° |
| O25 | C26 | H6 | 109.5° | 109.5° |
| O25 | C26 | H7 | 109.5° | 109.4° |
| O25 | C26 | H8 | 109.4° | 109.5° |
| O25 | C17 | C13 | 121.2° | 120.1° |
| O25 | C17 | C18 | 119.7° | 120.0° |
| C17 | C13 | C21 | 121.1° | 120.2° |
| C13 | C17 | C18 | 119.1° | 119.8° |
| C17 | C13 | H2 | 119.4° | 119.9° |
| C13 | C21 | C14 | 119.5° | 119.9° |
| C13 | C21 | C20 | 119.9° | 120.2° |
| C21 | C13 | H2 | 119.4° | 119.9° |
| C17 | C18 | C10 | 120.0° | 120.1° |
| C17 | C18 | C19 | 119.5° | 119.7° |
| C21 | C14 | N15 | 111.2° | 109.5° |
| C14 | C21 | C20 | 120.6° | 119.9° |
| C21 | C14 | H19 | 109.1° | 109.5° |
| C21 | C14 | H20 | 109.1° | 109.5° |
| C14 | N15 | C16 | 111.1° | 111.0° |
| C14 | N15 | C24 | 114.1° | 111.0° |
| N15 | C14 | H19 | 109.0° | 109.4° |
| N15 | C14 | H20 | 109.0° | 109.5° |
| C21 | C20 | C19 | 119.6° | 120.1° |
| C21 | C20 | O22 | 119.3° | 119.9° |
| C16 | N15 | C24 | 109.8° | 111.0° |
| N15 | C16 | H11 | 109.5° | 109.4° |
| N15 | C16 | H12 | 109.5° | 109.5° |
| N15 | C16 | H13 | 109.5° | 109.4° |
| C10 | C18 | C19 | 120.6° | 120.1° |
| C18 | C10 | C5 | 122.0° | 120.5° |
| C18 | C10 | C9 | 119.5° | 120.5° |
| C18 | C19 | C20 | 120.8° | 119.9° |
| C18 | C19 | H18 | 119.6° | 120.1° |
| N15 | C24 | H3 | 109.5° | 109.5° |
| N15 | C24 | H4 | 109.5° | 109.5° |
| N15 | C24 | H5 | 109.5° | 109.5° |
| C5 | C1 | C2 | 118.7° | 118.5° |
| C1 | C5 | C10 | 123.3° | 123.0° |
| C1 | C5 | C6 | 118.6° | 118.5° |
| C5 | C1 | H9 | 120.7° | 120.7° |
| C1 | C2 | N3 | 121.6° | 121.7° |
| C2 | C1 | H9 | 120.6° | 120.8° |
| C1 | C2 | H10 | 119.2° | 119.1° |
| C5 | C10 | C9 | 118.4° | 119.0° |
| C10 | C5 | C6 | 118.2° | 118.5° |
| C10 | C9 | N8 | 123.4° | 122.3° |
| C10 | C9 | H14 | 118.3° | 118.9° |
| C19 | C20 | O22 | 121.0° | 120.0° |
| C20 | C19 | H18 | 119.6° | 120.0° |
| C20 | O22 | C23 | 120.4° | 117.0° |
| C5 | C6 | C4 | 118.3° | 118.9° |
| C5 | C6 | C7 | 118.7° | 118.3° |
| C2 | N3 | C4 | 122.9° | 122.6° |
| N3 | C2 | H10 | 119.2° | 119.1° |
| C9 | N8 | C7 | 122.1° | 122.5° |
| C9 | N8 | C12 | 118.7° | 118.8° |
| N8 | C9 | H14 | 118.3° | 118.8° |
| C4 | C6 | C7 | 123.0° | 122.8° |
| C6 | C4 | N3 | 120.0° | 119.8° |
| C6 | C4 | H1 | 120.0° | 120.1° |
| C6 | C7 | N8 | 119.1° | 119.3° |
| C6 | C7 | O11 | 121.1° | 120.4° |
| N3 | C4 | H1 | 120.0° | 120.1° |
| C7 | N8 | C12 | 119.1° | 118.7° |
| N8 | C7 | O11 | 119.8° | 120.3° |
| N8 | C12 | H15 | 109.5° | 109.5° |
| N8 | C12 | H16 | 109.5° | 109.5° |
| N8 | C12 | H17 | 109.5° | 109.4° |
| O22 | C23 | H22 | 109.5° | 109.4° |
| O22 | C23 | H23 | 109.4° | 109.5° |
| O22 | C23 | H24 | 109.4° | 109.4° |
| H3 | C24 | H4 | 109.4° | 109.5° |
| H3 | C24 | H5 | 109.5° | 109.5° |
| H4 | C24 | H5 | 109.5° | 109.5° |
| H6 | C26 | H7 | 109.5° | 109.5° |
| H6 | C26 | H8 | 109.5° | 109.5° |
| H7 | C26 | H8 | 109.5° | 109.4° |
| H11 | C16 | H12 | 109.4° | 109.5° |
| H11 | C16 | H13 | 109.4° | 109.5° |
| H12 | C16 | H13 | 109.5° | 109.5° |
| H15 | C12 | H16 | 109.4° | 109.5° |
| H15 | C12 | H17 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.4° | 109.5° |
| H19 | C14 | H20 | 109.4° | 109.5° |
| H22 | C23 | H23 | 109.5° | 109.5° |
| H22 | C23 | H24 | 109.5° | 109.5° |
| H23 | C23 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C26 | O25 | C17 | C13 | 15.3° | 0.0° |
| C26 | O25 | C17 | C18 | 166.2° | 180.0° |
| O25 | C26 | H6 | H7 | 120.0° | 120.0° |
| O25 | C26 | H6 | H8 | 120.0° | 120.0° |
| O25 | C26 | H7 | H8 | 120.0° | 120.0° |
| O25 | C17 | C13 | C18 | 178.5° | 179.9° |
| O25 | C17 | C13 | C21 | 179.7° | 180.0° |
| O25 | C17 | C18 | C10 | 0.6° | 0.0° |
| O25 | C17 | C18 | C19 | 179.8° | 180.0° |
| O25 | C17 | C13 | H2 | 0.3° | 0.3° |
| C17 | O25 | C26 | H6 | 180.0° | 60.0° |
| C17 | O25 | C26 | H7 | 60.0° | 60.0° |
| C17 | O25 | C26 | H8 | 60.0° | 180.0° |
| C17 | C13 | C21 | H2 | 180.0° | 179.7° |
| C17 | C13 | C21 | C14 | 180.0° | 180.0° |
| C17 | C13 | C21 | C20 | 0.3° | 0.0° |
| C13 | C17 | C18 | C10 | 177.9° | 180.0° |
| C13 | C17 | C18 | C19 | 1.3° | 0.0° |
| C21 | C13 | C17 | C18 | 1.2° | 0.0° |
| C13 | C21 | C14 | C20 | 179.7° | 180.0° |
| C13 | C21 | C14 | N15 | 114.8° | 100.0° |
| C13 | C21 | C20 | C19 | 0.5° | 0.0° |
| C13 | C21 | C20 | O22 | 177.9° | 180.0° |
| C13 | C21 | C14 | H19 | 124.9° | 20.0° |
| C13 | C21 | C14 | H20 | 5.4° | 140.0° |
| C17 | C18 | C10 | C19 | 179.2° | 180.0° |
| C17 | C18 | C10 | C5 | 125.8° | 105.0° |
| C17 | C18 | C10 | C9 | 55.5° | 75.0° |
| C17 | C18 | C19 | C20 | 0.5° | 0.0° |
| C18 | C17 | C13 | H2 | 178.8° | 179.7° |
| C17 | C18 | C19 | H18 | 179.5° | 180.0° |
| C21 | C14 | N15 | H19 | 120.3° | 120.0° |
| C21 | C14 | N15 | H20 | 120.3° | 120.0° |
| C21 | C14 | N15 | C16 | 176.2° | 66.0° |
| C21 | C14 | N15 | C24 | 51.4° | 170.0° |
| C14 | C21 | C20 | C19 | 179.1° | 180.0° |
| C14 | C21 | C20 | O22 | 2.5° | 0.0° |
| C14 | C21 | C13 | H2 | 0.0° | 0.3° |
| C21 | C14 | H19 | H20 | 119.2° | 120.0° |
| N15 | C14 | C21 | C20 | 64.8° | 80.0° |
| C14 | N15 | C16 | C24 | 127.2° | 124.0° |
| C14 | N15 | C24 | H3 | 180.0° | 180.0° |
| C14 | N15 | C24 | H4 | 60.0° | 60.0° |
| C14 | N15 | C24 | H5 | 60.0° | 60.0° |
| C14 | N15 | C16 | H11 | 180.0° | 60.0° |
| C14 | N15 | C16 | H12 | 60.0° | 180.0° |
| C14 | N15 | C16 | H13 | 60.0° | 60.0° |
| N15 | C14 | H19 | H20 | 119.2° | 120.0° |
| C21 | C20 | C19 | C18 | 0.4° | 0.0° |
| C21 | C20 | C19 | O22 | 178.3° | 180.0° |
| C21 | C20 | O22 | C23 | 152.8° | 180.0° |
| C20 | C21 | C13 | H2 | 179.7° | 179.7° |
| C21 | C20 | C19 | H18 | 179.6° | 180.0° |
| C20 | C21 | C14 | H19 | 55.5° | 160.1° |
| C20 | C21 | C14 | H20 | 174.9° | 40.0° |
| C16 | N15 | C24 | H3 | 54.5° | 56.0° |
| C16 | N15 | C24 | H4 | 65.5° | 176.0° |
| C16 | N15 | C24 | H5 | 174.5° | 64.0° |
| N15 | C16 | H11 | H12 | 120.0° | 120.0° |
| N15 | C16 | H11 | H13 | 120.0° | 119.9° |
| N15 | C16 | H12 | H13 | 120.0° | 120.0° |
| C16 | N15 | C14 | H19 | 63.5° | 173.9° |
| C16 | N15 | C14 | H20 | 55.9° | 54.0° |
| C18 | C10 | C5 | C1 | 1.0° | 0.0° |
| C18 | C10 | C5 | C9 | 178.7° | 180.0° |
| C10 | C18 | C19 | C20 | 178.7° | 180.0° |
| C18 | C10 | C5 | C6 | 178.9° | 180.0° |
| C18 | C10 | C9 | N8 | 178.2° | 180.0° |
| C18 | C10 | C9 | H14 | 1.8° | 0.0° |
| C10 | C18 | C19 | H18 | 1.3° | 0.0° |
| C19 | C18 | C10 | C5 | 55.0° | 75.0° |
| C19 | C18 | C10 | C9 | 123.8° | 105.0° |
| C18 | C19 | C20 | H18 | 180.0° | 180.0° |
| C18 | C19 | C20 | O22 | 177.9° | 180.0° |
| N15 | C24 | H3 | H4 | 120.0° | 120.0° |
| N15 | C24 | H3 | H5 | 120.0° | 120.0° |
| N15 | C24 | H4 | H5 | 120.0° | 120.0° |
| C24 | N15 | C16 | H11 | 52.8° | 176.0° |
| C24 | N15 | C16 | H12 | 172.8° | 56.1° |
| C24 | N15 | C16 | H13 | 67.2° | 64.0° |
| C24 | N15 | C14 | H19 | 171.7° | 50.0° |
| C24 | N15 | C14 | H20 | 68.9° | 70.0° |
| C5 | C1 | C2 | H9 | 180.0° | 180.0° |
| C1 | C5 | C10 | C6 | 179.9° | 180.0° |
| C1 | C5 | C10 | C9 | 177.7° | 180.0° |
| C5 | C1 | C2 | N3 | 1.3° | 0.1° |
| C1 | C5 | C6 | C4 | 0.4° | 0.0° |
| C1 | C5 | C6 | C7 | 179.5° | 180.0° |
| C5 | C1 | C2 | H10 | 178.7° | 179.9° |
| C2 | C1 | C5 | C10 | 178.8° | 180.0° |
| C2 | C1 | C5 | C6 | 1.3° | 0.0° |
| C1 | C2 | N3 | H10 | 180.0° | 179.9° |
| C1 | C2 | N3 | C4 | 0.4° | 0.0° |
| C5 | C10 | C9 | N8 | 3.0° | 0.0° |
| C10 | C5 | C6 | C4 | 179.7° | 180.0° |
| C10 | C5 | C6 | C7 | 0.4° | 0.0° |
| C10 | C5 | C1 | H9 | 1.2° | 0.0° |
| C5 | C10 | C9 | H14 | 177.0° | 180.0° |
| C9 | C10 | C5 | C6 | 2.4° | 0.0° |
| C10 | C9 | N8 | H14 | 180.0° | 180.0° |
| C10 | C9 | N8 | C7 | 0.6° | 0.0° |
| C10 | C9 | N8 | C12 | 176.5° | 180.0° |
| C19 | C20 | O22 | C23 | 28.9° | 0.0° |
| O22 | C20 | C19 | H18 | 2.1° | 0.0° |
| C20 | O22 | C23 | H22 | 180.0° | 180.0° |
| C20 | O22 | C23 | H23 | 60.0° | 60.0° |
| C20 | O22 | C23 | H24 | 60.0° | 60.1° |
| C5 | C6 | C4 | C7 | 179.8° | 180.0° |
| C5 | C6 | C4 | N3 | 0.6° | 0.0° |
| C5 | C6 | C7 | N8 | 2.8° | 0.0° |
| C5 | C6 | C7 | O11 | 178.1° | 180.0° |
| C5 | C6 | C4 | H1 | 179.4° | 179.9° |
| C6 | C5 | C1 | H9 | 178.7° | 180.0° |
| C2 | N3 | C4 | C6 | 0.6° | 0.0° |
| C2 | N3 | C4 | H1 | 179.4° | 179.9° |
| N3 | C2 | C1 | H9 | 178.6° | 180.0° |
| C9 | N8 | C7 | C6 | 2.4° | 0.0° |
| C9 | N8 | C7 | C12 | 177.1° | 180.0° |
| C9 | N8 | C7 | O11 | 178.5° | 180.0° |
| C9 | N8 | C12 | H15 | 180.0° | 180.0° |
| C9 | N8 | C12 | H16 | 60.0° | 60.0° |
| C9 | N8 | C12 | H17 | 60.0° | 60.0° |
| C6 | C4 | N3 | H1 | 180.0° | 179.9° |
| C4 | C6 | C7 | N8 | 177.4° | 180.0° |
| C4 | C6 | C7 | O11 | 1.8° | 0.0° |
| C7 | C6 | C4 | N3 | 179.6° | 180.0° |
| C6 | C7 | N8 | O11 | 179.2° | 180.0° |
| C6 | C7 | N8 | C12 | 179.5° | 180.0° |
| C7 | C6 | C4 | H1 | 0.4° | 0.1° |
| C4 | N3 | C2 | H10 | 179.6° | 179.9° |
| C7 | N8 | C9 | H14 | 179.4° | 180.0° |
| C7 | N8 | C12 | H15 | 2.8° | 0.0° |
| C7 | N8 | C12 | H16 | 122.8° | 120.0° |
| C7 | N8 | C12 | H17 | 117.2° | 120.0° |
| C12 | N8 | C7 | O11 | 1.4° | 0.0° |
| C12 | N8 | C9 | H14 | 3.5° | 0.0° |
| N8 | C12 | H15 | H16 | 120.0° | 120.0° |
| N8 | C12 | H15 | H17 | 120.0° | 120.0° |
| N8 | C12 | H16 | H17 | 120.0° | 120.0° |
| O22 | C23 | H22 | H23 | 120.0° | 120.0° |
| O22 | C23 | H22 | H24 | 120.0° | 119.9° |
| O22 | C23 | H23 | H24 | 120.0° | 120.0° |
| H3 | C24 | H4 | H5 | 120.0° | 120.0° |
| H6 | C26 | H7 | H8 | 120.0° | 120.0° |
| H9 | C1 | C2 | H10 | 1.4° | 0.1° |
| H11 | C16 | H12 | H13 | 119.9° | 120.0° |
| H15 | C12 | H16 | H17 | 120.0° | 120.1° |
| H22 | C23 | H23 | H24 | 120.0° | 120.0° |
