6QH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C5 | sing | 1.74Å | 1.71Å | |
| C8 | O7 | sing | 1.34Å | 1.37Å | Aromatic |
| C8 | N9 | doub | 1.30Å | 1.32Å | Aromatic |
| O7 | C11 | sing | 1.35Å | 1.34Å | Aromatic |
| C6 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.37Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.36Å | Aromatic |
| N9 | C10 | sing | 1.36Å | 1.38Å | Aromatic |
| C11 | C1 | sing | 1.47Å | 1.45Å | |
| C11 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| C1 | C2 | doub | 1.40Å | 1.38Å | Aromatic |
| C10 | C15 | sing | 1.47Å | 1.46Å | |
| C4 | O13 | sing | 1.36Å | 1.41Å | |
| C4 | C3 | doub | 1.39Å | 1.38Å | Aromatic |
| O13 | C14 | sing | 1.43Å | 1.43Å | |
| C2 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C15 | N16 | sing | 1.35Å | 1.34Å | |
| C15 | O17 | doub | 1.22Å | 1.22Å | |
| N16 | C18 | sing | 1.47Å | 1.47Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | N21 | sing | 1.47Å | 1.44Å | |
| N21 | C25 | sing | 1.34Å | 1.37Å | Aromatic |
| N21 | N22 | sing | 1.40Å | 1.37Å | Aromatic |
| C25 | N24 | doub | 1.31Å | 1.33Å | Aromatic |
| N22 | C23 | doub | 1.31Å | 1.34Å | Aromatic |
| N24 | C23 | sing | 1.33Å | 1.39Å | Aromatic |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C20 | H2 | sing | 1.09Å | 1.10Å | |
| C20 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C18 | H5 | sing | 1.09Å | 1.10Å | |
| C18 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C2 | H9 | sing | 1.08Å | 1.08Å | |
| C3 | H10 | sing | 1.08Å | 1.08Å | |
| C23 | H11 | sing | 1.08Å | 1.08Å | |
| C25 | H12 | sing | 1.08Å | 1.08Å | |
| C14 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H15 | sing | 1.09Å | 1.10Å | |
| N16 | H16 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C5 | C6 | 118.3° | 120.0° |
| CL1 | C5 | C4 | 119.2° | 119.9° |
| O7 | C8 | N9 | 114.8° | 109.8° |
| C8 | O7 | C11 | 105.0° | 108.3° |
| O7 | C8 | H4 | 122.6° | 125.1° |
| C8 | N9 | C10 | 102.4° | 108.8° |
| N9 | C8 | H4 | 122.6° | 125.1° |
| O7 | C11 | C1 | 111.4° | 126.8° |
| O7 | C11 | C10 | 107.3° | 106.5° |
| C5 | C6 | C1 | 121.6° | 119.9° |
| C6 | C5 | C4 | 122.5° | 120.1° |
| C5 | C6 | H1 | 119.2° | 120.0° |
| C6 | C1 | C11 | 114.5° | 120.1° |
| C6 | C1 | C2 | 116.9° | 119.8° |
| C1 | C6 | H1 | 119.2° | 120.1° |
| C5 | C4 | O13 | 116.1° | 119.9° |
| C5 | C4 | C3 | 116.3° | 120.1° |
| N9 | C10 | C11 | 110.5° | 106.7° |
| N9 | C10 | C15 | 125.5° | 126.7° |
| C1 | C11 | C10 | 141.2° | 126.8° |
| C11 | C1 | C2 | 128.5° | 120.1° |
| C11 | C10 | C15 | 123.9° | 126.6° |
| C1 | C2 | C3 | 120.6° | 119.9° |
| C1 | C2 | H9 | 119.7° | 120.0° |
| C10 | C15 | N16 | 115.0° | 120.0° |
| C10 | C15 | O17 | 123.6° | 120.0° |
| O13 | C4 | C3 | 127.6° | 120.0° |
| C4 | O13 | C14 | 109.8° | 117.0° |
| C4 | C3 | C2 | 122.1° | 120.2° |
| C4 | C3 | H10 | 119.0° | 119.9° |
| O13 | C14 | H13 | 109.5° | 109.5° |
| O13 | C14 | H14 | 109.5° | 109.4° |
| O13 | C14 | H15 | 109.5° | 109.5° |
| C3 | C2 | H9 | 119.7° | 120.1° |
| C2 | C3 | H10 | 119.0° | 119.9° |
| N16 | C15 | O17 | 121.2° | 120.0° |
| C15 | N16 | C18 | 114.6° | 120.0° |
| C15 | N16 | H16 | 122.7° | 120.0° |
| N16 | C18 | C19 | 109.4° | 109.5° |
| N16 | C18 | H5 | 109.5° | 109.5° |
| N16 | C18 | H6 | 109.5° | 109.5° |
| C18 | N16 | H16 | 122.7° | 120.0° |
| C18 | C19 | C20 | 110.2° | 109.4° |
| C19 | C18 | H5 | 109.5° | 109.5° |
| C19 | C18 | H6 | 109.5° | 109.5° |
| C18 | C19 | H7 | 109.3° | 109.5° |
| C18 | C19 | H8 | 109.3° | 109.5° |
| C19 | C20 | N21 | 109.1° | 109.5° |
| C19 | C20 | H2 | 109.6° | 109.5° |
| C19 | C20 | H3 | 109.6° | 109.5° |
| C20 | C19 | H7 | 109.3° | 109.5° |
| C20 | C19 | H8 | 109.3° | 109.4° |
| C20 | N21 | C25 | 124.6° | 126.8° |
| C20 | N21 | N22 | 121.1° | 126.8° |
| N21 | C20 | H2 | 109.6° | 109.4° |
| N21 | C20 | H3 | 109.6° | 109.4° |
| C25 | N21 | N22 | 114.3° | 106.4° |
| N21 | C25 | N24 | 106.3° | 108.1° |
| N21 | C25 | H12 | 126.9° | 126.0° |
| N21 | N22 | C23 | 99.4° | 106.8° |
| C25 | N24 | C23 | 104.9° | 109.9° |
| N24 | C25 | H12 | 126.8° | 125.9° |
| N22 | C23 | N24 | 115.2° | 108.9° |
| N22 | C23 | H11 | 122.4° | 125.5° |
| N24 | C23 | H11 | 122.4° | 125.6° |
| H2 | C20 | H3 | 109.5° | 109.5° |
| H5 | C18 | H6 | 109.4° | 109.4° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H13 | C14 | H14 | 109.5° | 109.5° |
| H13 | C14 | H15 | 109.4° | 109.5° |
| H14 | C14 | H15 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C5 | C6 | C4 | 178.5° | 179.9° |
| CL1 | C5 | C6 | C1 | 178.8° | 180.0° |
| CL1 | C5 | C4 | O13 | 0.9° | 0.0° |
| CL1 | C5 | C4 | C3 | 178.8° | 179.7° |
| CL1 | C5 | C6 | H1 | 1.2° | 0.0° |
| O7 | C8 | N9 | H4 | 180.0° | 179.8° |
| O7 | C8 | N9 | C10 | 0.7° | 0.0° |
| C8 | O7 | C11 | C1 | 176.2° | 180.0° |
| C8 | O7 | C11 | C10 | 1.0° | 0.1° |
| N9 | C8 | O7 | C11 | 1.1° | 0.0° |
| C8 | N9 | C10 | C11 | 0.0° | 0.1° |
| C8 | N9 | C10 | C15 | 176.3° | 180.0° |
| O7 | C11 | C1 | C6 | 4.7° | 52.7° |
| O7 | C11 | C10 | N9 | 0.7° | 0.1° |
| O7 | C11 | C1 | C10 | 175.8° | 179.9° |
| O7 | C11 | C1 | C2 | 177.9° | 127.0° |
| O7 | C11 | C10 | C15 | 177.0° | 180.0° |
| C11 | O7 | C8 | H4 | 178.9° | 179.7° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| C5 | C6 | C1 | C11 | 177.9° | 180.0° |
| C5 | C6 | C1 | C2 | 0.2° | 0.3° |
| C6 | C5 | C4 | O13 | 179.4° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.2° |
| C1 | C6 | C5 | C4 | 0.3° | 0.1° |
| C6 | C1 | C11 | C2 | 177.4° | 179.8° |
| C6 | C1 | C11 | C10 | 171.1° | 127.4° |
| C6 | C1 | C2 | C3 | 0.2° | 0.2° |
| C6 | C1 | C2 | H9 | 179.7° | 179.8° |
| C5 | C4 | O13 | C3 | 179.7° | 179.8° |
| C5 | C4 | O13 | C14 | 172.8° | 179.8° |
| C5 | C4 | C3 | C2 | 0.4° | 0.2° |
| C4 | C5 | C6 | H1 | 179.7° | 180.0° |
| C5 | C4 | C3 | H10 | 179.6° | 179.8° |
| N9 | C10 | C11 | C1 | 175.2° | 180.0° |
| N9 | C10 | C11 | C15 | 176.4° | 179.9° |
| N9 | C10 | C15 | N16 | 13.0° | 5.7° |
| N9 | C10 | C15 | O17 | 171.7° | 174.3° |
| C10 | N9 | C8 | H4 | 179.3° | 179.8° |
| C1 | C11 | C10 | C15 | 1.2° | 0.1° |
| C11 | C1 | C2 | C3 | 177.5° | 180.0° |
| C11 | C1 | C6 | H1 | 2.1° | 0.0° |
| C11 | C1 | C2 | H9 | 2.4° | 0.0° |
| C10 | C11 | C1 | C2 | 6.3° | 52.9° |
| C11 | C10 | C15 | N16 | 162.8° | 174.4° |
| C11 | C10 | C15 | O17 | 12.5° | 5.6° |
| C1 | C2 | C3 | C4 | 0.3° | 0.0° |
| C1 | C2 | C3 | H9 | 180.0° | 180.0° |
| C2 | C1 | C6 | H1 | 179.8° | 179.8° |
| C1 | C2 | C3 | H10 | 179.7° | 180.0° |
| C10 | C15 | N16 | O17 | 175.4° | 180.0° |
| C10 | C15 | N16 | C18 | 174.9° | 180.0° |
| C10 | C15 | N16 | H16 | 5.1° | 0.0° |
| O13 | C4 | C3 | C2 | 179.3° | 180.0° |
| O13 | C4 | C3 | H10 | 0.7° | 0.0° |
| C4 | O13 | C14 | H13 | 180.0° | 180.0° |
| C4 | O13 | C14 | H14 | 60.0° | 60.0° |
| C4 | O13 | C14 | H15 | 60.0° | 60.0° |
| C3 | C4 | O13 | C14 | 7.5° | 0.0° |
| C4 | C3 | C2 | H10 | 180.0° | 180.0° |
| C4 | C3 | C2 | H9 | 179.7° | 179.9° |
| O13 | C14 | H13 | H14 | 120.0° | 120.0° |
| O13 | C14 | H13 | H15 | 120.0° | 120.1° |
| O13 | C14 | H14 | H15 | 120.0° | 120.0° |
| C15 | N16 | C18 | H16 | 180.0° | 180.0° |
| C15 | N16 | C18 | C19 | 97.4° | 180.0° |
| C15 | N16 | C18 | H5 | 22.6° | 60.0° |
| C15 | N16 | C18 | H6 | 142.6° | 59.9° |
| O17 | C15 | N16 | C18 | 9.7° | 0.0° |
| O17 | C15 | N16 | H16 | 170.3° | 180.0° |
| N16 | C18 | C19 | H5 | 120.0° | 120.0° |
| N16 | C18 | C19 | H6 | 120.0° | 120.0° |
| N16 | C18 | C19 | C20 | 162.7° | 180.0° |
| N16 | C18 | H5 | H6 | 120.0° | 120.0° |
| N16 | C18 | C19 | H7 | 42.6° | 60.0° |
| N16 | C18 | C19 | H8 | 77.2° | 60.0° |
| C18 | C19 | C20 | H7 | 120.1° | 120.0° |
| C18 | C19 | C20 | H8 | 120.1° | 120.0° |
| C18 | C19 | C20 | N21 | 70.8° | 180.0° |
| C18 | C19 | C20 | H2 | 49.1° | 60.0° |
| C18 | C19 | C20 | H3 | 169.2° | 60.0° |
| C19 | C18 | H5 | H6 | 120.0° | 120.0° |
| C18 | C19 | H7 | H8 | 119.7° | 120.0° |
| C19 | C18 | N16 | H16 | 82.6° | 0.0° |
| C19 | C20 | N21 | H2 | 120.0° | 120.0° |
| C19 | C20 | N21 | H3 | 119.9° | 120.1° |
| C19 | C20 | N21 | C25 | 106.1° | 125.0° |
| C19 | C20 | N21 | N22 | 72.1° | 55.1° |
| C19 | C20 | H2 | H3 | 120.2° | 120.1° |
| C20 | C19 | C18 | H5 | 77.3° | 60.0° |
| C20 | C19 | C18 | H6 | 42.7° | 60.0° |
| C20 | C19 | H7 | H8 | 119.7° | 119.9° |
| C20 | N21 | C25 | N22 | 178.3° | 179.9° |
| C20 | N21 | C25 | N24 | 178.3° | 179.9° |
| C20 | N21 | N22 | C23 | 178.7° | 179.8° |
| N21 | C20 | H2 | H3 | 120.2° | 119.9° |
| N21 | C20 | C19 | H7 | 169.0° | 59.9° |
| N21 | C20 | C19 | H8 | 49.2° | 60.1° |
| C20 | N21 | C25 | H12 | 1.7° | 0.2° |
| N21 | C25 | N24 | H12 | 180.0° | 179.9° |
| C25 | N21 | N22 | C23 | 0.3° | 0.1° |
| N21 | C25 | N24 | C23 | 0.3° | 0.1° |
| C25 | N21 | C20 | H2 | 13.9° | 5.0° |
| C25 | N21 | C20 | H3 | 134.0° | 114.9° |
| N22 | N21 | C25 | N24 | 0.0° | 0.0° |
| N21 | N22 | C23 | N24 | 0.5° | 0.2° |
| N22 | N21 | C20 | H2 | 167.9° | 175.1° |
| N22 | N21 | C20 | H3 | 47.8° | 65.0° |
| N21 | N22 | C23 | H11 | 179.5° | 180.0° |
| N22 | N21 | C25 | H12 | 180.0° | 179.9° |
| C25 | N24 | C23 | N22 | 0.6° | 0.2° |
| C25 | N24 | C23 | H11 | 179.4° | 180.0° |
| N22 | C23 | N24 | H11 | 180.0° | 179.8° |
| C23 | N24 | C25 | H12 | 179.7° | 180.0° |
| H2 | C20 | C19 | H7 | 71.0° | 60.0° |
| H2 | C20 | C19 | H8 | 169.2° | 180.0° |
| H3 | C20 | C19 | H7 | 49.1° | 180.0° |
| H3 | C20 | C19 | H8 | 70.7° | 60.0° |
| H5 | C18 | C19 | H7 | 162.6° | 180.0° |
| H5 | C18 | C19 | H8 | 42.8° | 60.0° |
| H5 | C18 | N16 | H16 | 157.4° | 120.0° |
| H6 | C18 | C19 | H7 | 77.4° | 60.0° |
| H6 | C18 | C19 | H8 | 162.8° | 179.9° |
| H6 | C18 | N16 | H16 | 37.4° | 120.1° |
| H9 | C2 | C3 | H10 | 0.4° | 0.0° |
| H13 | C14 | H14 | H15 | 120.0° | 120.0° |
