2YV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C19 | C24 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C18 | sing | 1.51Å | 1.51Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | N16 | sing | 1.46Å | 1.45Å | |
| N16 | C15 | sing | 1.38Å | 1.35Å | |
| C15 | N14 | doub | 1.31Å | 1.34Å | Aromatic |
| C15 | N13 | sing | 1.36Å | 1.34Å | Aromatic |
| N14 | C4 | sing | 1.36Å | 1.36Å | Aromatic |
| N13 | C3 | sing | 1.39Å | 1.36Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | C2 | sing | 1.38Å | 1.39Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C1 | sing | 1.42Å | 1.39Å | Aromatic |
| C6 | N9 | sing | 1.36Å | 1.36Å | |
| C1 | C7 | sing | 1.47Å | 1.48Å | |
| N9 | C10 | doub | 1.31Å | 1.35Å | |
| C7 | O8 | doub | 1.22Å | 1.25Å | |
| C7 | N12 | sing | 1.35Å | 1.34Å | |
| C10 | N12 | sing | 1.37Å | 1.36Å | |
| C10 | N11 | sing | 1.37Å | 1.36Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| N11 | H3 | sing | 0.97Å | 1.00Å | |
| N11 | H4 | sing | 0.97Å | 1.00Å | |
| N12 | H5 | sing | 0.97Å | 1.00Å | |
| N13 | H6 | sing | 0.97Å | 1.00Å | |
| N16 | H8 | sing | 0.97Å | 1.00Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C19 | H13 | sing | 1.08Å | 1.08Å | |
| C20 | H14 | sing | 1.08Å | 1.08Å | |
| C21 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C24 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C24 | 120.0° | 120.0° |
| C19 | C20 | C21 | 119.9° | 120.0° |
| C20 | C19 | H13 | 120.0° | 120.0° |
| C19 | C20 | H14 | 120.1° | 120.0° |
| C19 | C24 | C23 | 120.1° | 120.0° |
| C24 | C19 | H13 | 120.0° | 120.0° |
| C19 | C24 | H17 | 119.9° | 120.0° |
| C20 | C21 | C22 | 120.3° | 120.0° |
| C21 | C20 | H14 | 120.1° | 120.0° |
| C20 | C21 | H15 | 119.8° | 120.0° |
| C24 | C23 | C22 | 119.9° | 120.0° |
| C24 | C23 | H16 | 120.0° | 120.0° |
| C23 | C24 | H17 | 120.0° | 120.0° |
| C21 | C22 | C23 | 119.8° | 120.0° |
| C21 | C22 | C18 | 119.6° | 120.0° |
| C22 | C21 | H15 | 119.9° | 120.1° |
| C23 | C22 | C18 | 120.6° | 120.0° |
| C22 | C23 | H16 | 120.0° | 120.0° |
| C22 | C18 | C17 | 114.7° | 109.5° |
| C22 | C18 | H11 | 108.2° | 109.5° |
| C22 | C18 | H12 | 108.1° | 109.5° |
| C18 | C17 | N16 | 109.1° | 109.5° |
| C18 | C17 | H9 | 109.6° | 109.4° |
| C18 | C17 | H10 | 109.6° | 109.5° |
| C17 | C18 | H11 | 108.1° | 109.4° |
| C17 | C18 | H12 | 108.1° | 109.5° |
| C17 | N16 | C15 | 122.9° | 120.0° |
| C17 | N16 | H8 | 106.0° | 120.0° |
| N16 | C17 | H9 | 109.6° | 109.5° |
| N16 | C17 | H10 | 109.6° | 109.5° |
| N16 | C15 | N14 | 123.9° | 125.0° |
| N16 | C15 | N13 | 121.2° | 125.0° |
| C15 | N16 | H8 | 106.0° | 120.0° |
| N14 | C15 | N13 | 114.8° | 110.0° |
| C15 | N14 | C4 | 104.3° | 109.7° |
| C15 | N13 | C3 | 104.1° | 107.2° |
| C15 | N13 | H6 | 128.0° | 126.4° |
| N14 | C4 | C3 | 108.3° | 107.0° |
| N14 | C4 | C5 | 131.6° | 132.8° |
| N13 | C3 | C4 | 108.5° | 106.0° |
| N13 | C3 | C2 | 131.7° | 133.5° |
| C3 | N13 | H6 | 128.0° | 126.4° |
| C3 | C4 | C5 | 120.1° | 120.2° |
| C4 | C3 | C2 | 119.7° | 120.5° |
| C4 | C5 | C6 | 119.8° | 119.6° |
| C4 | C5 | H2 | 120.1° | 120.2° |
| C3 | C2 | C1 | 119.9° | 119.6° |
| C3 | C2 | H1 | 120.1° | 120.2° |
| C5 | C6 | C1 | 119.8° | 119.8° |
| C5 | C6 | N9 | 120.8° | 121.2° |
| C6 | C5 | H2 | 120.1° | 120.2° |
| C2 | C1 | C6 | 120.7° | 120.4° |
| C2 | C1 | C7 | 121.0° | 121.5° |
| C1 | C2 | H1 | 120.0° | 120.2° |
| C1 | C6 | N9 | 119.4° | 119.0° |
| C6 | C1 | C7 | 118.3° | 118.1° |
| C6 | N9 | C10 | 121.4° | 121.5° |
| C1 | C7 | O8 | 121.4° | 121.2° |
| C1 | C7 | N12 | 118.0° | 117.7° |
| N9 | C10 | N12 | 121.6° | 123.1° |
| N9 | C10 | N11 | 119.4° | 118.5° |
| O8 | C7 | N12 | 120.5° | 121.1° |
| C7 | N12 | C10 | 121.2° | 120.6° |
| C7 | N12 | H5 | 119.4° | 119.7° |
| N12 | C10 | N11 | 118.9° | 118.4° |
| C10 | N12 | H5 | 119.4° | 119.7° |
| C10 | N11 | H3 | 120.0° | 120.0° |
| C10 | N11 | H4 | 120.0° | 120.0° |
| H3 | N11 | H4 | 120.0° | 120.0° |
| H9 | C17 | H10 | 109.5° | 109.4° |
| H11 | C18 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C24 | H13 | 180.0° | 179.7° |
| C19 | C20 | C21 | H14 | 180.0° | 180.0° |
| C20 | C19 | C24 | C23 | 0.1° | 0.0° |
| C19 | C20 | C21 | C22 | 0.4° | 0.0° |
| C19 | C20 | C21 | H15 | 179.6° | 180.0° |
| C20 | C19 | C24 | H17 | 179.9° | 180.0° |
| C24 | C19 | C20 | C21 | 0.1° | 0.0° |
| C19 | C24 | C23 | H17 | 180.0° | 180.0° |
| C19 | C24 | C23 | C22 | 0.5° | 0.0° |
| C24 | C19 | C20 | H14 | 179.9° | 180.0° |
| C19 | C24 | C23 | H16 | 179.5° | 180.0° |
| C20 | C21 | C22 | H15 | 180.0° | 180.0° |
| C20 | C21 | C22 | C23 | 0.8° | 0.0° |
| C20 | C21 | C22 | C18 | 179.3° | 180.0° |
| C21 | C20 | C19 | H13 | 179.9° | 179.7° |
| C24 | C23 | C22 | C21 | 0.8° | 0.0° |
| C24 | C23 | C22 | H16 | 180.0° | 180.0° |
| C24 | C23 | C22 | C18 | 179.3° | 180.0° |
| C23 | C24 | C19 | H13 | 179.9° | 179.7° |
| C21 | C22 | C23 | C18 | 178.5° | 180.0° |
| C21 | C22 | C18 | C17 | 95.1° | 90.0° |
| C21 | C22 | C18 | H11 | 25.7° | 29.9° |
| C21 | C22 | C18 | H12 | 144.2° | 150.0° |
| C22 | C21 | C20 | H14 | 179.6° | 180.0° |
| C21 | C22 | C23 | H16 | 179.2° | 180.0° |
| C23 | C22 | C18 | C17 | 86.4° | 90.1° |
| C23 | C22 | C18 | H11 | 152.8° | 150.0° |
| C23 | C22 | C18 | H12 | 34.3° | 30.0° |
| C23 | C22 | C21 | H15 | 179.2° | 179.9° |
| C22 | C23 | C24 | H17 | 179.5° | 180.0° |
| C22 | C18 | C17 | H11 | 120.8° | 120.0° |
| C22 | C18 | C17 | H12 | 120.8° | 120.0° |
| C22 | C18 | C17 | N16 | 167.9° | 180.0° |
| C22 | C18 | C17 | H9 | 72.2° | 60.0° |
| C22 | C18 | C17 | H10 | 47.9° | 60.0° |
| C22 | C18 | H11 | H12 | 117.6° | 120.0° |
| C18 | C22 | C21 | H15 | 0.7° | 0.0° |
| C18 | C22 | C23 | H16 | 0.7° | 0.0° |
| C18 | C17 | N16 | H9 | 120.0° | 120.0° |
| C18 | C17 | N16 | H10 | 119.9° | 120.0° |
| C18 | C17 | N16 | C15 | 159.5° | 180.0° |
| C18 | C17 | N16 | H8 | 78.6° | 0.0° |
| C18 | C17 | H9 | H10 | 120.2° | 120.0° |
| C17 | C18 | H11 | H12 | 117.6° | 120.0° |
| C17 | N16 | C15 | H8 | 121.8° | 180.0° |
| C17 | N16 | C15 | N14 | 19.5° | 180.0° |
| C17 | N16 | C15 | N13 | 160.7° | 0.0° |
| N16 | C17 | H9 | H10 | 120.2° | 120.0° |
| N16 | C17 | C18 | H11 | 47.1° | 60.0° |
| N16 | C17 | C18 | H12 | 71.4° | 60.0° |
| N16 | C15 | N14 | N13 | 179.8° | 180.0° |
| N16 | C15 | N14 | C4 | 179.4° | 179.9° |
| N16 | C15 | N13 | C3 | 179.9° | 180.0° |
| N16 | C15 | N13 | H6 | 0.1° | 0.1° |
| C15 | N16 | C17 | H9 | 39.5° | 60.0° |
| C15 | N16 | C17 | H10 | 80.6° | 60.0° |
| N14 | C15 | N13 | C3 | 0.1° | 0.0° |
| C15 | N14 | C4 | C3 | 0.7° | 0.0° |
| C15 | N14 | C4 | C5 | 179.5° | 179.9° |
| N14 | C15 | N13 | H6 | 179.9° | 180.0° |
| N14 | C15 | N16 | H8 | 102.3° | 0.0° |
| N13 | C15 | N14 | C4 | 0.4° | 0.0° |
| C15 | N13 | C3 | H6 | 180.0° | 180.0° |
| C15 | N13 | C3 | C4 | 0.5° | 0.0° |
| C15 | N13 | C3 | C2 | 179.7° | 180.0° |
| N13 | C15 | N16 | H8 | 77.5° | 179.9° |
| N14 | C4 | C3 | N13 | 0.8° | 0.0° |
| N14 | C4 | C3 | C5 | 179.0° | 179.9° |
| N14 | C4 | C3 | C2 | 179.4° | 180.0° |
| N14 | C4 | C5 | C6 | 179.2° | 179.7° |
| N14 | C4 | C5 | H2 | 0.8° | 0.1° |
| N13 | C3 | C4 | C2 | 179.8° | 180.0° |
| N13 | C3 | C4 | C5 | 179.8° | 179.9° |
| N13 | C3 | C2 | C1 | 179.7° | 180.0° |
| N13 | C3 | C2 | H1 | 0.3° | 0.0° |
| C3 | C4 | C5 | C6 | 0.6° | 0.2° |
| C4 | C3 | C2 | C1 | 0.6° | 0.0° |
| C4 | C3 | C2 | H1 | 179.4° | 180.0° |
| C3 | C4 | C5 | H2 | 179.4° | 180.0° |
| C4 | C3 | N13 | H6 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 0.5° | 0.0° |
| C4 | C5 | C6 | H2 | 180.0° | 179.8° |
| C4 | C5 | C6 | C1 | 0.7° | 0.5° |
| C4 | C5 | C6 | N9 | 179.8° | 180.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | C6 | 0.8° | 0.3° |
| C3 | C2 | C1 | C7 | 179.1° | 180.0° |
| C2 | C3 | N13 | H6 | 0.2° | 0.0° |
| C5 | C6 | C1 | C2 | 0.9° | 0.5° |
| C5 | C6 | C1 | N9 | 179.5° | 179.5° |
| C5 | C6 | C1 | C7 | 179.0° | 179.8° |
| C5 | C6 | N9 | C10 | 177.7° | 180.0° |
| C2 | C1 | C6 | C7 | 179.9° | 179.7° |
| C2 | C1 | C6 | N9 | 179.6° | 179.9° |
| C2 | C1 | C7 | O8 | 0.1° | 0.1° |
| C2 | C1 | C7 | N12 | 179.1° | 180.0° |
| C1 | C6 | N9 | C10 | 1.8° | 0.5° |
| C6 | C1 | C7 | O8 | 180.0° | 179.8° |
| C6 | C1 | C7 | N12 | 0.8° | 0.3° |
| C6 | C1 | C2 | H1 | 179.2° | 179.7° |
| C1 | C6 | C5 | H2 | 179.3° | 179.7° |
| N9 | C6 | C1 | C7 | 0.5° | 0.3° |
| C6 | N9 | C10 | N12 | 1.8° | 0.8° |
| C6 | N9 | C10 | N11 | 178.9° | 180.0° |
| N9 | C6 | C5 | H2 | 0.2° | 0.2° |
| C1 | C7 | O8 | N12 | 179.2° | 179.9° |
| C1 | C7 | N12 | C10 | 0.9° | 0.6° |
| C7 | C1 | C2 | H1 | 0.9° | 0.0° |
| C1 | C7 | N12 | H5 | 179.1° | 180.0° |
| N9 | C10 | N12 | C7 | 0.4° | 0.8° |
| N9 | C10 | N12 | N11 | 179.3° | 179.2° |
| N9 | C10 | N11 | H3 | 0.0° | 0.0° |
| N9 | C10 | N11 | H4 | 180.0° | 180.0° |
| N9 | C10 | N12 | H5 | 179.6° | 179.8° |
| O8 | C7 | N12 | C10 | 179.9° | 179.5° |
| O8 | C7 | N12 | H5 | 0.1° | 0.1° |
| C7 | N12 | C10 | H5 | 180.0° | 179.4° |
| C7 | N12 | C10 | N11 | 179.7° | 179.9° |
| N12 | C10 | N11 | H3 | 179.3° | 179.3° |
| N12 | C10 | N11 | H4 | 0.6° | 0.7° |
| C10 | N11 | H3 | H4 | 180.0° | 179.9° |
| N11 | C10 | N12 | H5 | 0.3° | 0.5° |
| H8 | N16 | C17 | H9 | 161.4° | 120.0° |
| H8 | N16 | C17 | H10 | 41.3° | 120.0° |
| H9 | C17 | C18 | H11 | 167.0° | 180.0° |
| H9 | C17 | C18 | H12 | 48.6° | 60.0° |
| H10 | C17 | C18 | H11 | 72.8° | 60.0° |
| H10 | C17 | C18 | H12 | 168.7° | 180.0° |
| H13 | C19 | C20 | H14 | 0.1° | 0.3° |
| H13 | C19 | C24 | H17 | 0.1° | 0.3° |
| H14 | C20 | C21 | H15 | 0.4° | 0.0° |
| H16 | C23 | C24 | H17 | 0.4° | 0.0° |
