8FV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | O2 | sing | 1.21Å | 1.36Å | Aromatic |
| N5 | C25 | doub | 1.30Å | 1.34Å | Aromatic |
| O2 | C2 | sing | 1.34Å | 1.37Å | Aromatic |
| C25 | C26 | sing | 1.51Å | 1.48Å | |
| C25 | C3 | sing | 1.42Å | 1.45Å | Aromatic |
| C2 | C1 | sing | 1.51Å | 1.46Å | |
| C2 | C3 | doub | 1.37Å | 1.36Å | Aromatic |
| C3 | C4 | sing | 1.48Å | 1.44Å | |
| C24 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C24 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.40Å | 1.42Å | Aromatic |
| N1 | C9 | sing | 1.39Å | 1.41Å | Aromatic |
| N1 | C10 | sing | 1.37Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | N4 | doub | 1.33Å | 1.38Å | Aromatic |
| C10 | C11 | sing | 1.41Å | 1.44Å | Aromatic |
| C5 | O1 | sing | 1.36Å | 1.40Å | |
| C5 | C7 | doub | 1.38Å | 1.41Å | Aromatic |
| N4 | C22 | sing | 1.32Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C8 | C11 | sing | 1.47Å | 1.43Å | Aromatic |
| O1 | C6 | sing | 1.43Å | 1.42Å | |
| C11 | C12 | doub | 1.40Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.51Å | 1.51Å | |
| C22 | N3 | doub | 1.32Å | 1.38Å | Aromatic |
| C12 | N3 | sing | 1.33Å | 1.37Å | Aromatic |
| C12 | C13 | sing | 1.48Å | 1.48Å | |
| C13 | C21 | doub | 1.39Å | 1.37Å | Aromatic |
| C13 | C14 | sing | 1.42Å | 1.46Å | Aromatic |
| C15 | C14 | doub | 1.40Å | 1.43Å | Aromatic |
| C15 | C16 | sing | 1.36Å | 1.35Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.44Å | Aromatic |
| C14 | C19 | sing | 1.42Å | 1.44Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.43Å | Aromatic |
| C20 | N2 | doub | 1.31Å | 1.33Å | Aromatic |
| C19 | N2 | sing | 1.34Å | 1.41Å | Aromatic |
| C19 | C18 | doub | 1.41Å | 1.43Å | Aromatic |
| C17 | C18 | sing | 1.36Å | 1.37Å | Aromatic |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C26 | H20 | sing | 1.09Å | 1.10Å | |
| C26 | H19 | sing | 1.09Å | 1.10Å | |
| C26 | H21 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C15 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.08Å | 1.08Å | |
| C20 | H13 | sing | 1.08Å | 1.08Å | |
| C18 | H12 | sing | 1.08Å | 1.08Å | |
| C17 | H11 | sing | 1.08Å | 1.08Å | |
| C21 | H14 | sing | 1.08Å | 1.08Å | |
| C24 | H18 | sing | 1.08Å | 1.08Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | N5 | C25 | 108.3° | 112.0° |
| N5 | O2 | C2 | 109.1° | 111.9° |
| N5 | C25 | C26 | 124.6° | 126.9° |
| N5 | C25 | C3 | 108.3° | 106.3° |
| O2 | C2 | C1 | 117.3° | 126.9° |
| O2 | C2 | C3 | 109.2° | 106.2° |
| C26 | C25 | C3 | 127.1° | 126.8° |
| C25 | C26 | H20 | 109.5° | 109.4° |
| C25 | C26 | H19 | 109.4° | 109.5° |
| C25 | C26 | H21 | 109.5° | 109.5° |
| C25 | C3 | C2 | 105.0° | 103.7° |
| C25 | C3 | C4 | 127.7° | 128.1° |
| C1 | C2 | C3 | 133.5° | 126.9° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C3 | C4 | 127.3° | 128.2° |
| C3 | C4 | C24 | 119.4° | 119.9° |
| C3 | C4 | C5 | 119.5° | 119.9° |
| C4 | C24 | C9 | 117.5° | 120.0° |
| C24 | C4 | C5 | 121.1° | 120.2° |
| C4 | C24 | H18 | 121.3° | 120.0° |
| C24 | C9 | N1 | 128.2° | 132.1° |
| C24 | C9 | C8 | 122.0° | 119.6° |
| C9 | C24 | H18 | 121.3° | 120.0° |
| C4 | C5 | O1 | 118.2° | 120.0° |
| C4 | C5 | C7 | 120.6° | 120.0° |
| C9 | N1 | C10 | 107.1° | 110.4° |
| N1 | C9 | C8 | 109.8° | 108.3° |
| C9 | N1 | H8 | 126.5° | 124.8° |
| N1 | C10 | N4 | 125.3° | 133.2° |
| N1 | C10 | C11 | 110.1° | 108.4° |
| C10 | N1 | H8 | 126.4° | 124.8° |
| C9 | C8 | C7 | 120.7° | 120.2° |
| C9 | C8 | C11 | 106.6° | 106.3° |
| N4 | C10 | C11 | 124.6° | 118.4° |
| C10 | N4 | C22 | 112.5° | 120.9° |
| C10 | C11 | C8 | 106.5° | 106.6° |
| C10 | C11 | C12 | 116.7° | 118.7° |
| O1 | C5 | C7 | 121.2° | 120.0° |
| C5 | O1 | C6 | 120.5° | 117.0° |
| C5 | C7 | C8 | 118.2° | 120.0° |
| C5 | C7 | H7 | 120.9° | 120.0° |
| N4 | C22 | C23 | 115.2° | 118.6° |
| N4 | C22 | N3 | 128.2° | 122.7° |
| C7 | C8 | C11 | 132.6° | 133.5° |
| C8 | C7 | H7 | 120.9° | 120.0° |
| C8 | C11 | C12 | 136.9° | 134.7° |
| O1 | C6 | H6 | 109.5° | 109.5° |
| O1 | C6 | H5 | 109.5° | 109.5° |
| O1 | C6 | H4 | 109.5° | 109.4° |
| C11 | C12 | N3 | 121.0° | 118.3° |
| C11 | C12 | C13 | 122.9° | 120.8° |
| C23 | C22 | N3 | 116.5° | 118.7° |
| C22 | C23 | H17 | 109.5° | 109.5° |
| C22 | C23 | H15 | 109.5° | 109.5° |
| C22 | C23 | H16 | 109.4° | 109.5° |
| C22 | N3 | C12 | 116.9° | 121.0° |
| N3 | C12 | C13 | 116.0° | 120.8° |
| C12 | C13 | C21 | 117.4° | 121.1° |
| C12 | C13 | C14 | 122.9° | 121.1° |
| C21 | C13 | C14 | 119.6° | 117.8° |
| C13 | C21 | C20 | 119.0° | 119.6° |
| C13 | C21 | H14 | 120.5° | 120.1° |
| C13 | C14 | C15 | 125.1° | 121.4° |
| C13 | C14 | C19 | 117.0° | 118.9° |
| C14 | C15 | C16 | 120.5° | 119.6° |
| C15 | C14 | C19 | 117.9° | 119.7° |
| C14 | C15 | H9 | 119.7° | 120.2° |
| C15 | C16 | C17 | 121.9° | 120.8° |
| C16 | C15 | H9 | 119.8° | 120.2° |
| C15 | C16 | H10 | 119.0° | 119.6° |
| C21 | C20 | N2 | 124.5° | 121.9° |
| C21 | C20 | H13 | 117.8° | 119.0° |
| C20 | C21 | H14 | 120.5° | 120.3° |
| C14 | C19 | N2 | 122.7° | 120.0° |
| C14 | C19 | C18 | 120.3° | 119.0° |
| C16 | C17 | C18 | 119.9° | 121.0° |
| C17 | C16 | H10 | 119.0° | 119.6° |
| C16 | C17 | H11 | 120.1° | 119.5° |
| C20 | N2 | C19 | 117.1° | 121.8° |
| N2 | C20 | H13 | 117.7° | 119.0° |
| N2 | C19 | C18 | 117.0° | 121.0° |
| C19 | C18 | C17 | 119.4° | 119.8° |
| C19 | C18 | H12 | 120.3° | 120.1° |
| C17 | C18 | H12 | 120.2° | 120.1° |
| C18 | C17 | H11 | 120.0° | 119.5° |
| H3 | C1 | H1 | 109.5° | 109.4° |
| H3 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H20 | C26 | H19 | 109.5° | 109.5° |
| H20 | C26 | H21 | 109.5° | 109.5° |
| H19 | C26 | H21 | 109.5° | 109.5° |
| H6 | C6 | H5 | 109.5° | 109.5° |
| H6 | C6 | H4 | 109.5° | 109.4° |
| H5 | C6 | H4 | 109.4° | 109.5° |
| H17 | C23 | H15 | 109.5° | 109.5° |
| H17 | C23 | H16 | 109.5° | 109.4° |
| H15 | C23 | H16 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | N5 | C25 | C26 | 179.3° | 179.7° |
| O2 | N5 | C25 | C3 | 0.7° | 0.4° |
| N5 | O2 | C2 | C1 | 180.0° | 179.8° |
| N5 | O2 | C2 | C3 | 0.1° | 0.5° |
| C25 | N5 | O2 | C2 | 0.4° | 0.5° |
| N5 | C25 | C26 | C3 | 179.9° | 179.9° |
| N5 | C25 | C3 | C2 | 0.8° | 0.1° |
| N5 | C25 | C3 | C4 | 177.8° | 179.9° |
| N5 | C25 | C26 | H20 | 0.0° | 90.0° |
| N5 | C25 | C26 | H19 | 120.0° | 30.0° |
| N5 | C25 | C26 | H21 | 120.0° | 150.0° |
| O2 | C2 | C3 | C25 | 0.5° | 0.2° |
| O2 | C2 | C1 | C3 | 179.8° | 179.7° |
| O2 | C2 | C3 | C4 | 178.0° | 179.8° |
| O2 | C2 | C1 | H3 | 0.0° | 90.3° |
| O2 | C2 | C1 | H1 | 120.0° | 29.7° |
| O2 | C2 | C1 | H2 | 120.0° | 149.6° |
| C26 | C25 | C3 | C2 | 179.2° | 180.0° |
| C26 | C25 | C3 | C4 | 2.3° | 0.0° |
| C25 | C26 | H20 | H19 | 120.0° | 120.0° |
| C25 | C26 | H20 | H21 | 120.0° | 120.0° |
| C25 | C26 | H19 | H21 | 120.0° | 120.0° |
| C25 | C3 | C2 | C1 | 179.7° | 180.0° |
| C25 | C3 | C2 | C4 | 178.6° | 180.0° |
| C25 | C3 | C4 | C24 | 123.7° | 90.0° |
| C25 | C3 | C4 | C5 | 58.7° | 90.0° |
| C3 | C25 | C26 | H20 | 179.9° | 90.1° |
| C3 | C25 | C26 | H19 | 59.9° | 150.0° |
| C3 | C25 | C26 | H21 | 60.0° | 29.9° |
| C1 | C2 | C3 | C4 | 1.8° | 0.0° |
| C2 | C1 | H3 | H1 | 120.0° | 120.0° |
| C2 | C1 | H3 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C3 | C4 | C24 | 58.0° | 90.0° |
| C2 | C3 | C4 | C5 | 119.5° | 90.0° |
| C3 | C2 | C1 | H3 | 179.8° | 90.0° |
| C3 | C2 | C1 | H1 | 59.8° | 150.0° |
| C3 | C2 | C1 | H2 | 60.2° | 30.0° |
| C3 | C4 | C24 | C5 | 177.5° | 180.0° |
| C3 | C4 | C24 | C9 | 176.8° | 180.0° |
| C3 | C4 | C5 | O1 | 3.2° | 0.0° |
| C3 | C4 | C5 | C7 | 176.4° | 180.0° |
| C3 | C4 | C24 | H18 | 3.2° | 0.0° |
| C4 | C24 | C9 | H18 | 180.0° | 179.9° |
| C4 | C24 | C9 | N1 | 176.7° | 179.9° |
| C4 | C24 | C9 | C8 | 0.4° | 0.1° |
| C24 | C4 | C5 | O1 | 179.3° | 180.0° |
| C24 | C4 | C5 | C7 | 1.2° | 0.0° |
| C9 | C24 | C4 | C5 | 0.7° | 0.0° |
| C24 | C9 | N1 | C8 | 177.4° | 179.8° |
| C24 | C9 | N1 | C10 | 176.9° | 179.9° |
| C24 | C9 | C8 | C7 | 1.2° | 0.1° |
| C24 | C9 | C8 | C11 | 178.2° | 179.9° |
| C24 | C9 | N1 | H8 | 3.1° | 0.1° |
| C4 | C5 | O1 | C7 | 179.6° | 180.0° |
| C4 | C5 | C7 | C8 | 0.4° | 0.0° |
| C4 | C5 | O1 | C6 | 168.8° | 179.9° |
| C4 | C5 | C7 | H7 | 179.6° | 180.0° |
| C5 | C4 | C24 | H18 | 179.3° | 180.0° |
| C9 | N1 | C10 | H8 | 180.0° | 180.0° |
| C9 | N1 | C10 | N4 | 177.1° | 179.9° |
| C9 | N1 | C10 | C11 | 1.4° | 0.0° |
| N1 | C9 | C8 | C7 | 176.4° | 180.0° |
| N1 | C9 | C8 | C11 | 0.6° | 0.1° |
| N1 | C9 | C24 | H18 | 3.3° | 0.2° |
| C10 | N1 | C9 | C8 | 0.5° | 0.1° |
| N1 | C10 | N4 | C11 | 178.2° | 179.9° |
| N1 | C10 | N4 | C22 | 177.6° | 180.0° |
| N1 | C10 | C11 | C8 | 1.7° | 0.0° |
| N1 | C10 | C11 | C12 | 178.7° | 179.9° |
| C9 | C8 | C11 | C10 | 1.4° | 0.1° |
| C9 | C8 | C7 | C5 | 0.7° | 0.1° |
| C9 | C8 | C7 | C11 | 176.1° | 179.9° |
| C9 | C8 | C11 | C12 | 179.1° | 179.9° |
| C9 | C8 | C7 | H7 | 179.3° | 179.9° |
| C8 | C9 | C24 | H18 | 179.5° | 180.0° |
| C8 | C9 | N1 | H8 | 179.5° | 179.9° |
| N4 | C10 | C11 | C8 | 176.7° | 180.0° |
| N4 | C10 | C11 | C12 | 2.9° | 0.0° |
| C10 | N4 | C22 | C23 | 173.8° | 179.9° |
| C10 | N4 | C22 | N3 | 3.4° | 0.1° |
| N4 | C10 | N1 | H8 | 2.9° | 0.1° |
| C11 | C10 | N4 | C22 | 0.6° | 0.1° |
| C10 | C11 | C8 | C7 | 175.1° | 180.0° |
| C10 | C11 | C8 | C12 | 179.5° | 179.9° |
| C10 | C11 | C12 | N3 | 4.1° | 0.1° |
| C10 | C11 | C12 | C13 | 173.4° | 179.9° |
| C11 | C10 | N1 | H8 | 178.6° | 180.0° |
| O1 | C5 | C7 | C8 | 179.9° | 180.0° |
| C5 | O1 | C6 | H6 | 180.0° | 60.0° |
| C5 | O1 | C6 | H5 | 60.0° | 60.0° |
| C5 | O1 | C6 | H4 | 60.0° | 180.0° |
| O1 | C5 | C7 | H7 | 0.0° | 0.0° |
| C5 | C7 | C8 | H7 | 180.0° | 180.0° |
| C5 | C7 | C8 | C11 | 176.9° | 180.0° |
| C7 | C5 | O1 | C6 | 11.7° | 0.0° |
| N4 | C22 | C23 | N3 | 177.5° | 180.0° |
| N4 | C22 | N3 | C12 | 2.3° | 0.0° |
| N4 | C22 | C23 | H17 | 0.0° | 90.0° |
| N4 | C22 | C23 | H15 | 120.0° | 149.9° |
| N4 | C22 | C23 | H16 | 120.0° | 30.0° |
| C7 | C8 | C11 | C12 | 4.3° | 0.1° |
| C8 | C11 | C12 | N3 | 175.4° | 180.0° |
| C8 | C11 | C12 | C13 | 7.2° | 0.1° |
| C11 | C8 | C7 | H7 | 3.2° | 0.0° |
| O1 | C6 | H6 | H5 | 120.0° | 120.1° |
| O1 | C6 | H6 | H4 | 120.0° | 120.0° |
| O1 | C6 | H5 | H4 | 120.0° | 120.0° |
| C11 | C12 | N3 | C22 | 1.8° | 0.0° |
| C11 | C12 | N3 | C13 | 177.6° | 179.9° |
| C11 | C12 | C13 | C21 | 122.0° | 55.5° |
| C11 | C12 | C13 | C14 | 54.7° | 124.5° |
| C23 | C22 | N3 | C12 | 174.9° | 180.0° |
| C22 | C23 | H17 | H15 | 120.0° | 120.1° |
| C22 | C23 | H17 | H16 | 120.0° | 120.0° |
| C22 | C23 | H15 | H16 | 120.0° | 120.0° |
| C22 | N3 | C12 | C13 | 175.9° | 179.9° |
| N3 | C22 | C23 | H17 | 177.5° | 90.0° |
| N3 | C22 | C23 | H15 | 62.5° | 30.0° |
| N3 | C22 | C23 | H16 | 57.5° | 150.0° |
| N3 | C12 | C13 | C21 | 60.5° | 124.4° |
| N3 | C12 | C13 | C14 | 122.8° | 55.6° |
| C12 | C13 | C21 | C14 | 176.8° | 179.9° |
| C12 | C13 | C14 | C15 | 1.7° | 0.1° |
| C12 | C13 | C21 | C20 | 176.2° | 180.0° |
| C12 | C13 | C14 | C19 | 175.3° | 180.0° |
| C12 | C13 | C21 | H14 | 3.8° | 0.0° |
| C21 | C13 | C14 | C15 | 178.3° | 179.9° |
| C13 | C21 | C20 | H14 | 180.0° | 180.0° |
| C21 | C13 | C14 | C19 | 1.3° | 0.1° |
| C13 | C21 | C20 | N2 | 0.0° | 0.0° |
| C13 | C21 | C20 | H13 | 180.0° | 180.0° |
| C13 | C14 | C15 | C19 | 177.0° | 179.9° |
| C13 | C14 | C15 | C16 | 175.3° | 180.0° |
| C14 | C13 | C21 | C20 | 0.6° | 0.0° |
| C13 | C14 | C19 | N2 | 1.4° | 0.1° |
| C13 | C14 | C19 | C18 | 176.3° | 180.0° |
| C13 | C14 | C15 | H9 | 4.7° | 0.2° |
| C14 | C13 | C21 | H14 | 179.4° | 180.0° |
| C14 | C15 | C16 | H9 | 180.0° | 179.8° |
| C14 | C15 | C16 | C17 | 1.0° | 0.0° |
| C15 | C14 | C19 | N2 | 178.7° | 180.0° |
| C15 | C14 | C19 | C18 | 1.0° | 0.1° |
| C14 | C15 | C16 | H10 | 179.0° | 179.9° |
| C16 | C15 | C14 | C19 | 1.7° | 0.1° |
| C15 | C16 | C17 | H10 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.6° | 0.1° |
| C15 | C16 | C17 | H11 | 179.4° | 180.0° |
| C21 | C20 | N2 | H13 | 180.0° | 180.0° |
| C21 | C20 | N2 | C19 | 0.1° | 0.0° |
| C14 | C19 | N2 | C20 | 0.9° | 0.1° |
| C14 | C19 | N2 | C18 | 177.8° | 180.0° |
| C14 | C19 | C18 | C17 | 0.5° | 0.0° |
| C19 | C14 | C15 | H9 | 178.3° | 179.7° |
| C14 | C19 | C18 | H12 | 179.5° | 180.0° |
| C16 | C17 | C18 | C19 | 1.3° | 0.1° |
| C16 | C17 | C18 | H11 | 180.0° | 179.9° |
| C17 | C16 | C15 | H9 | 179.0° | 179.8° |
| C16 | C17 | C18 | H12 | 178.7° | 179.9° |
| C20 | N2 | C19 | C18 | 176.9° | 180.0° |
| N2 | C20 | C21 | H14 | 180.0° | 180.0° |
| N2 | C19 | C18 | C17 | 177.3° | 180.0° |
| C19 | N2 | C20 | H13 | 179.9° | 179.9° |
| N2 | C19 | C18 | H12 | 2.7° | 0.0° |
| C19 | C18 | C17 | H12 | 180.0° | 180.0° |
| C19 | C18 | C17 | H11 | 178.7° | 180.0° |
| C18 | C17 | C16 | H10 | 179.4° | 180.0° |
| H3 | C1 | H1 | H2 | 120.0° | 120.0° |
| H20 | C26 | H19 | H21 | 120.0° | 120.0° |
| H6 | C6 | H5 | H4 | 120.0° | 120.0° |
| H9 | C15 | C16 | H10 | 1.0° | 0.3° |
| H10 | C16 | C17 | H11 | 0.6° | 0.1° |
| H13 | C20 | C21 | H14 | 0.0° | 0.0° |
| H12 | C18 | C17 | H11 | 1.3° | 0.0° |
| H17 | C23 | H15 | H16 | 120.0° | 119.9° |
