74N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N9 | C8 | doub | 1.32Å | 1.33Å | Aromatic |
| N9 | C10 | sing | 1.33Å | 1.33Å | Aromatic |
| N22 | C10 | sing | 1.39Å | 1.38Å | |
| C8 | C7 | sing | 1.40Å | 1.40Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.43Å | Aromatic |
| C14 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C7 | C5 | sing | 1.48Å | 1.49Å | |
| C7 | N12 | doub | 1.33Å | 1.34Å | Aromatic |
| N6 | C5 | doub | 1.32Å | 1.32Å | Aromatic |
| N6 | N2 | sing | 1.40Å | 1.40Å | Aromatic |
| C11 | N12 | sing | 1.33Å | 1.34Å | Aromatic |
| C11 | C13 | sing | 1.48Å | 1.51Å | |
| C5 | N4 | sing | 1.34Å | 1.34Å | Aromatic |
| C15 | C16 | sing | 1.40Å | 1.41Å | Aromatic |
| C1 | N2 | sing | 1.47Å | 1.47Å | |
| C13 | C18 | doub | 1.40Å | 1.42Å | Aromatic |
| N2 | C3 | sing | 1.34Å | 1.35Å | Aromatic |
| N4 | C3 | doub | 1.31Å | 1.31Å | Aromatic |
| C3 | C23 | sing | 1.51Å | 1.52Å | |
| C16 | C19 | sing | 1.48Å | 1.49Å | |
| C16 | C17 | doub | 1.40Å | 1.42Å | Aromatic |
| C24 | C25 | sing | 1.53Å | 1.53Å | |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C18 | C17 | sing | 1.38Å | 1.39Å | Aromatic |
| N21 | C19 | sing | 1.35Å | 1.35Å | |
| C19 | O20 | doub | 1.22Å | 1.22Å | |
| C25 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C26 | sing | 1.51Å | 1.53Å | |
| C26 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C31 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C30 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C14 | H5 | sing | 1.08Å | 1.08Å | |
| C15 | H6 | sing | 1.08Å | 1.08Å | |
| C24 | H7 | sing | 1.09Å | 1.10Å | |
| C24 | H8 | sing | 1.09Å | 1.10Å | |
| C27 | H9 | sing | 1.08Å | 1.08Å | |
| C30 | H10 | sing | 1.08Å | 1.08Å | |
| C31 | H11 | sing | 1.08Å | 1.08Å | |
| C17 | H12 | sing | 1.08Å | 1.08Å | |
| C18 | H13 | sing | 1.08Å | 1.08Å | |
| N21 | H14 | sing | 0.97Å | 1.00Å | |
| N21 | H15 | sing | 0.97Å | 1.00Å | |
| N22 | H16 | sing | 0.97Å | 1.00Å | |
| N22 | H17 | sing | 0.97Å | 1.00Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.08Å | 1.08Å | |
| C29 | H21 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C8 | N9 | C10 | 121.6° | 120.1° |
| N9 | C8 | C7 | 119.2° | 120.2° |
| N9 | C8 | H4 | 120.4° | 120.0° |
| N9 | C10 | N22 | 117.0° | 120.0° |
| N9 | C10 | C11 | 120.3° | 119.9° |
| N22 | C10 | C11 | 122.7° | 120.1° |
| C10 | N22 | H16 | 109.5° | 120.0° |
| C10 | N22 | H17 | 109.5° | 120.0° |
| C8 | C7 | C5 | 120.5° | 120.0° |
| C8 | C7 | N12 | 119.4° | 120.1° |
| C7 | C8 | H4 | 120.4° | 119.9° |
| C10 | C11 | N12 | 117.0° | 119.8° |
| C10 | C11 | C13 | 123.7° | 120.1° |
| C15 | C14 | C13 | 121.8° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C15 | C14 | H5 | 119.1° | 120.0° |
| C14 | C15 | H6 | 119.9° | 120.0° |
| C14 | C13 | C11 | 120.9° | 120.0° |
| C14 | C13 | C18 | 117.9° | 120.0° |
| C13 | C14 | H5 | 119.1° | 120.0° |
| C5 | C7 | N12 | 120.0° | 120.0° |
| C7 | C5 | N6 | 126.9° | 125.7° |
| C7 | C5 | N4 | 125.0° | 125.7° |
| C7 | N12 | C11 | 122.4° | 119.9° |
| C5 | N6 | N2 | 107.3° | 106.7° |
| N6 | C5 | N4 | 107.8° | 108.7° |
| N6 | N2 | C1 | 124.4° | 126.7° |
| N6 | N2 | C3 | 106.5° | 106.5° |
| N12 | C11 | C13 | 119.2° | 120.1° |
| C11 | C13 | C18 | 121.2° | 120.0° |
| C5 | N4 | C3 | 110.9° | 109.8° |
| C15 | C16 | C19 | 118.9° | 120.0° |
| C15 | C16 | C17 | 118.9° | 120.0° |
| C16 | C15 | H6 | 119.9° | 120.0° |
| C1 | N2 | C3 | 129.1° | 126.7° |
| N2 | C1 | H1 | 109.5° | 109.5° |
| N2 | C1 | H2 | 109.5° | 109.5° |
| N2 | C1 | H3 | 109.5° | 109.5° |
| C13 | C18 | C17 | 120.7° | 120.0° |
| C13 | C18 | H13 | 119.7° | 120.0° |
| N2 | C3 | N4 | 107.4° | 108.3° |
| N2 | C3 | C23 | 128.9° | 125.9° |
| N4 | C3 | C23 | 123.6° | 125.8° |
| C3 | C23 | C24 | 117.6° | 117.5° |
| C3 | C23 | C25 | 116.2° | 117.5° |
| C3 | C23 | C26 | 115.1° | 115.5° |
| C19 | C16 | C17 | 122.2° | 120.0° |
| C16 | C19 | N21 | 121.0° | 120.0° |
| C16 | C19 | O20 | 121.2° | 120.0° |
| C16 | C17 | C18 | 120.5° | 120.0° |
| C16 | C17 | H12 | 119.8° | 120.0° |
| C25 | C24 | C23 | 60.3° | 60.0° |
| C24 | C25 | C23 | 60.2° | 60.0° |
| C25 | C24 | H7 | 120.0° | 117.5° |
| C25 | C24 | H8 | 119.9° | 117.5° |
| C24 | C25 | H18 | 120.0° | 117.5° |
| C24 | C25 | H19 | 119.9° | 117.5° |
| C24 | C23 | C25 | 59.5° | 60.0° |
| C24 | C23 | C26 | 119.8° | 117.5° |
| C23 | C24 | H7 | 120.0° | 117.5° |
| C23 | C24 | H8 | 119.9° | 117.5° |
| C18 | C17 | H12 | 119.7° | 120.0° |
| C17 | C18 | H13 | 119.6° | 120.0° |
| N21 | C19 | O20 | 117.8° | 120.0° |
| C19 | N21 | H14 | 120.0° | 120.0° |
| C19 | N21 | H15 | 120.0° | 120.0° |
| C25 | C23 | C26 | 117.4° | 117.5° |
| C23 | C25 | H18 | 120.0° | 117.5° |
| C23 | C25 | H19 | 120.0° | 117.5° |
| C23 | C26 | C31 | 120.0° | 120.0° |
| C23 | C26 | C27 | 122.1° | 120.0° |
| C31 | C26 | C27 | 117.9° | 120.0° |
| C26 | C31 | C30 | 121.4° | 120.0° |
| C26 | C31 | H11 | 119.3° | 120.0° |
| C26 | C27 | C28 | 121.0° | 120.0° |
| C26 | C27 | H9 | 119.5° | 120.0° |
| C31 | C30 | C29 | 119.6° | 120.0° |
| C31 | C30 | H10 | 120.2° | 120.0° |
| C30 | C31 | H11 | 119.3° | 120.1° |
| C27 | C28 | C29 | 119.8° | 120.0° |
| C28 | C27 | H9 | 119.5° | 120.0° |
| C27 | C28 | H20 | 120.1° | 120.0° |
| C30 | C29 | C28 | 120.3° | 120.0° |
| C29 | C30 | H10 | 120.2° | 120.0° |
| C30 | C29 | H21 | 119.9° | 120.0° |
| C29 | C28 | H20 | 120.1° | 120.0° |
| C28 | C29 | H21 | 119.8° | 120.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H1 | C1 | H3 | 109.5° | 109.4° |
| H2 | C1 | H3 | 109.5° | 109.4° |
| H7 | C24 | H8 | 109.5° | 115.6° |
| H14 | N21 | H15 | 120.0° | 120.0° |
| H16 | N22 | H17 | 109.5° | 120.0° |
| H18 | C25 | H19 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C8 | N9 | C10 | N22 | 179.8° | 180.0° |
| N9 | C8 | C7 | H4 | 180.0° | 179.9° |
| C8 | N9 | C10 | C11 | 0.2° | 0.3° |
| N9 | C8 | C7 | C5 | 177.0° | 180.0° |
| N9 | C8 | C7 | N12 | 2.3° | 0.3° |
| N9 | C10 | N22 | C11 | 179.6° | 179.7° |
| C10 | N9 | C8 | C7 | 0.9° | 0.0° |
| N9 | C10 | C11 | N12 | 0.0° | 0.3° |
| N9 | C10 | C11 | C13 | 179.1° | 180.0° |
| C10 | N9 | C8 | H4 | 179.1° | 180.0° |
| N9 | C10 | N22 | H16 | 0.0° | 170.7° |
| N9 | C10 | N22 | H17 | 120.0° | 9.3° |
| N22 | C10 | C11 | N12 | 179.5° | 180.0° |
| N22 | C10 | C11 | C13 | 0.5° | 0.3° |
| C10 | N22 | H16 | H17 | 120.0° | 180.0° |
| C8 | C7 | C5 | N12 | 174.6° | 179.7° |
| C8 | C7 | C5 | N6 | 3.7° | 179.7° |
| C8 | C7 | N12 | C11 | 2.7° | 0.3° |
| C8 | C7 | C5 | N4 | 170.4° | 0.2° |
| C10 | C11 | C13 | C14 | 30.2° | 43.9° |
| C10 | C11 | N12 | C7 | 1.5° | 0.0° |
| C10 | C11 | N12 | C13 | 179.1° | 179.7° |
| C10 | C11 | C13 | C18 | 150.0° | 136.4° |
| C11 | C10 | N22 | H16 | 179.6° | 9.0° |
| C11 | C10 | N22 | H17 | 59.6° | 171.0° |
| C15 | C14 | C13 | H5 | 180.0° | 180.0° |
| C15 | C14 | C13 | C11 | 179.7° | 180.0° |
| C14 | C15 | C16 | H6 | 180.0° | 179.9° |
| C15 | C14 | C13 | C18 | 0.4° | 0.3° |
| C14 | C15 | C16 | C19 | 179.2° | 180.0° |
| C14 | C15 | C16 | C17 | 0.5° | 0.0° |
| C14 | C13 | C11 | N12 | 150.8° | 135.8° |
| C14 | C13 | C11 | C18 | 179.8° | 179.7° |
| C13 | C14 | C15 | C16 | 0.8° | 0.0° |
| C14 | C13 | C18 | C17 | 0.3° | 0.6° |
| C13 | C14 | C15 | H6 | 179.2° | 179.9° |
| C14 | C13 | C18 | H13 | 179.7° | 179.7° |
| C7 | C5 | N6 | N4 | 174.9° | 179.9° |
| C7 | C5 | N6 | N2 | 176.3° | 179.9° |
| C5 | C7 | N12 | C11 | 177.3° | 180.0° |
| C7 | C5 | N4 | C3 | 177.4° | 179.9° |
| C5 | C7 | C8 | H4 | 3.0° | 0.1° |
| N12 | C7 | C5 | N6 | 178.3° | 0.1° |
| C7 | N12 | C11 | C13 | 179.4° | 179.7° |
| N12 | C7 | C5 | N4 | 4.2° | 179.9° |
| N12 | C7 | C8 | H4 | 177.7° | 179.7° |
| C5 | N6 | N2 | C1 | 179.5° | 179.9° |
| C5 | N6 | N2 | C3 | 0.0° | 0.1° |
| N6 | C5 | N4 | C3 | 2.3° | 0.2° |
| N2 | N6 | C5 | N4 | 1.3° | 0.1° |
| N6 | N2 | C1 | C3 | 179.3° | 179.9° |
| N6 | N2 | C3 | N4 | 1.4° | 0.2° |
| N6 | N2 | C3 | C23 | 178.6° | 180.0° |
| N6 | N2 | C1 | H1 | 0.0° | 85.3° |
| N6 | N2 | C1 | H2 | 120.0° | 154.6° |
| N6 | N2 | C1 | H3 | 120.0° | 34.7° |
| N12 | C11 | C13 | C18 | 29.0° | 44.0° |
| C11 | C13 | C18 | C17 | 179.5° | 179.7° |
| C11 | C13 | C14 | H5 | 0.2° | 0.0° |
| C11 | C13 | C18 | H13 | 0.5° | 0.0° |
| C5 | N4 | C3 | N2 | 2.3° | 0.3° |
| C5 | N4 | C3 | C23 | 179.7° | 180.0° |
| C15 | C16 | C19 | C17 | 179.6° | 180.0° |
| C15 | C16 | C17 | C18 | 0.3° | 0.3° |
| C15 | C16 | C19 | N21 | 45.8° | 180.0° |
| C15 | C16 | C19 | O20 | 133.0° | 0.0° |
| C16 | C15 | C14 | H5 | 179.2° | 180.0° |
| C15 | C16 | C17 | H12 | 179.7° | 180.0° |
| C1 | N2 | C3 | N4 | 179.2° | 179.8° |
| C1 | N2 | C3 | C23 | 2.0° | 0.0° |
| N2 | C1 | H1 | H2 | 120.0° | 120.1° |
| N2 | C1 | H1 | H3 | 120.0° | 120.0° |
| N2 | C1 | H2 | H3 | 120.0° | 119.9° |
| C13 | C18 | C17 | C16 | 0.7° | 0.6° |
| C13 | C18 | C17 | H13 | 180.0° | 179.7° |
| C18 | C13 | C14 | H5 | 179.6° | 179.7° |
| C13 | C18 | C17 | H12 | 179.3° | 179.7° |
| N2 | C3 | N4 | C23 | 177.3° | 179.8° |
| N2 | C3 | C23 | C24 | 61.0° | 65.2° |
| N2 | C3 | C23 | C25 | 128.5° | 133.9° |
| N2 | C3 | C23 | C26 | 88.8° | 80.4° |
| C3 | N2 | C1 | H1 | 179.4° | 94.6° |
| C3 | N2 | C1 | H2 | 59.3° | 25.5° |
| C3 | N2 | C1 | H3 | 60.6° | 145.4° |
| N4 | C3 | C23 | C24 | 122.3° | 115.0° |
| N4 | C3 | C23 | C25 | 54.7° | 46.4° |
| N4 | C3 | C23 | C26 | 88.0° | 99.3° |
| C3 | C23 | C25 | C24 | 108.0° | 107.5° |
| C3 | C23 | C24 | C26 | 148.2° | 145.0° |
| C3 | C23 | C25 | C26 | 141.8° | 145.0° |
| C3 | C23 | C26 | C31 | 0.6° | 30.5° |
| C3 | C23 | C26 | C27 | 179.8° | 149.4° |
| C3 | C23 | C24 | H7 | 3.9° | 145.0° |
| C3 | C23 | C24 | H8 | 144.8° | 0.1° |
| C3 | C23 | C25 | H18 | 142.5° | 145.0° |
| C3 | C23 | C25 | H19 | 1.5° | 0.0° |
| C19 | C16 | C17 | C18 | 179.9° | 179.7° |
| C16 | C19 | N21 | O20 | 178.8° | 180.0° |
| C19 | C16 | C15 | H6 | 0.8° | 0.1° |
| C19 | C16 | C17 | H12 | 0.1° | 0.0° |
| C16 | C19 | N21 | H14 | 178.8° | 0.0° |
| C16 | C19 | N21 | H15 | 1.2° | 180.0° |
| C16 | C17 | C18 | H12 | 180.0° | 179.7° |
| C17 | C16 | C19 | N21 | 134.6° | 0.0° |
| C17 | C16 | C19 | O20 | 46.6° | 179.9° |
| C17 | C16 | C15 | H6 | 179.6° | 180.0° |
| C16 | C17 | C18 | H13 | 179.3° | 179.7° |
| C25 | C24 | C23 | H7 | 109.6° | 107.5° |
| C25 | C24 | C23 | H8 | 109.5° | 107.4° |
| C24 | C25 | C23 | H18 | 109.5° | 107.5° |
| C24 | C25 | C23 | H19 | 109.5° | 107.5° |
| C25 | C24 | C23 | C26 | 106.1° | 107.5° |
| C25 | C24 | H7 | H8 | 144.6° | 145.7° |
| C24 | C25 | H18 | H19 | 144.6° | 145.7° |
| C24 | C23 | C26 | C31 | 149.6° | 176.2° |
| C24 | C23 | C26 | C27 | 30.8° | 3.8° |
| C23 | C24 | H7 | H8 | 144.6° | 145.7° |
| C19 | N21 | H14 | H15 | 180.0° | 180.0° |
| O20 | C19 | N21 | H14 | 0.0° | 180.0° |
| O20 | C19 | N21 | H15 | 180.0° | 0.0° |
| C25 | C23 | C26 | C31 | 141.7° | 115.2° |
| C25 | C23 | C26 | C27 | 38.0° | 64.8° |
| C23 | C25 | H18 | H19 | 144.7° | 145.7° |
| C23 | C26 | C31 | C27 | 179.7° | 180.0° |
| C23 | C26 | C31 | C30 | 179.8° | 179.4° |
| C23 | C26 | C27 | C28 | 180.0° | 180.0° |
| C26 | C23 | C24 | H7 | 144.3° | 0.0° |
| C26 | C23 | C24 | H8 | 3.5° | 145.0° |
| C23 | C26 | C27 | H9 | 0.0° | 0.2° |
| C23 | C26 | C31 | H11 | 0.2° | 0.3° |
| C26 | C23 | C25 | H18 | 0.7° | 0.0° |
| C26 | C23 | C25 | H19 | 140.3° | 145.0° |
| C26 | C31 | C30 | H11 | 180.0° | 179.1° |
| C31 | C26 | C27 | C28 | 0.4° | 0.0° |
| C26 | C31 | C30 | C29 | 0.8° | 0.9° |
| C31 | C26 | C27 | H9 | 179.6° | 179.8° |
| C26 | C31 | C30 | H10 | 179.2° | 179.8° |
| C27 | C26 | C31 | C30 | 0.5° | 0.6° |
| C26 | C27 | C28 | H9 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.4° | 0.3° |
| C27 | C26 | C31 | H11 | 179.5° | 179.7° |
| C26 | C27 | C28 | H20 | 179.6° | 179.7° |
| C31 | C30 | C29 | H10 | 180.0° | 179.4° |
| C31 | C30 | C29 | C28 | 0.8° | 0.6° |
| C31 | C30 | C29 | H21 | 179.2° | 179.9° |
| C27 | C28 | C29 | C30 | 0.6° | 0.0° |
| C27 | C28 | C29 | H20 | 180.0° | 179.9° |
| C27 | C28 | C29 | H21 | 179.4° | 179.5° |
| C30 | C29 | C28 | H21 | 180.0° | 179.5° |
| C29 | C30 | C31 | H11 | 179.3° | 180.0° |
| C30 | C29 | C28 | H20 | 179.4° | 180.0° |
| C29 | C28 | C27 | H9 | 179.6° | 179.9° |
| C28 | C29 | C30 | H10 | 179.2° | 179.9° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H5 | C14 | C15 | H6 | 0.8° | 0.0° |
| H7 | C24 | C25 | H18 | 140.9° | 0.0° |
| H7 | C24 | C25 | H19 | 0.0° | 145.0° |
| H8 | C24 | C25 | H18 | 0.0° | 145.1° |
| H8 | C24 | C25 | H19 | 140.9° | 0.0° |
| H9 | C27 | C28 | H20 | 0.4° | 0.0° |
| H10 | C30 | C31 | H11 | 0.8° | 0.6° |
| H10 | C30 | C29 | H21 | 0.8° | 0.6° |
| H12 | C17 | C18 | H13 | 0.7° | 0.0° |
| H20 | C28 | C29 | H21 | 0.6° | 0.5° |
