5P6
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N22 | C9 | doub | 1.32Å | 1.34Å | Aromatic |
| N22 | C8 | sing | 1.32Å | 1.34Å | Aromatic |
| C9 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C8 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C5 | C13 | doub | 1.40Å | 1.39Å | Aromatic |
| C4 | C13 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.48Å | 1.49Å | |
| C12 | C7 | doub | 1.38Å | 1.38Å | Aromatic |
| C12 | C2 | sing | 1.40Å | 1.40Å | Aromatic |
| C7 | C11 | sing | 1.40Å | 1.41Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.36Å | Aromatic |
| N21 | C1 | trip | 1.14Å | 1.14Å | |
| C11 | C10 | doub | 1.42Å | 1.43Å | Aromatic |
| C11 | C14 | sing | 1.42Å | 1.42Å | Aromatic |
| C1 | C10 | sing | 1.43Å | 1.44Å | |
| C3 | C14 | sing | 1.41Å | 1.42Å | Aromatic |
| C10 | C6 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | N23 | doub | 1.34Å | 1.37Å | Aromatic |
| C6 | C15 | doub | 1.39Å | 1.40Å | Aromatic |
| N23 | C15 | sing | 1.31Å | 1.32Å | Aromatic |
| C15 | C19 | sing | 1.51Å | 1.52Å | |
| N24 | C19 | sing | 1.47Å | 1.47Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.53Å | |
| C20 | C17 | sing | 1.53Å | 1.53Å | |
| C20 | C16 | sing | 1.53Å | 1.52Å | |
| C18 | H39 | sing | 1.09Å | 1.10Å | |
| C18 | H40 | sing | 1.09Å | 1.10Å | |
| C17 | H36 | sing | 1.09Å | 1.10Å | |
| C17 | H37 | sing | 1.09Å | 1.10Å | |
| C17 | H38 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C16 | H35 | sing | 1.09Å | 1.10Å | |
| C19 | H41 | sing | 1.09Å | 1.10Å | |
| C20 | H42 | sing | 1.09Å | 1.10Å | |
| C2 | H25 | sing | 1.08Å | 1.08Å | |
| C3 | H26 | sing | 1.08Å | 1.08Å | |
| C4 | H27 | sing | 1.08Å | 1.08Å | |
| C5 | H28 | sing | 1.08Å | 1.08Å | |
| C6 | H29 | sing | 1.08Å | 1.08Å | |
| C7 | H30 | sing | 1.08Å | 1.08Å | |
| C8 | H31 | sing | 1.08Å | 1.08Å | |
| C9 | H32 | sing | 1.08Å | 1.08Å | |
| N24 | H1 | sing | 1.01Å | 1.00Å | |
| N24 | H43 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N22 | C8 | 116.8° | 122.0° |
| N22 | C9 | C5 | 123.6° | 120.8° |
| N22 | C9 | H32 | 118.2° | 119.6° |
| N22 | C8 | C4 | 123.7° | 120.9° |
| N22 | C8 | H31 | 118.1° | 119.6° |
| C9 | C5 | C13 | 119.3° | 119.0° |
| C9 | C5 | H28 | 120.4° | 120.5° |
| C5 | C9 | H32 | 118.2° | 119.6° |
| C8 | C4 | C13 | 119.3° | 119.0° |
| C8 | C4 | H27 | 120.3° | 120.4° |
| C4 | C8 | H31 | 118.1° | 119.5° |
| C5 | C13 | C4 | 117.2° | 118.2° |
| C5 | C13 | C12 | 121.6° | 120.9° |
| C13 | C5 | H28 | 120.3° | 120.5° |
| C4 | C13 | C12 | 121.2° | 121.0° |
| C13 | C4 | H27 | 120.4° | 120.5° |
| C13 | C12 | C7 | 119.8° | 119.9° |
| C13 | C12 | C2 | 121.7° | 119.8° |
| C7 | C12 | C2 | 118.4° | 120.4° |
| C12 | C7 | C11 | 122.1° | 119.5° |
| C12 | C7 | H30 | 119.0° | 120.3° |
| C12 | C2 | C3 | 121.5° | 121.0° |
| C12 | C2 | H25 | 119.2° | 119.5° |
| C7 | C11 | C10 | 125.0° | 121.2° |
| C7 | C11 | C14 | 118.6° | 119.8° |
| C11 | C7 | H30 | 119.0° | 120.2° |
| C2 | C3 | C14 | 120.7° | 120.0° |
| C3 | C2 | H25 | 119.3° | 119.5° |
| C2 | C3 | H26 | 119.7° | 120.0° |
| N21 | C1 | C10 | 175.0° | 180.0° |
| C10 | C11 | C14 | 116.4° | 118.9° |
| C11 | C10 | C1 | 119.0° | 121.2° |
| C11 | C10 | C6 | 120.1° | 117.7° |
| C11 | C14 | C3 | 118.7° | 119.3° |
| C11 | C14 | N23 | 122.5° | 120.0° |
| C1 | C10 | C6 | 120.3° | 121.1° |
| C3 | C14 | N23 | 118.8° | 120.7° |
| C14 | C3 | H26 | 119.6° | 120.0° |
| C10 | C6 | C15 | 118.4° | 119.5° |
| C10 | C6 | H29 | 120.8° | 120.2° |
| C14 | N23 | C15 | 118.3° | 121.9° |
| C6 | C15 | N23 | 124.1° | 121.9° |
| C6 | C15 | C19 | 120.1° | 119.0° |
| C15 | C6 | H29 | 120.8° | 120.2° |
| N23 | C15 | C19 | 115.8° | 119.1° |
| C15 | C19 | N24 | 110.8° | 109.5° |
| C15 | C19 | C18 | 109.0° | 109.5° |
| C15 | C19 | H41 | 107.9° | 109.4° |
| N24 | C19 | C18 | 112.9° | 109.5° |
| N24 | C19 | H41 | 108.4° | 109.5° |
| C19 | N24 | H1 | 109.5° | 111.0° |
| C19 | N24 | H43 | 109.5° | 111.1° |
| C19 | C18 | C20 | 116.4° | 109.5° |
| C19 | C18 | H39 | 107.7° | 109.5° |
| C19 | C18 | H40 | 107.7° | 109.5° |
| C18 | C19 | H41 | 107.7° | 109.5° |
| C18 | C20 | C17 | 112.1° | 109.5° |
| C18 | C20 | C16 | 110.6° | 109.5° |
| C20 | C18 | H39 | 107.7° | 109.4° |
| C20 | C18 | H40 | 107.7° | 109.5° |
| C18 | C20 | H42 | 108.0° | 109.4° |
| C17 | C20 | C16 | 109.8° | 109.5° |
| C20 | C17 | H36 | 109.5° | 109.5° |
| C20 | C17 | H37 | 109.5° | 109.5° |
| C20 | C17 | H38 | 109.5° | 109.5° |
| C17 | C20 | H42 | 108.1° | 109.5° |
| C20 | C16 | H33 | 109.5° | 109.5° |
| C20 | C16 | H34 | 109.5° | 109.5° |
| C20 | C16 | H35 | 109.5° | 109.5° |
| C16 | C20 | H42 | 108.1° | 109.5° |
| H39 | C18 | H40 | 109.5° | 109.5° |
| H36 | C17 | H37 | 109.4° | 109.4° |
| H36 | C17 | H38 | 109.5° | 109.5° |
| H37 | C17 | H38 | 109.5° | 109.4° |
| H33 | C16 | H34 | 109.5° | 109.5° |
| H33 | C16 | H35 | 109.4° | 109.4° |
| H34 | C16 | H35 | 109.5° | 109.5° |
| H1 | N24 | H43 | 109.5° | 110.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N22 | C9 | C5 | H32 | 180.0° | 179.9° |
| C9 | N22 | C8 | C4 | 0.2° | 0.3° |
| N22 | C9 | C5 | C13 | 0.7° | 0.0° |
| N22 | C9 | C5 | H28 | 179.4° | 180.0° |
| C9 | N22 | C8 | H31 | 179.8° | 179.7° |
| C8 | N22 | C9 | C5 | 0.6° | 0.3° |
| N22 | C8 | C4 | H31 | 180.0° | 180.0° |
| N22 | C8 | C4 | C13 | 0.9° | 0.0° |
| N22 | C8 | C4 | H27 | 179.1° | 180.0° |
| C8 | N22 | C9 | H32 | 179.4° | 179.8° |
| C9 | C5 | C13 | H28 | 180.0° | 180.0° |
| C9 | C5 | C13 | C4 | 0.1° | 0.2° |
| C9 | C5 | C13 | C12 | 179.7° | 180.0° |
| C8 | C4 | C13 | C5 | 0.9° | 0.2° |
| C8 | C4 | C13 | H27 | 180.0° | 179.9° |
| C8 | C4 | C13 | C12 | 179.0° | 180.0° |
| C5 | C13 | C4 | C12 | 179.8° | 179.8° |
| C5 | C13 | C12 | C7 | 155.2° | 0.3° |
| C5 | C13 | C12 | C2 | 29.3° | 179.7° |
| C5 | C13 | C4 | H27 | 179.1° | 179.7° |
| C13 | C5 | C9 | H32 | 179.3° | 180.0° |
| C4 | C13 | C12 | C7 | 24.6° | 180.0° |
| C4 | C13 | C12 | C2 | 150.9° | 0.0° |
| C4 | C13 | C5 | H28 | 179.9° | 179.7° |
| C13 | C4 | C8 | H31 | 179.0° | 180.0° |
| C13 | C12 | C7 | C2 | 175.6° | 180.0° |
| C13 | C12 | C7 | C11 | 173.3° | 180.0° |
| C13 | C12 | C2 | C3 | 175.3° | 179.8° |
| C13 | C12 | C2 | H25 | 4.7° | 0.1° |
| C12 | C13 | C4 | H27 | 1.0° | 0.1° |
| C12 | C13 | C5 | H28 | 0.3° | 0.0° |
| C13 | C12 | C7 | H30 | 6.7° | 0.0° |
| C12 | C7 | C11 | H30 | 180.0° | 180.0° |
| C7 | C12 | C2 | C3 | 0.3° | 0.2° |
| C12 | C7 | C11 | C10 | 175.2° | 180.0° |
| C12 | C7 | C11 | C14 | 3.3° | 0.2° |
| C7 | C12 | C2 | H25 | 179.7° | 179.9° |
| C2 | C12 | C7 | C11 | 2.3° | 0.0° |
| C12 | C2 | C3 | H25 | 180.0° | 179.8° |
| C12 | C2 | C3 | C14 | 0.7° | 0.2° |
| C12 | C2 | C3 | H26 | 179.3° | 180.0° |
| C2 | C12 | C7 | H30 | 177.7° | 180.0° |
| C7 | C11 | C10 | C14 | 178.5° | 179.8° |
| C7 | C11 | C10 | C1 | 12.1° | 0.0° |
| C7 | C11 | C14 | C3 | 2.2° | 0.2° |
| C7 | C11 | C10 | C6 | 176.5° | 180.0° |
| C7 | C11 | C14 | N23 | 178.4° | 180.0° |
| C2 | C3 | C14 | C11 | 0.3° | 0.0° |
| C2 | C3 | C14 | H26 | 180.0° | 179.8° |
| C2 | C3 | C14 | N23 | 179.7° | 179.8° |
| N21 | C1 | C10 | C11 | 2.0° | 6.5° |
| N21 | C1 | C10 | C6 | 173.4° | 173.5° |
| C11 | C10 | C1 | C6 | 171.3° | 180.0° |
| C10 | C11 | C14 | C3 | 176.4° | 180.0° |
| C10 | C11 | C14 | N23 | 3.0° | 0.2° |
| C11 | C10 | C6 | C15 | 3.6° | 0.1° |
| C11 | C10 | C6 | H29 | 176.3° | 180.0° |
| C10 | C11 | C7 | H30 | 4.8° | 0.0° |
| C14 | C11 | C10 | C1 | 166.4° | 179.8° |
| C11 | C14 | C3 | N23 | 179.3° | 179.8° |
| C14 | C11 | C10 | C6 | 4.9° | 0.2° |
| C11 | C14 | N23 | C15 | 0.4° | 0.0° |
| C11 | C14 | C3 | H26 | 179.7° | 179.8° |
| C14 | C11 | C7 | H30 | 176.7° | 179.8° |
| C1 | C10 | C6 | C15 | 167.6° | 180.0° |
| C1 | C10 | C6 | H29 | 12.4° | 0.1° |
| C3 | C14 | N23 | C15 | 179.7° | 179.8° |
| C14 | C3 | C2 | H25 | 179.3° | 180.0° |
| C10 | C6 | C15 | H29 | 180.0° | 179.9° |
| C10 | C6 | C15 | N23 | 0.1° | 0.3° |
| C10 | C6 | C15 | C19 | 178.7° | 180.0° |
| C14 | N23 | C15 | C6 | 2.0° | 0.2° |
| C14 | N23 | C15 | C19 | 179.2° | 180.0° |
| N23 | C14 | C3 | H26 | 0.3° | 0.0° |
| C6 | C15 | N23 | C19 | 178.8° | 179.8° |
| C6 | C15 | C19 | N24 | 128.0° | 5.0° |
| C6 | C15 | C19 | C18 | 107.2° | 125.0° |
| C6 | C15 | C19 | H41 | 9.4° | 115.0° |
| N23 | C15 | C19 | N24 | 53.1° | 175.2° |
| N23 | C15 | C19 | C18 | 71.6° | 55.2° |
| N23 | C15 | C19 | H41 | 171.7° | 64.8° |
| N23 | C15 | C6 | H29 | 179.9° | 179.8° |
| C15 | C19 | N24 | C18 | 122.6° | 120.0° |
| C15 | C19 | N24 | H41 | 118.2° | 120.0° |
| C15 | C19 | C18 | H41 | 116.8° | 120.0° |
| C15 | C19 | C18 | C20 | 60.1° | 175.0° |
| C15 | C19 | C18 | H39 | 178.9° | 65.1° |
| C15 | C19 | C18 | H40 | 60.9° | 55.0° |
| C19 | C15 | C6 | H29 | 1.3° | 0.1° |
| C15 | C19 | N24 | H1 | 180.0° | 64.0° |
| C15 | C19 | N24 | H43 | 60.0° | 60.0° |
| N24 | C19 | C18 | H41 | 119.6° | 120.0° |
| N24 | C19 | C18 | C20 | 176.3° | 65.0° |
| N24 | C19 | C18 | H39 | 55.3° | 54.9° |
| N24 | C19 | C18 | H40 | 62.7° | 175.0° |
| C19 | N24 | H1 | H43 | 120.0° | 124.0° |
| C19 | C18 | C20 | H39 | 121.0° | 120.0° |
| C19 | C18 | C20 | H40 | 121.0° | 120.0° |
| C19 | C18 | C20 | C17 | 58.4° | 175.0° |
| C19 | C18 | C20 | C16 | 178.7° | 65.0° |
| C19 | C18 | H39 | H40 | 116.9° | 120.1° |
| C19 | C18 | C20 | H42 | 60.6° | 55.0° |
| C18 | C19 | N24 | H1 | 57.4° | 176.1° |
| C18 | C19 | N24 | H43 | 177.5° | 60.0° |
| C18 | C20 | C17 | C16 | 123.4° | 120.0° |
| C18 | C20 | C17 | H42 | 118.8° | 119.9° |
| C18 | C20 | C16 | H42 | 118.0° | 119.9° |
| C20 | C18 | H39 | H40 | 116.8° | 120.0° |
| C18 | C20 | C17 | H36 | 180.0° | 60.0° |
| C18 | C20 | C17 | H37 | 60.0° | 180.0° |
| C18 | C20 | C17 | H38 | 60.0° | 60.0° |
| C18 | C20 | C16 | H33 | 180.0° | 59.9° |
| C18 | C20 | C16 | H34 | 60.0° | 180.0° |
| C18 | C20 | C16 | H35 | 60.0° | 60.0° |
| C20 | C18 | C19 | H41 | 56.7° | 55.0° |
| C17 | C20 | C16 | H42 | 117.7° | 120.0° |
| C17 | C20 | C18 | H39 | 62.7° | 55.0° |
| C17 | C20 | C18 | H40 | 179.4° | 65.0° |
| C20 | C17 | H36 | H37 | 120.0° | 120.0° |
| C20 | C17 | H36 | H38 | 120.0° | 120.0° |
| C20 | C17 | H37 | H38 | 120.0° | 120.0° |
| C17 | C20 | C16 | H33 | 55.7° | 180.0° |
| C17 | C20 | C16 | H34 | 64.3° | 60.0° |
| C17 | C20 | C16 | H35 | 175.7° | 60.0° |
| C16 | C20 | C18 | H39 | 60.3° | 175.0° |
| C16 | C20 | C18 | H40 | 57.7° | 55.0° |
| C16 | C20 | C17 | H36 | 56.6° | 60.0° |
| C16 | C20 | C17 | H37 | 176.6° | 60.0° |
| C16 | C20 | C17 | H38 | 63.4° | 180.0° |
| C20 | C16 | H33 | H34 | 120.0° | 120.0° |
| C20 | C16 | H33 | H35 | 120.0° | 120.0° |
| C20 | C16 | H34 | H35 | 120.0° | 120.0° |
| H39 | C18 | C19 | H41 | 64.3° | 175.0° |
| H39 | C18 | C20 | H42 | 178.4° | 65.0° |
| H40 | C18 | C19 | H41 | 177.7° | 65.0° |
| H40 | C18 | C20 | H42 | 60.5° | 175.0° |
| H36 | C17 | H37 | H38 | 120.0° | 120.0° |
| H36 | C17 | C20 | H42 | 61.1° | 180.0° |
| H37 | C17 | C20 | H42 | 58.9° | 60.0° |
| H38 | C17 | C20 | H42 | 178.9° | 59.9° |
| H33 | C16 | H34 | H35 | 120.0° | 120.0° |
| H33 | C16 | C20 | H42 | 62.0° | 60.0° |
| H34 | C16 | C20 | H42 | 178.0° | 60.1° |
| H35 | C16 | C20 | H42 | 58.0° | 179.9° |
| H41 | C19 | N24 | H1 | 61.7° | 56.0° |
| H41 | C19 | N24 | H43 | 58.3° | 180.0° |
| H25 | C2 | C3 | H26 | 0.7° | 0.1° |
| H27 | C4 | C8 | H31 | 1.0° | 0.0° |
| H28 | C5 | C9 | H32 | 0.7° | 0.1° |
