C5V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C14 | doub | 1.39Å | 1.41Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.42Å | Aromatic |
| C14 | C11 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | doub | 1.41Å | 1.40Å | Aromatic |
| C11 | C10 | sing | 1.48Å | 1.51Å | |
| C17 | C12 | sing | 1.39Å | 1.40Å | Aromatic |
| O18 | C10 | doub | 1.21Å | 1.23Å | |
| C12 | C13 | sing | 1.48Å | 1.51Å | |
| C10 | N9 | sing | 1.35Å | 1.36Å | |
| C13 | N9 | sing | 1.35Å | 1.36Å | |
| C13 | O19 | doub | 1.21Å | 1.23Å | |
| N9 | C1 | sing | 1.46Å | 1.46Å | |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C2 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.41Å | Aromatic |
| C1 | C2 | sing | 1.51Å | 1.53Å | |
| C2 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C5 | N8 | sing | 1.40Å | 1.42Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| N8 | C20 | sing | 1.35Å | 1.38Å | |
| C3 | C4 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C21 | sing | 1.51Å | 1.52Å | |
| C20 | O22 | doub | 1.21Å | 1.23Å | |
| C21 | C24 | sing | 1.53Å | 1.54Å | |
| C21 | C23 | sing | 1.53Å | 1.55Å | |
| C30 | C29 | doub | 1.39Å | 1.41Å | Aromatic |
| C30 | C25 | sing | 1.39Å | 1.42Å | Aromatic |
| C29 | C28 | sing | 1.38Å | 1.41Å | Aromatic |
| C24 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | C25 | sing | 1.51Å | 1.53Å | |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | N27 | doub | 1.32Å | 1.37Å | Aromatic |
| C26 | N27 | sing | 1.32Å | 1.36Å | Aromatic |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C15 | H5 | sing | 1.08Å | 1.08Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C17 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.09Å | 1.10Å | |
| C23 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.08Å | 1.08Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C29 | H14 | sing | 1.08Å | 1.08Å | |
| C30 | H15 | sing | 1.08Å | 1.08Å | |
| C4 | H16 | sing | 1.08Å | 1.08Å | |
| C6 | H17 | sing | 1.08Å | 1.08Å | |
| C7 | H18 | sing | 1.08Å | 1.08Å | |
| N8 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C15 | C16 | 120.8° | 120.4° |
| C15 | C14 | C11 | 117.1° | 119.8° |
| C15 | C14 | H4 | 121.5° | 120.1° |
| C14 | C15 | H5 | 119.6° | 119.8° |
| C15 | C16 | C17 | 121.8° | 120.5° |
| C16 | C15 | H5 | 119.6° | 119.8° |
| C15 | C16 | H6 | 119.1° | 119.7° |
| C14 | C11 | C12 | 121.9° | 119.8° |
| C14 | C11 | C10 | 132.3° | 134.3° |
| C11 | C14 | H4 | 121.5° | 120.1° |
| C16 | C17 | C12 | 116.6° | 119.7° |
| C17 | C16 | H6 | 119.1° | 119.8° |
| C16 | C17 | H7 | 121.7° | 120.1° |
| C12 | C11 | C10 | 105.8° | 105.9° |
| C11 | C12 | C17 | 121.8° | 119.8° |
| C11 | C12 | C13 | 105.9° | 105.9° |
| C11 | C10 | O18 | 122.8° | 125.7° |
| C11 | C10 | N9 | 109.2° | 108.6° |
| C17 | C12 | C13 | 132.4° | 134.3° |
| C12 | C17 | H7 | 121.7° | 120.1° |
| O18 | C10 | N9 | 127.9° | 125.7° |
| C12 | C13 | N9 | 109.1° | 108.6° |
| C12 | C13 | O19 | 123.1° | 125.8° |
| C10 | N9 | C13 | 110.0° | 111.0° |
| C10 | N9 | C1 | 126.0° | 124.5° |
| N9 | C13 | O19 | 127.8° | 125.7° |
| C13 | N9 | C1 | 123.9° | 124.5° |
| N9 | C1 | C2 | 112.7° | 109.5° |
| N9 | C1 | H1 | 108.7° | 109.5° |
| N9 | C1 | H2 | 108.7° | 109.4° |
| C6 | C7 | C2 | 120.2° | 120.1° |
| C7 | C6 | C5 | 121.3° | 120.0° |
| C7 | C6 | H17 | 119.4° | 120.0° |
| C6 | C7 | H18 | 119.9° | 120.0° |
| C7 | C2 | C1 | 120.3° | 119.9° |
| C7 | C2 | C3 | 119.4° | 120.2° |
| C2 | C7 | H18 | 119.9° | 120.0° |
| C6 | C5 | N8 | 116.6° | 120.1° |
| C6 | C5 | C4 | 118.0° | 119.8° |
| C5 | C6 | H17 | 119.3° | 120.0° |
| C1 | C2 | C3 | 120.2° | 119.9° |
| C2 | C1 | H1 | 108.7° | 109.5° |
| C2 | C1 | H2 | 108.6° | 109.5° |
| C2 | C3 | C4 | 120.2° | 120.1° |
| C2 | C3 | H3 | 119.9° | 120.0° |
| N8 | C5 | C4 | 124.6° | 120.1° |
| C5 | N8 | C20 | 122.6° | 120.0° |
| C5 | N8 | H19 | 118.7° | 120.0° |
| C5 | C4 | C3 | 120.7° | 119.9° |
| C5 | C4 | H16 | 119.7° | 120.0° |
| N8 | C20 | C21 | 117.3° | 120.0° |
| N8 | C20 | O22 | 124.5° | 120.0° |
| C20 | N8 | H19 | 118.7° | 120.0° |
| C4 | C3 | H3 | 119.9° | 119.9° |
| C3 | C4 | H16 | 119.6° | 120.0° |
| C21 | C20 | O22 | 118.1° | 120.0° |
| C20 | C21 | C24 | 124.5° | 117.5° |
| C20 | C21 | C23 | 113.7° | 117.5° |
| C20 | C21 | H8 | 115.7° | 115.5° |
| C24 | C21 | C23 | 59.7° | 60.0° |
| C21 | C24 | C23 | 60.6° | 60.0° |
| C24 | C21 | H8 | 115.3° | 117.6° |
| C21 | C24 | H10 | 119.9° | 117.5° |
| C21 | C24 | H11 | 119.9° | 117.5° |
| C21 | C23 | C24 | 59.8° | 60.0° |
| C21 | C23 | C25 | 116.2° | 117.5° |
| C23 | C21 | H8 | 115.0° | 117.5° |
| C21 | C23 | H9 | 115.9° | 117.5° |
| C29 | C30 | C25 | 120.5° | 118.4° |
| C30 | C29 | C28 | 118.2° | 119.2° |
| C30 | C29 | H14 | 120.9° | 120.5° |
| C29 | C30 | H15 | 119.7° | 120.8° |
| C30 | C25 | C23 | 122.1° | 120.4° |
| C30 | C25 | C26 | 118.5° | 119.2° |
| C25 | C30 | H15 | 119.8° | 120.8° |
| C29 | C28 | N27 | 120.5° | 120.7° |
| C29 | C28 | H13 | 119.8° | 119.6° |
| C28 | C29 | H14 | 120.9° | 120.4° |
| C24 | C23 | C25 | 120.5° | 117.5° |
| C24 | C23 | H9 | 116.1° | 117.5° |
| C23 | C24 | H10 | 119.9° | 117.5° |
| C23 | C24 | H11 | 119.9° | 117.5° |
| C23 | C25 | C26 | 119.2° | 120.4° |
| C25 | C23 | H9 | 116.2° | 115.6° |
| C25 | C26 | N27 | 120.1° | 120.7° |
| C25 | C26 | H12 | 119.9° | 119.7° |
| C28 | N27 | C26 | 122.1° | 121.8° |
| N27 | C28 | H13 | 119.7° | 119.7° |
| N27 | C26 | H12 | 120.0° | 119.6° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H10 | C24 | H11 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C15 | C16 | H5 | 180.0° | 180.0° |
| C15 | C14 | C11 | H4 | 180.0° | 179.9° |
| C14 | C15 | C16 | C17 | 1.2° | 0.2° |
| C15 | C14 | C11 | C12 | 0.0° | 0.1° |
| C15 | C14 | C11 | C10 | 178.9° | 179.6° |
| C14 | C15 | C16 | H6 | 178.7° | 180.0° |
| C16 | C15 | C14 | C11 | 0.8° | 0.0° |
| C15 | C16 | C17 | H6 | 180.0° | 179.8° |
| C15 | C16 | C17 | C12 | 0.9° | 0.4° |
| C16 | C15 | C14 | H4 | 179.2° | 179.9° |
| C15 | C16 | C17 | H7 | 179.1° | 180.0° |
| C14 | C11 | C12 | C10 | 179.2° | 179.7° |
| C14 | C11 | C12 | C17 | 0.3° | 0.3° |
| C14 | C11 | C10 | O18 | 2.4° | 0.4° |
| C14 | C11 | C12 | C13 | 178.7° | 179.7° |
| C14 | C11 | C10 | N9 | 179.3° | 179.6° |
| C11 | C14 | C15 | H5 | 179.2° | 179.9° |
| C16 | C17 | C12 | C11 | 0.1° | 0.4° |
| C16 | C17 | C12 | H7 | 180.0° | 179.6° |
| C16 | C17 | C12 | C13 | 178.8° | 179.6° |
| C17 | C16 | C15 | H5 | 178.7° | 179.8° |
| C11 | C12 | C17 | C13 | 178.7° | 180.0° |
| C12 | C11 | C10 | O18 | 178.5° | 180.0° |
| C12 | C11 | C10 | N9 | 0.2° | 0.0° |
| C11 | C12 | C13 | N9 | 1.1° | 0.0° |
| C11 | C12 | C13 | O19 | 177.8° | 180.0° |
| C12 | C11 | C14 | H4 | 180.0° | 180.0° |
| C11 | C12 | C17 | H7 | 179.9° | 180.0° |
| C10 | C11 | C12 | C17 | 179.5° | 180.0° |
| C11 | C10 | O18 | N9 | 178.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C11 | C10 | N9 | C13 | 0.9° | 0.0° |
| C11 | C10 | N9 | C1 | 177.2° | 180.0° |
| C10 | C11 | C14 | H4 | 1.0° | 0.5° |
| C17 | C12 | C13 | N9 | 179.9° | 180.0° |
| C17 | C12 | C13 | O19 | 1.0° | 0.0° |
| C12 | C17 | C16 | H6 | 179.1° | 179.8° |
| O18 | C10 | N9 | C13 | 179.1° | 180.0° |
| O18 | C10 | N9 | C1 | 4.6° | 0.0° |
| C12 | C13 | N9 | C10 | 1.2° | 0.0° |
| C12 | C13 | N9 | O19 | 178.8° | 180.0° |
| C12 | C13 | N9 | C1 | 177.6° | 180.0° |
| C13 | C12 | C17 | H7 | 1.2° | 0.0° |
| C10 | N9 | C13 | C1 | 176.4° | 180.0° |
| C10 | N9 | C13 | O19 | 177.6° | 180.0° |
| C10 | N9 | C1 | C2 | 59.6° | 90.0° |
| C10 | N9 | C1 | H1 | 179.9° | 149.9° |
| C10 | N9 | C1 | H2 | 60.9° | 30.0° |
| C13 | N9 | C1 | C2 | 124.6° | 90.0° |
| C13 | N9 | C1 | H1 | 4.1° | 30.0° |
| C13 | N9 | C1 | H2 | 114.9° | 150.0° |
| O19 | C13 | N9 | C1 | 1.2° | 0.0° |
| N9 | C1 | C2 | C7 | 97.0° | 90.3° |
| N9 | C1 | C2 | H1 | 120.5° | 120.1° |
| N9 | C1 | C2 | H2 | 120.5° | 120.0° |
| N9 | C1 | C2 | C3 | 87.2° | 90.0° |
| N9 | C1 | H1 | H2 | 118.5° | 119.9° |
| C6 | C7 | C2 | H18 | 180.0° | 179.6° |
| C7 | C6 | C5 | H17 | 180.0° | 179.8° |
| C6 | C7 | C2 | C1 | 176.8° | 179.8° |
| C6 | C7 | C2 | C3 | 1.0° | 0.4° |
| C7 | C6 | C5 | N8 | 174.2° | 179.8° |
| C7 | C6 | C5 | C4 | 4.0° | 0.2° |
| C2 | C7 | C6 | C5 | 1.4° | 0.4° |
| C7 | C2 | C1 | C3 | 175.8° | 179.8° |
| C7 | C2 | C3 | C4 | 0.5° | 0.2° |
| C7 | C2 | C1 | H1 | 142.5° | 29.8° |
| C7 | C2 | C1 | H2 | 23.5° | 149.8° |
| C7 | C2 | C3 | H3 | 179.5° | 179.8° |
| C2 | C7 | C6 | H17 | 178.6° | 179.8° |
| C6 | C5 | N8 | C4 | 169.4° | 180.0° |
| C6 | C5 | N8 | C20 | 122.3° | 146.7° |
| C6 | C5 | C4 | C3 | 4.5° | 0.1° |
| C6 | C5 | C4 | H16 | 175.5° | 180.0° |
| C5 | C6 | C7 | H18 | 178.6° | 180.0° |
| C6 | C5 | N8 | H19 | 57.7° | 33.2° |
| C1 | C2 | C3 | C4 | 176.4° | 180.0° |
| C2 | C1 | H1 | H2 | 118.5° | 120.0° |
| C1 | C2 | C3 | H3 | 3.6° | 0.0° |
| C1 | C2 | C7 | H18 | 3.2° | 0.2° |
| C2 | C3 | C4 | C5 | 2.3° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C3 | C2 | C1 | H1 | 33.3° | 150.0° |
| C3 | C2 | C1 | H2 | 152.3° | 30.0° |
| C2 | C3 | C4 | H16 | 177.8° | 180.0° |
| C3 | C2 | C7 | H18 | 179.0° | 180.0° |
| C5 | N8 | C20 | H19 | 180.0° | 179.9° |
| N8 | C5 | C4 | C3 | 173.7° | 180.0° |
| C5 | N8 | C20 | C21 | 172.3° | 174.7° |
| C5 | N8 | C20 | O22 | 5.0° | 5.2° |
| N8 | C5 | C4 | H16 | 6.3° | 0.0° |
| N8 | C5 | C6 | H17 | 5.8° | 0.0° |
| C4 | C5 | N8 | C20 | 47.1° | 33.4° |
| C5 | C4 | C3 | H16 | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 177.8° | 180.0° |
| C4 | C5 | C6 | H17 | 176.0° | 180.0° |
| C4 | C5 | N8 | H19 | 132.9° | 146.7° |
| N8 | C20 | C21 | O22 | 177.5° | 179.9° |
| N8 | C20 | C21 | C24 | 147.3° | 111.4° |
| N8 | C20 | C21 | C23 | 144.3° | 179.9° |
| N8 | C20 | C21 | H8 | 7.8° | 34.3° |
| C20 | C21 | C24 | C23 | 99.3° | 107.5° |
| C20 | C21 | C24 | H8 | 155.2° | 145.0° |
| C20 | C21 | C23 | H8 | 136.8° | 145.0° |
| C20 | C21 | C23 | C25 | 131.0° | 145.0° |
| C20 | C21 | C23 | H9 | 10.9° | 0.0° |
| C20 | C21 | C24 | H10 | 151.0° | 145.1° |
| C20 | C21 | C24 | H11 | 10.3° | 0.0° |
| C21 | C20 | N8 | H19 | 7.7° | 5.3° |
| O22 | C20 | C21 | C24 | 35.3° | 68.6° |
| O22 | C20 | C21 | C23 | 33.2° | 0.0° |
| O22 | C20 | C21 | H8 | 169.6° | 145.7° |
| O22 | C20 | N8 | H19 | 175.0° | 174.7° |
| C24 | C21 | C23 | H8 | 105.8° | 107.6° |
| C21 | C24 | C23 | H10 | 109.6° | 107.5° |
| C21 | C24 | C23 | H11 | 109.6° | 107.5° |
| C24 | C21 | C23 | C25 | 111.6° | 107.5° |
| C24 | C21 | C23 | H9 | 106.5° | 107.5° |
| C21 | C24 | H10 | H11 | 144.4° | 145.7° |
| C21 | C23 | C25 | C30 | 13.8° | 120.3° |
| C21 | C23 | C25 | H9 | 141.8° | 145.7° |
| C21 | C23 | C25 | C26 | 170.6° | 60.0° |
| C29 | C30 | C25 | H15 | 180.0° | 180.0° |
| C30 | C29 | C28 | H14 | 180.0° | 179.7° |
| C29 | C30 | C25 | C23 | 178.3° | 180.0° |
| C29 | C30 | C25 | C26 | 2.7° | 0.3° |
| C30 | C29 | C28 | N27 | 0.9° | 0.2° |
| C30 | C29 | C28 | H13 | 179.2° | 180.0° |
| C25 | C30 | C29 | C28 | 1.8° | 0.0° |
| C30 | C25 | C23 | C24 | 82.7° | 171.1° |
| C30 | C25 | C23 | C26 | 175.5° | 179.7° |
| C30 | C25 | C26 | N27 | 2.7° | 0.3° |
| C30 | C25 | C23 | H9 | 127.9° | 25.4° |
| C30 | C25 | C26 | H12 | 177.3° | 179.7° |
| C25 | C30 | C29 | H14 | 178.2° | 179.7° |
| C29 | C28 | N27 | H13 | 180.0° | 179.8° |
| C29 | C28 | N27 | C26 | 0.8° | 0.3° |
| C28 | C29 | C30 | H15 | 178.2° | 180.0° |
| C24 | C23 | C25 | H9 | 149.4° | 145.7° |
| C24 | C23 | C25 | C26 | 101.8° | 8.6° |
| C23 | C24 | H10 | H11 | 144.4° | 145.7° |
| C23 | C25 | C26 | N27 | 178.4° | 180.0° |
| C25 | C23 | C21 | H8 | 5.8° | 0.1° |
| C25 | C23 | C24 | H10 | 5.1° | 0.0° |
| C25 | C23 | C24 | H11 | 145.9° | 145.0° |
| C23 | C25 | C26 | H12 | 1.6° | 0.0° |
| C23 | C25 | C30 | H15 | 1.7° | 0.0° |
| C25 | C26 | N27 | C28 | 1.8° | 0.0° |
| C25 | C26 | N27 | H12 | 180.0° | 180.0° |
| C26 | C25 | C23 | H9 | 47.6° | 154.3° |
| C26 | C25 | C30 | H15 | 177.3° | 179.7° |
| C28 | N27 | C26 | H12 | 178.2° | 180.0° |
| N27 | C28 | C29 | H14 | 179.1° | 179.9° |
| C26 | N27 | C28 | H13 | 179.2° | 180.0° |
| H3 | C3 | C4 | H16 | 2.2° | 0.0° |
| H4 | C14 | C15 | H5 | 0.8° | 0.0° |
| H5 | C15 | C16 | H6 | 1.3° | 0.0° |
| H6 | C16 | C17 | H7 | 0.9° | 0.2° |
| H8 | C21 | C23 | H9 | 147.7° | 145.0° |
| H8 | C21 | C24 | H10 | 4.2° | 0.1° |
| H8 | C21 | C24 | H11 | 144.9° | 145.0° |
| H9 | C23 | C24 | H10 | 144.3° | 145.0° |
| H9 | C23 | C24 | H11 | 3.6° | 0.1° |
| H13 | C28 | C29 | H14 | 0.9° | 0.3° |
| H14 | C29 | C30 | H15 | 1.8° | 0.3° |
| H17 | C6 | C7 | H18 | 1.4° | 0.2° |
