C5Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | C1 | doub | 1.37Å | 1.38Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.38Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C7 | sing | 1.40Å | 1.38Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C11 | C6 | sing | 1.38Å | 1.37Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C14 | C7 | sing | 1.47Å | 1.42Å | Aromatic |
| C7 | C10 | doub | 1.41Å | 1.38Å | Aromatic |
| C9 | C8 | doub | 1.40Å | 1.39Å | Aromatic |
| C8 | C15 | sing | 1.51Å | 1.51Å | |
| C12 | C9 | sing | 1.40Å | 1.38Å | Aromatic |
| C9 | C16 | sing | 1.47Å | 1.49Å | |
| N18 | C10 | sing | 1.38Å | 1.36Å | Aromatic |
| O21 | C11 | sing | 1.37Å | 1.38Å | |
| C11 | C12 | doub | 1.39Å | 1.36Å | Aromatic |
| O22 | C12 | sing | 1.36Å | 1.37Å | |
| C14 | C13 | doub | 1.34Å | 1.38Å | Aromatic |
| C13 | N18 | sing | 1.37Å | 1.37Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | C14 | sing | 1.51Å | 1.49Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| O20 | C16 | doub | 1.21Å | 1.26Å | |
| C16 | O19 | sing | 1.35Å | 1.26Å | |
| C17 | O21 | sing | 1.44Å | 1.42Å | |
| C17 | O22 | sing | 1.44Å | 1.42Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| O19 | HO19 | sing | 0.97Å | 0.95Å | |
| N18 | HN18 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | C1 | C2 | 122.2° | 120.6° |
| C3 | C1 | H1 | 118.9° | 119.7° |
| C1 | C3 | C7 | 117.5° | 119.7° |
| C1 | C3 | H3 | 121.3° | 120.1° |
| C2 | C1 | H1 | 118.9° | 119.8° |
| C1 | C2 | C5 | 121.3° | 120.7° |
| C1 | C2 | H2 | 119.4° | 119.7° |
| C5 | C2 | H2 | 119.4° | 119.6° |
| C2 | C5 | C10 | 115.9° | 119.8° |
| C2 | C5 | H5 | 122.0° | 120.1° |
| C7 | C3 | H3 | 121.3° | 120.1° |
| C3 | C7 | C14 | 132.8° | 134.0° |
| C3 | C7 | C10 | 119.2° | 119.9° |
| C6 | C4 | C8 | 121.5° | 120.4° |
| C6 | C4 | H4 | 119.2° | 119.8° |
| C4 | C6 | C11 | 117.7° | 120.4° |
| C4 | C6 | H6 | 121.1° | 119.9° |
| C8 | C4 | H4 | 119.3° | 119.8° |
| C4 | C8 | C9 | 119.9° | 120.0° |
| C4 | C8 | C15 | 117.3° | 120.0° |
| C10 | C5 | H5 | 122.1° | 120.1° |
| C5 | C10 | C7 | 124.0° | 119.3° |
| C5 | C10 | N18 | 128.7° | 133.5° |
| C11 | C6 | H6 | 121.1° | 119.7° |
| C6 | C11 | O21 | 126.5° | 131.5° |
| C6 | C11 | C12 | 121.1° | 119.9° |
| C14 | C7 | C10 | 108.0° | 106.0° |
| C7 | C14 | C13 | 106.3° | 107.0° |
| C7 | C14 | C15 | 124.7° | 126.5° |
| C7 | C10 | N18 | 107.4° | 107.2° |
| C9 | C8 | C15 | 122.7° | 120.0° |
| C8 | C9 | C12 | 117.5° | 119.7° |
| C8 | C9 | C16 | 123.4° | 120.2° |
| C8 | C15 | C14 | 109.4° | 109.5° |
| C8 | C15 | H15 | 109.5° | 109.4° |
| C8 | C15 | H15A | 109.5° | 109.5° |
| C12 | C9 | C16 | 119.1° | 120.2° |
| C9 | C12 | C11 | 122.2° | 119.7° |
| C9 | C12 | O22 | 126.1° | 131.6° |
| C9 | C16 | O20 | 117.3° | 120.0° |
| C9 | C16 | O19 | 117.4° | 120.0° |
| C10 | N18 | C13 | 109.8° | 109.8° |
| C10 | N18 | HN18 | 125.1° | 125.1° |
| O21 | C11 | C12 | 112.4° | 108.6° |
| C11 | O21 | C17 | 99.9° | 105.4° |
| C11 | C12 | O22 | 111.6° | 108.8° |
| C12 | O22 | C17 | 100.4° | 105.5° |
| C14 | C13 | N18 | 108.5° | 110.0° |
| C14 | C13 | H13 | 125.7° | 125.0° |
| C13 | C14 | C15 | 129.0° | 126.5° |
| N18 | C13 | H13 | 125.8° | 125.0° |
| C13 | N18 | HN18 | 125.1° | 125.0° |
| C14 | C15 | H15 | 109.5° | 109.5° |
| C14 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.4° |
| O20 | C16 | O19 | 125.4° | 120.0° |
| C16 | O19 | HO19 | 109.5° | 117.0° |
| O21 | C17 | O22 | 114.1° | 103.6° |
| O21 | C17 | H17 | 108.3° | 110.6° |
| O21 | C17 | H17A | 108.3° | 110.6° |
| O22 | C17 | H17 | 108.3° | 110.4° |
| O22 | C17 | H17A | 108.3° | 110.9° |
| H17 | C17 | H17A | 109.5° | 110.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | C1 | C2 | H1 | 180.0° | 179.7° |
| C3 | C1 | C2 | C5 | 0.3° | 0.2° |
| C3 | C1 | C2 | H2 | 179.7° | 179.7° |
| C1 | C3 | C7 | H3 | 180.0° | 179.9° |
| C1 | C3 | C7 | C14 | 179.9° | 180.0° |
| C1 | C3 | C7 | C10 | 0.2° | 0.5° |
| C1 | C2 | C5 | H2 | 180.0° | 180.0° |
| C2 | C1 | C3 | C7 | 0.3° | 0.0° |
| C2 | C1 | C3 | H3 | 179.7° | 180.0° |
| C1 | C2 | C5 | C10 | 0.1° | 0.0° |
| C1 | C2 | C5 | H5 | 179.8° | 180.0° |
| H1 | C1 | C2 | C5 | 179.7° | 180.0° |
| H1 | C1 | C2 | H2 | 0.3° | 0.0° |
| H1 | C1 | C3 | C7 | 179.7° | 179.7° |
| H1 | C1 | C3 | H3 | 0.3° | 0.2° |
| C2 | C5 | C10 | H5 | 180.0° | 180.0° |
| C2 | C5 | C10 | C7 | 0.0° | 0.5° |
| C2 | C5 | C10 | N18 | 179.9° | 179.5° |
| H2 | C2 | C5 | C10 | 179.8° | 180.0° |
| H2 | C2 | C5 | H5 | 0.2° | 0.0° |
| C3 | C7 | C10 | C5 | 0.1° | 0.8° |
| C3 | C7 | C14 | C10 | 179.9° | 179.5° |
| C3 | C7 | C10 | N18 | 180.0° | 180.0° |
| C3 | C7 | C14 | C13 | 180.0° | 180.0° |
| C3 | C7 | C14 | C15 | 0.1° | 0.0° |
| H3 | C3 | C7 | C14 | 0.1° | 0.1° |
| H3 | C3 | C7 | C10 | 179.8° | 179.5° |
| C6 | C4 | C8 | H4 | 180.0° | 179.7° |
| C4 | C6 | C11 | H6 | 180.0° | 179.9° |
| C6 | C4 | C8 | C9 | 0.3° | 0.3° |
| C6 | C4 | C8 | C15 | 179.6° | 179.7° |
| C4 | C6 | C11 | O21 | 179.6° | 180.0° |
| C4 | C6 | C11 | C12 | 0.6° | 0.5° |
| C8 | C4 | C6 | C11 | 0.3° | 0.0° |
| C8 | C4 | C6 | H6 | 179.7° | 180.0° |
| C4 | C8 | C9 | C15 | 179.3° | 180.0° |
| C4 | C8 | C9 | C12 | 0.6° | 0.0° |
| C4 | C8 | C9 | C16 | 179.8° | 180.0° |
| C4 | C8 | C15 | C14 | 111.3° | 95.0° |
| C4 | C8 | C15 | H15 | 8.7° | 25.0° |
| C4 | C8 | C15 | H15A | 128.7° | 144.9° |
| H4 | C4 | C6 | C11 | 179.7° | 179.7° |
| H4 | C4 | C6 | H6 | 0.2° | 0.2° |
| H4 | C4 | C8 | C9 | 179.7° | 180.0° |
| H4 | C4 | C8 | C15 | 0.4° | 0.0° |
| C5 | C10 | C7 | C14 | 180.0° | 179.6° |
| C5 | C10 | C7 | N18 | 179.9° | 179.2° |
| C5 | C10 | N18 | C13 | 180.0° | 179.2° |
| C5 | C10 | N18 | HN18 | 0.0° | 0.6° |
| H5 | C5 | C10 | C7 | 179.9° | 179.5° |
| H5 | C5 | C10 | N18 | 0.1° | 0.5° |
| C6 | C11 | C12 | C9 | 0.3° | 0.7° |
| C6 | C11 | O21 | C12 | 179.8° | 179.5° |
| C6 | C11 | C12 | O22 | 180.0° | 180.0° |
| C6 | C11 | O21 | C17 | 172.8° | 162.7° |
| H6 | C6 | C11 | O21 | 0.4° | 0.1° |
| H6 | C6 | C11 | C12 | 179.4° | 179.5° |
| C7 | C14 | C15 | C8 | 172.3° | 85.0° |
| C14 | C7 | C10 | N18 | 0.1° | 0.4° |
| C7 | C14 | C13 | C15 | 179.9° | 179.9° |
| C7 | C14 | C13 | N18 | 0.0° | 0.4° |
| C7 | C14 | C13 | H13 | 180.0° | 179.8° |
| C7 | C14 | C15 | H15 | 67.7° | 35.0° |
| C7 | C14 | C15 | H15A | 52.3° | 155.0° |
| C10 | C7 | C14 | C13 | 0.1° | 0.5° |
| C7 | C10 | N18 | C13 | 0.1° | 0.1° |
| C10 | C7 | C14 | C15 | 179.9° | 179.5° |
| C7 | C10 | N18 | HN18 | 179.9° | 179.7° |
| C8 | C9 | C12 | C16 | 179.6° | 179.9° |
| C8 | C9 | C12 | C11 | 0.4° | 0.5° |
| C8 | C9 | C12 | O22 | 179.4° | 179.6° |
| C9 | C8 | C15 | C14 | 69.4° | 85.0° |
| C9 | C8 | C15 | H15 | 170.6° | 155.0° |
| C9 | C8 | C15 | H15A | 50.6° | 35.1° |
| C8 | C9 | C16 | O20 | 44.3° | 90.0° |
| C8 | C9 | C16 | O19 | 136.3° | 90.0° |
| C15 | C8 | C9 | C12 | 179.9° | 179.9° |
| C15 | C8 | C9 | C16 | 0.5° | 0.0° |
| C8 | C15 | C14 | C13 | 7.9° | 95.1° |
| C8 | C15 | C14 | H15 | 120.0° | 120.0° |
| C8 | C15 | C14 | H15A | 120.0° | 120.0° |
| C8 | C15 | H15 | H15A | 120.0° | 119.9° |
| C9 | C12 | C11 | O21 | 179.9° | 179.7° |
| C9 | C12 | C11 | O22 | 179.7° | 179.3° |
| C12 | C9 | C16 | O20 | 136.1° | 90.1° |
| C12 | C9 | C16 | O19 | 43.3° | 89.9° |
| C9 | C12 | O22 | C17 | 172.5° | 162.1° |
| C16 | C9 | C12 | C11 | 180.0° | 179.5° |
| C16 | C9 | C12 | O22 | 0.3° | 0.4° |
| C9 | C16 | O20 | O19 | 179.3° | 180.0° |
| C9 | C16 | O19 | HO19 | 179.3° | 180.0° |
| C10 | N18 | C13 | C14 | 0.0° | 0.2° |
| C10 | N18 | C13 | HN18 | 180.0° | 179.9° |
| C10 | N18 | C13 | H13 | 179.9° | 180.0° |
| O21 | C11 | C12 | O22 | 0.1° | 0.4° |
| C11 | O21 | C17 | O22 | 12.5° | 27.4° |
| C11 | O21 | C17 | H17 | 133.2° | 145.6° |
| C11 | O21 | C17 | H17A | 108.2° | 91.4° |
| C12 | C11 | O21 | C17 | 7.4° | 17.8° |
| C11 | C12 | O22 | C17 | 7.2° | 17.1° |
| C12 | O22 | C17 | O21 | 12.5° | 27.2° |
| C12 | O22 | C17 | H17 | 133.1° | 145.5° |
| C12 | O22 | C17 | H17A | 108.2° | 91.4° |
| C14 | C13 | N18 | H13 | 180.0° | 179.8° |
| C13 | C14 | C15 | H15 | 112.1° | 145.0° |
| C13 | C14 | C15 | H15A | 127.9° | 25.0° |
| C14 | C13 | N18 | HN18 | 179.9° | 180.0° |
| N18 | C13 | C14 | C15 | 179.9° | 179.6° |
| H13 | C13 | C14 | C15 | 0.1° | 0.2° |
| H13 | C13 | N18 | HN18 | 0.1° | 0.2° |
| C14 | C15 | H15 | H15A | 120.0° | 120.0° |
| O20 | C16 | O19 | HO19 | 0.0° | 0.0° |
| O21 | C17 | O22 | H17 | 120.7° | 118.4° |
| O21 | C17 | O22 | H17A | 120.7° | 118.6° |
| O21 | C17 | H17 | H17A | 117.9° | 122.9° |
| O22 | C17 | H17 | H17A | 117.9° | 123.2° |
