4G8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.42Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.56Å | |
| C18 | N17 | sing | 1.47Å | 1.49Å | |
| N17 | C25 | sing | 1.46Å | 1.50Å | |
| N17 | C15 | sing | 1.35Å | 1.33Å | |
| C25 | C26 | sing | 1.51Å | 1.55Å | |
| C26 | O27 | doub | 1.21Å | 1.24Å | |
| C26 | O28 | sing | 1.34Å | 1.36Å | |
| C15 | O16 | doub | 1.22Å | 1.22Å | |
| C15 | C9 | sing | 1.48Å | 1.59Å | |
| C9 | N8 | sing | 1.34Å | 1.35Å | Aromatic |
| C9 | C10 | doub | 1.39Å | 1.38Å | Aromatic |
| N8 | C1 | doub | 1.31Å | 1.36Å | Aromatic |
| C10 | C12 | sing | 1.47Å | 1.54Å | |
| C10 | N11 | sing | 1.37Å | 1.32Å | Aromatic |
| C12 | O14 | doub | 1.22Å | 1.25Å | |
| C12 | O13 | sing | 1.35Å | 1.25Å | |
| N11 | C1 | sing | 1.36Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.48Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| C2 | C7 | doub | 1.40Å | 1.42Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.41Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.42Å | Aromatic |
| C6 | C7 | sing | 1.38Å | 1.38Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| O28 | H28 | sing | 0.97Å | 0.95Å | |
| N11 | H11 | sing | 0.97Å | 1.00Å | |
| O13 | H13 | sing | 0.97Å | 0.95Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C20 | C19 | 120.7° | 120.0° |
| C20 | C21 | C22 | 118.6° | 120.0° |
| C21 | C20 | H20 | 119.6° | 120.0° |
| C20 | C21 | H21 | 120.7° | 120.0° |
| C20 | C19 | C24 | 120.1° | 120.0° |
| C20 | C19 | C18 | 120.4° | 120.0° |
| C19 | C20 | H20 | 119.7° | 120.0° |
| C21 | C22 | C23 | 120.6° | 119.9° |
| C22 | C21 | H21 | 120.7° | 120.0° |
| C21 | C22 | H22 | 119.7° | 120.0° |
| C22 | C23 | C24 | 120.7° | 120.1° |
| C23 | C22 | H22 | 119.7° | 120.1° |
| C22 | C23 | H23 | 119.7° | 119.9° |
| C23 | C24 | C19 | 119.3° | 120.0° |
| C24 | C23 | H23 | 119.7° | 120.0° |
| C23 | C24 | H24 | 120.4° | 120.0° |
| C24 | C19 | C18 | 119.6° | 120.0° |
| C19 | C24 | H24 | 120.3° | 120.0° |
| C19 | C18 | N17 | 105.1° | 109.5° |
| C19 | C18 | H181 | 110.9° | 109.5° |
| C19 | C18 | H182 | 111.9° | 109.4° |
| C18 | N17 | C25 | 114.8° | 120.0° |
| C18 | N17 | C15 | 121.9° | 120.0° |
| N17 | C18 | H181 | 110.9° | 109.5° |
| N17 | C18 | H182 | 111.9° | 109.4° |
| C25 | N17 | C15 | 123.1° | 120.0° |
| N17 | C25 | C26 | 107.1° | 109.4° |
| N17 | C25 | H251 | 110.3° | 109.5° |
| N17 | C25 | H252 | 110.8° | 109.5° |
| N17 | C15 | O16 | 122.7° | 120.0° |
| N17 | C15 | C9 | 114.8° | 120.0° |
| C25 | C26 | O27 | 122.4° | 120.0° |
| C25 | C26 | O28 | 118.4° | 120.0° |
| C26 | C25 | H251 | 110.3° | 109.4° |
| C26 | C25 | H252 | 110.8° | 109.5° |
| O27 | C26 | O28 | 119.0° | 120.0° |
| C26 | O28 | H28 | 109.5° | 117.1° |
| O16 | C15 | C9 | 122.0° | 120.0° |
| C15 | C9 | N8 | 121.8° | 126.2° |
| C15 | C9 | C10 | 130.1° | 126.2° |
| N8 | C9 | C10 | 108.0° | 107.6° |
| C9 | N8 | C1 | 106.8° | 109.6° |
| C9 | C10 | C12 | 128.0° | 126.9° |
| C9 | C10 | N11 | 108.8° | 106.4° |
| N8 | C1 | N11 | 109.0° | 109.3° |
| N8 | C1 | C2 | 123.3° | 125.4° |
| C12 | C10 | N11 | 123.2° | 126.8° |
| C10 | C12 | O14 | 120.3° | 120.0° |
| C10 | C12 | O13 | 118.0° | 120.0° |
| C10 | N11 | C1 | 107.4° | 107.2° |
| C10 | N11 | H11 | 126.3° | 126.4° |
| O14 | C12 | O13 | 121.7° | 120.0° |
| C12 | O13 | H13 | 109.5° | 117.0° |
| N11 | C1 | C2 | 127.7° | 125.3° |
| C1 | N11 | H11 | 126.3° | 126.4° |
| C1 | C2 | C3 | 119.2° | 120.1° |
| C1 | C2 | C7 | 121.4° | 120.2° |
| C3 | C2 | C7 | 119.3° | 119.7° |
| C2 | C3 | C4 | 120.0° | 119.8° |
| C2 | C3 | H3 | 120.0° | 120.1° |
| C2 | C7 | C6 | 119.7° | 119.9° |
| C2 | C7 | H7 | 120.2° | 120.1° |
| C3 | C4 | C5 | 122.0° | 120.1° |
| C4 | C3 | H3 | 120.0° | 120.1° |
| C3 | C4 | H4 | 119.0° | 119.9° |
| C4 | C5 | C6 | 117.1° | 120.3° |
| C5 | C4 | H4 | 119.0° | 119.9° |
| C4 | C5 | H5 | 121.4° | 119.9° |
| C5 | C6 | C7 | 121.9° | 120.1° |
| C6 | C5 | H5 | 121.4° | 119.8° |
| C5 | C6 | H6 | 119.1° | 120.0° |
| C6 | C7 | H7 | 120.2° | 120.1° |
| C7 | C6 | H6 | 119.1° | 120.0° |
| H181 | C18 | H182 | 106.1° | 109.5° |
| H251 | C25 | H252 | 107.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C20 | C19 | H20 | 180.0° | 179.6° |
| C20 | C21 | C22 | H21 | 180.0° | 179.9° |
| C20 | C21 | C22 | C23 | 0.6° | 0.0° |
| C21 | C20 | C19 | C24 | 0.5° | 0.0° |
| C21 | C20 | C19 | C18 | 179.8° | 179.9° |
| C20 | C21 | C22 | H22 | 179.4° | 179.9° |
| C19 | C20 | C21 | C22 | 0.0° | 0.0° |
| C20 | C19 | C24 | C23 | 0.4° | 0.1° |
| C20 | C19 | C24 | C18 | 179.7° | 179.9° |
| C20 | C19 | C18 | N17 | 120.5° | 90.0° |
| C19 | C20 | C21 | H21 | 179.9° | 180.0° |
| C20 | C19 | C24 | H24 | 179.6° | 180.0° |
| C20 | C19 | C18 | H181 | 119.5° | 150.0° |
| C20 | C19 | C18 | H182 | 1.1° | 30.0° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.7° | 0.1° |
| C22 | C21 | C20 | H20 | 180.0° | 179.7° |
| C21 | C22 | C23 | H23 | 179.3° | 179.9° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C19 | 0.1° | 0.1° |
| C23 | C22 | C21 | H21 | 179.3° | 180.0° |
| C22 | C23 | C24 | H24 | 179.9° | 180.0° |
| C23 | C24 | C19 | H24 | 180.0° | 179.9° |
| C23 | C24 | C19 | C18 | 179.9° | 180.0° |
| C24 | C23 | C22 | H22 | 179.3° | 180.0° |
| C24 | C19 | C18 | N17 | 59.8° | 90.1° |
| C24 | C19 | C20 | H20 | 179.5° | 179.6° |
| C19 | C24 | C23 | H23 | 179.9° | 179.9° |
| C24 | C19 | C18 | H181 | 60.2° | 29.9° |
| C24 | C19 | C18 | H182 | 178.6° | 149.9° |
| C19 | C18 | N17 | H181 | 120.0° | 120.0° |
| C19 | C18 | N17 | H182 | 121.7° | 119.9° |
| C19 | C18 | N17 | C25 | 59.5° | 90.0° |
| C19 | C18 | N17 | C15 | 116.6° | 90.0° |
| C18 | C19 | C20 | H20 | 0.2° | 0.3° |
| C18 | C19 | C24 | H24 | 0.1° | 0.1° |
| C19 | C18 | H181 | H182 | 121.8° | 120.0° |
| C18 | N17 | C25 | C15 | 176.0° | 179.9° |
| C18 | N17 | C25 | C26 | 91.1° | 94.7° |
| C18 | N17 | C15 | O16 | 1.4° | 5.2° |
| C18 | N17 | C15 | C9 | 171.1° | 174.8° |
| N17 | C18 | H181 | H182 | 121.8° | 120.0° |
| C18 | N17 | C25 | H251 | 28.9° | 145.3° |
| C18 | N17 | C25 | H252 | 147.9° | 25.3° |
| N17 | C25 | C26 | H251 | 120.0° | 120.0° |
| N17 | C25 | C26 | H252 | 121.0° | 120.0° |
| N17 | C25 | C26 | O27 | 24.4° | 0.1° |
| N17 | C25 | C26 | O28 | 150.9° | 180.0° |
| C25 | N17 | C15 | O16 | 177.1° | 174.8° |
| C25 | N17 | C15 | C9 | 4.6° | 5.3° |
| C25 | N17 | C18 | H181 | 179.5° | 30.1° |
| C25 | N17 | C18 | H182 | 62.2° | 150.1° |
| N17 | C25 | H251 | H252 | 121.0° | 120.1° |
| C15 | N17 | C25 | C26 | 92.9° | 85.3° |
| N17 | C15 | O16 | C9 | 171.9° | 180.0° |
| N17 | C15 | C9 | N8 | 74.5° | 6.0° |
| N17 | C15 | C9 | C10 | 101.9° | 174.4° |
| C15 | N17 | C18 | H181 | 3.4° | 150.0° |
| C15 | N17 | C18 | H182 | 121.8° | 30.0° |
| C15 | N17 | C25 | H251 | 147.1° | 34.6° |
| C15 | N17 | C25 | H252 | 28.1° | 154.6° |
| C25 | C26 | O27 | O28 | 175.2° | 179.9° |
| C26 | C25 | H251 | H252 | 121.0° | 120.0° |
| C25 | C26 | O28 | H28 | 175.4° | 180.0° |
| O27 | C26 | C25 | H251 | 95.6° | 120.1° |
| O27 | C26 | C25 | H252 | 145.3° | 120.0° |
| O27 | C26 | O28 | H28 | 0.0° | 0.1° |
| O28 | C26 | C25 | H251 | 89.1° | 60.0° |
| O28 | C26 | C25 | H252 | 29.9° | 59.9° |
| O16 | C15 | C9 | N8 | 98.0° | 174.0° |
| O16 | C15 | C9 | C10 | 85.6° | 5.7° |
| C15 | C9 | N8 | C10 | 177.1° | 179.7° |
| C15 | C9 | N8 | C1 | 178.9° | 180.0° |
| C15 | C9 | C10 | C12 | 0.8° | 0.1° |
| C15 | C9 | C10 | N11 | 178.4° | 180.0° |
| N8 | C9 | C10 | C12 | 177.6° | 179.8° |
| N8 | C9 | C10 | N11 | 1.6° | 0.3° |
| C9 | N8 | C1 | N11 | 1.4° | 0.2° |
| C9 | N8 | C1 | C2 | 178.9° | 180.0° |
| C10 | C9 | N8 | C1 | 1.8° | 0.3° |
| C9 | C10 | C12 | N11 | 179.2° | 180.0° |
| C9 | C10 | C12 | O14 | 10.0° | 0.0° |
| C9 | C10 | C12 | O13 | 169.7° | 180.0° |
| C9 | C10 | N11 | C1 | 0.7° | 0.2° |
| C9 | C10 | N11 | H11 | 179.3° | 180.0° |
| N8 | C1 | N11 | C10 | 0.4° | 0.0° |
| N8 | C1 | N11 | C2 | 177.4° | 179.8° |
| N8 | C1 | C2 | C3 | 148.4° | 0.0° |
| N8 | C1 | C2 | C7 | 27.7° | 179.8° |
| N8 | C1 | N11 | H11 | 179.6° | 179.8° |
| C10 | C12 | O14 | O13 | 179.7° | 179.9° |
| C12 | C10 | N11 | C1 | 178.6° | 179.9° |
| C12 | C10 | N11 | H11 | 1.4° | 0.0° |
| C10 | C12 | O13 | H13 | 179.8° | 180.0° |
| N11 | C10 | C12 | O14 | 170.8° | 179.9° |
| N11 | C10 | C12 | O13 | 9.4° | 0.0° |
| C10 | N11 | C1 | H11 | 180.0° | 179.8° |
| C10 | N11 | C1 | C2 | 177.8° | 179.8° |
| O14 | C12 | O13 | H13 | 0.0° | 0.1° |
| N11 | C1 | C2 | C3 | 28.7° | 179.8° |
| N11 | C1 | C2 | C7 | 155.3° | 0.1° |
| C1 | C2 | C3 | C7 | 176.1° | 179.8° |
| C1 | C2 | C3 | C4 | 178.2° | 180.0° |
| C1 | C2 | C7 | C6 | 178.2° | 179.8° |
| C2 | C1 | N11 | H11 | 2.2° | 0.0° |
| C1 | C2 | C3 | H3 | 1.7° | 0.0° |
| C1 | C2 | C7 | H7 | 1.8° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C3 | C2 | C7 | C6 | 2.2° | 0.5° |
| C3 | C2 | C7 | H7 | 177.8° | 179.8° |
| C2 | C3 | C4 | H4 | 179.1° | 180.0° |
| C7 | C2 | C3 | C4 | 2.1° | 0.2° |
| C2 | C7 | C6 | C5 | 1.0° | 0.5° |
| C2 | C7 | C6 | H7 | 180.0° | 179.8° |
| C7 | C2 | C3 | H3 | 177.9° | 179.8° |
| C2 | C7 | C6 | H6 | 179.0° | 179.7° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H5 | 179.8° | 179.9° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 0.1° | 0.2° |
| C5 | C4 | C3 | H3 | 179.0° | 180.0° |
| C4 | C5 | C6 | H6 | 179.9° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.8° |
| C5 | C6 | C7 | H7 | 178.9° | 179.7° |
| C6 | C5 | C4 | H4 | 179.8° | 180.0° |
| C7 | C6 | C5 | H5 | 179.9° | 179.8° |
| H20 | C20 | C21 | H21 | 0.1° | 0.4° |
| H21 | C21 | C22 | H22 | 0.7° | 0.0° |
| H22 | C22 | C23 | H23 | 0.7° | 0.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
| H3 | C3 | C4 | H4 | 0.9° | 0.0° |
| H7 | C7 | C6 | H6 | 1.1° | 0.1° |
| H4 | C4 | C5 | H5 | 0.2° | 0.1° |
| H5 | C5 | C6 | H6 | 0.1° | 0.0° |
