HGF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3 | N1 | sing | 1.38Å | 1.35Å | Aromatic |
| N1 | C39 | sing | 1.34Å | 1.31Å | Aromatic |
| C4 | C3 | doub | 1.41Å | 1.41Å | Aromatic |
| C3 | C37 | sing | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.44Å | Aromatic |
| C10 | C4 | sing | 1.40Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.40Å | 1.41Å | Aromatic |
| C5 | C33 | doub | 1.41Å | 1.43Å | Aromatic |
| N8 | C6 | doub | 1.31Å | 1.37Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N8 | C9 | sing | 1.33Å | 1.37Å | Aromatic |
| C12 | C9 | sing | 1.48Å | 1.49Å | Aromatic |
| C9 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C13 | C12 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C19 | sing | 1.40Å | 1.41Å | Aromatic |
| N15 | C13 | sing | 1.32Å | 1.37Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| N15 | C16 | doub | 1.32Å | 1.37Å | Aromatic |
| C16 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C18 | O21 | sing | 1.36Å | 1.41Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| O21 | C22 | sing | 1.43Å | 1.44Å | |
| C22 | C25 | sing | 1.53Å | 1.55Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C25 | O28 | sing | 1.43Å | 1.44Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| O28 | C29 | sing | 1.43Å | 1.44Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C33 | C35 | sing | 1.36Å | 1.42Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.08Å | |
| C35 | C37 | doub | 1.41Å | 1.41Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C37 | C38 | sing | 1.46Å | 1.51Å | Aromatic |
| C38 | C39 | doub | 1.38Å | 1.35Å | Aromatic |
| C38 | C48 | sing | 1.47Å | 1.49Å | |
| C39 | C40 | sing | 1.51Å | 1.52Å | |
| C40 | C43 | sing | 1.53Å | 1.57Å | |
| C40 | H40 | sing | 1.09Å | 1.10Å | |
| C40 | H40A | sing | 1.09Å | 1.10Å | |
| N46 | C43 | sing | 1.46Å | 1.48Å | |
| C43 | H43 | sing | 1.09Å | 1.10Å | |
| C43 | H43A | sing | 1.09Å | 1.10Å | |
| C48 | N46 | sing | 1.36Å | 1.36Å | |
| N46 | HN46 | sing | 0.97Å | 1.00Å | |
| O49 | C48 | doub | 1.22Å | 1.22Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C39 | 111.6° | 110.4° |
| N1 | C3 | C4 | 129.4° | 133.0° |
| N1 | C3 | C37 | 109.3° | 108.0° |
| C3 | N1 | HN1 | 124.2° | 124.8° |
| N1 | C39 | C38 | 110.4° | 109.1° |
| N1 | C39 | C40 | 126.2° | 130.1° |
| C39 | N1 | HN1 | 124.2° | 124.8° |
| C4 | C3 | C37 | 121.4° | 119.0° |
| C3 | C4 | C5 | 117.5° | 119.6° |
| C3 | C4 | C10 | 122.0° | 122.0° |
| C3 | C37 | C35 | 121.8° | 120.3° |
| C3 | C37 | C38 | 102.3° | 105.4° |
| C5 | C4 | C10 | 120.5° | 118.4° |
| C4 | C5 | C6 | 117.6° | 118.8° |
| C4 | C5 | C33 | 120.8° | 119.7° |
| C4 | C10 | C9 | 119.3° | 118.6° |
| C4 | C10 | H10 | 120.4° | 120.7° |
| C6 | C5 | C33 | 121.6° | 121.5° |
| C5 | C6 | N8 | 120.0° | 120.3° |
| C5 | C6 | H6 | 120.0° | 119.8° |
| C5 | C33 | C35 | 120.5° | 120.2° |
| C5 | C33 | H33 | 119.8° | 119.9° |
| N8 | C6 | H6 | 120.0° | 119.8° |
| C6 | N8 | C9 | 123.5° | 122.6° |
| N8 | C9 | C12 | 119.6° | 119.3° |
| N8 | C9 | C10 | 119.0° | 121.3° |
| C12 | C9 | C10 | 121.4° | 119.3° |
| C9 | C12 | C13 | 122.3° | 120.5° |
| C9 | C12 | C19 | 120.4° | 120.5° |
| C9 | C10 | H10 | 120.3° | 120.7° |
| C13 | C12 | C19 | 117.3° | 119.0° |
| C12 | C13 | N15 | 119.7° | 120.7° |
| C12 | C13 | H13 | 120.2° | 119.7° |
| C12 | C19 | C18 | 122.8° | 118.3° |
| C12 | C19 | H19 | 118.6° | 120.9° |
| N15 | C13 | H13 | 120.1° | 119.6° |
| C13 | N15 | C16 | 123.4° | 121.9° |
| N15 | C16 | C18 | 119.7° | 121.0° |
| N15 | C16 | H16 | 120.1° | 119.5° |
| C18 | C16 | H16 | 120.2° | 119.5° |
| C16 | C18 | C19 | 117.1° | 119.1° |
| C16 | C18 | O21 | 123.8° | 120.4° |
| C19 | C18 | O21 | 119.2° | 120.4° |
| C18 | C19 | H19 | 118.6° | 120.8° |
| C18 | O21 | C22 | 123.1° | 117.0° |
| O21 | C22 | C25 | 109.7° | 109.4° |
| O21 | C22 | H22 | 109.4° | 109.5° |
| O21 | C22 | H22A | 109.4° | 109.5° |
| C25 | C22 | H22 | 109.4° | 109.4° |
| C25 | C22 | H22A | 109.4° | 109.5° |
| C22 | C25 | O28 | 109.1° | 109.5° |
| C22 | C25 | H25 | 109.6° | 109.4° |
| C22 | C25 | H25A | 109.6° | 109.4° |
| H22 | C22 | H22A | 109.6° | 109.5° |
| O28 | C25 | H25 | 109.6° | 109.5° |
| O28 | C25 | H25A | 109.6° | 109.5° |
| C25 | O28 | C29 | 113.6° | 114.0° |
| H25 | C25 | H25A | 109.4° | 109.5° |
| O28 | C29 | H29 | 109.5° | 109.5° |
| O28 | C29 | H29A | 109.5° | 109.5° |
| O28 | C29 | H29B | 109.5° | 109.5° |
| H29 | C29 | H29A | 109.4° | 109.5° |
| H29 | C29 | H29B | 109.4° | 109.4° |
| H29A | C29 | H29B | 109.5° | 109.4° |
| C35 | C33 | H33 | 119.7° | 119.9° |
| C33 | C35 | C37 | 118.1° | 121.1° |
| C33 | C35 | H35 | 121.0° | 119.5° |
| C37 | C35 | H35 | 121.0° | 119.4° |
| C35 | C37 | C38 | 135.9° | 134.3° |
| C37 | C38 | C39 | 106.4° | 107.1° |
| C37 | C38 | C48 | 132.0° | 131.7° |
| C39 | C38 | C48 | 121.7° | 121.2° |
| C38 | C39 | C40 | 123.4° | 120.8° |
| C38 | C48 | N46 | 118.2° | 116.7° |
| C38 | C48 | O49 | 120.7° | 121.7° |
| C39 | C40 | C43 | 111.7° | 108.9° |
| C39 | C40 | H40 | 108.7° | 109.6° |
| C39 | C40 | H40A | 108.7° | 109.6° |
| C43 | C40 | H40 | 108.8° | 109.5° |
| C43 | C40 | H40A | 108.8° | 109.6° |
| C40 | C43 | N46 | 116.1° | 112.8° |
| C40 | C43 | H43 | 107.3° | 108.8° |
| C40 | C43 | H43A | 107.3° | 108.8° |
| H40 | C40 | H40A | 110.2° | 109.7° |
| N46 | C43 | H43 | 107.3° | 108.8° |
| N46 | C43 | H43A | 107.3° | 108.7° |
| C43 | N46 | C48 | 123.4° | 122.4° |
| C43 | N46 | HN46 | 118.3° | 118.8° |
| H43 | C43 | H43A | 111.5° | 108.8° |
| C48 | N46 | HN46 | 118.3° | 118.8° |
| N46 | C48 | O49 | 121.1° | 121.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | C39 | HN1 | 180.0° | 179.8° |
| N1 | C3 | C4 | C37 | 180.0° | 179.9° |
| N1 | C3 | C4 | C5 | 179.1° | 180.0° |
| N1 | C3 | C4 | C10 | 1.0° | 0.1° |
| N1 | C3 | C37 | C35 | 179.2° | 179.9° |
| N1 | C3 | C37 | C38 | 0.9° | 0.2° |
| C3 | N1 | C39 | C38 | 0.3° | 0.2° |
| C3 | N1 | C39 | C40 | 180.0° | 179.9° |
| C39 | N1 | C3 | C4 | 179.6° | 179.7° |
| C39 | N1 | C3 | C37 | 0.5° | 0.2° |
| N1 | C39 | C38 | C37 | 0.8° | 0.1° |
| N1 | C39 | C38 | C40 | 179.7° | 179.9° |
| N1 | C39 | C38 | C48 | 178.9° | 179.8° |
| N1 | C39 | C40 | C43 | 162.8° | 150.6° |
| N1 | C39 | C40 | H40 | 77.2° | 89.6° |
| N1 | C39 | C40 | H40A | 42.8° | 30.7° |
| C3 | C4 | C5 | C10 | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 179.7° | 179.9° |
| C3 | C4 | C5 | C33 | 0.3° | 0.1° |
| C3 | C4 | C10 | C9 | 179.9° | 180.0° |
| C3 | C4 | C10 | H10 | 0.1° | 0.1° |
| C4 | C3 | C37 | C35 | 0.8° | 0.2° |
| C4 | C3 | C37 | C38 | 179.1° | 179.8° |
| C4 | C3 | N1 | HN1 | 0.4° | 0.5° |
| C37 | C3 | C4 | C5 | 0.8° | 0.1° |
| C37 | C3 | C4 | C10 | 179.1° | 179.9° |
| C3 | C37 | C35 | C33 | 0.3° | 0.1° |
| C3 | C37 | C35 | C38 | 179.9° | 179.9° |
| C3 | C37 | C35 | H35 | 179.8° | 179.8° |
| C3 | C37 | C38 | C39 | 1.1° | 0.1° |
| C3 | C37 | C38 | C48 | 178.6° | 179.9° |
| C37 | C3 | N1 | HN1 | 179.5° | 179.6° |
| C4 | C5 | C6 | C33 | 179.9° | 180.0° |
| C4 | C5 | C6 | N8 | 0.4° | 0.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| C5 | C4 | C10 | C9 | 0.0° | 0.0° |
| C5 | C4 | C10 | H10 | 180.0° | 180.0° |
| C4 | C5 | C33 | C35 | 0.2° | 0.1° |
| C4 | C5 | C33 | H33 | 179.8° | 179.9° |
| C10 | C4 | C5 | C6 | 0.4° | 0.0° |
| C10 | C4 | C5 | C33 | 179.6° | 180.0° |
| C4 | C10 | C9 | N8 | 0.3° | 0.0° |
| C4 | C10 | C9 | C12 | 179.6° | 180.0° |
| C4 | C10 | C9 | H10 | 180.0° | 180.0° |
| C5 | C6 | N8 | H6 | 180.0° | 180.0° |
| C5 | C6 | N8 | C9 | 0.0° | 0.0° |
| C6 | C5 | C33 | C35 | 179.7° | 179.8° |
| C6 | C5 | C33 | H33 | 0.3° | 0.1° |
| C33 | C5 | C6 | N8 | 179.6° | 180.0° |
| C33 | C5 | C6 | H6 | 0.4° | 0.0° |
| C5 | C33 | C35 | H33 | 180.0° | 179.9° |
| C5 | C33 | C35 | C37 | 0.2° | 0.1° |
| C5 | C33 | C35 | H35 | 179.7° | 180.0° |
| C6 | N8 | C9 | C12 | 179.6° | 180.0° |
| C6 | N8 | C9 | C10 | 0.4° | 0.1° |
| H6 | C6 | N8 | C9 | 180.0° | 180.0° |
| N8 | C9 | C12 | C10 | 179.9° | 180.0° |
| N8 | C9 | C10 | H10 | 179.6° | 180.0° |
| N8 | C9 | C12 | C13 | 29.5° | 179.7° |
| N8 | C9 | C12 | C19 | 150.6° | 0.1° |
| C12 | C9 | C10 | H10 | 0.4° | 0.0° |
| C9 | C12 | C13 | C19 | 179.9° | 179.7° |
| C9 | C12 | C13 | N15 | 179.9° | 180.0° |
| C9 | C12 | C13 | H13 | 0.0° | 0.0° |
| C9 | C12 | C19 | C18 | 179.9° | 179.7° |
| C9 | C12 | C19 | H19 | 0.1° | 0.1° |
| C10 | C9 | C12 | C13 | 150.4° | 0.3° |
| C10 | C9 | C12 | C19 | 29.5° | 180.0° |
| C12 | C13 | N15 | H13 | 180.0° | 180.0° |
| C12 | C13 | N15 | C16 | 0.1° | 0.0° |
| C13 | C12 | C19 | C18 | 0.0° | 0.6° |
| C13 | C12 | C19 | H19 | 180.0° | 179.8° |
| C19 | C12 | C13 | N15 | 0.1° | 0.3° |
| C19 | C12 | C13 | H13 | 179.9° | 179.7° |
| C12 | C19 | C18 | C16 | 0.0° | 0.6° |
| C12 | C19 | C18 | H19 | 180.0° | 179.6° |
| C12 | C19 | C18 | O21 | 180.0° | 179.7° |
| C13 | N15 | C16 | C18 | 0.1° | 0.0° |
| C13 | N15 | C16 | H16 | 179.9° | 179.9° |
| H13 | C13 | N15 | C16 | 179.9° | 180.0° |
| N15 | C16 | C18 | H16 | 180.0° | 180.0° |
| N15 | C16 | C18 | C19 | 0.0° | 0.3° |
| N15 | C16 | C18 | O21 | 180.0° | 180.0° |
| C16 | C18 | C19 | O21 | 180.0° | 179.7° |
| C16 | C18 | C19 | H19 | 180.0° | 179.8° |
| C16 | C18 | O21 | C22 | 123.3° | 0.0° |
| H16 | C16 | C18 | C19 | 180.0° | 179.6° |
| H16 | C16 | C18 | O21 | 0.0° | 0.0° |
| C19 | C18 | O21 | C22 | 56.7° | 179.7° |
| O21 | C18 | C19 | H19 | 0.0° | 0.1° |
| C18 | O21 | C22 | C25 | 161.0° | 180.0° |
| C18 | O21 | C22 | H22 | 79.1° | 60.0° |
| C18 | O21 | C22 | H22A | 41.0° | 60.0° |
| O21 | C22 | C25 | H22 | 120.0° | 120.0° |
| O21 | C22 | C25 | H22A | 120.0° | 120.0° |
| O21 | C22 | H22 | H22A | 119.9° | 120.0° |
| O21 | C22 | C25 | O28 | 78.3° | 65.0° |
| O21 | C22 | C25 | H25 | 41.7° | 175.0° |
| O21 | C22 | C25 | H25A | 161.7° | 55.0° |
| C25 | C22 | H22 | H22A | 119.9° | 120.0° |
| C22 | C25 | O28 | H25 | 120.0° | 119.9° |
| C22 | C25 | O28 | H25A | 120.0° | 120.0° |
| C22 | C25 | H25 | H25A | 120.2° | 120.0° |
| C22 | C25 | O28 | C29 | 140.2° | 180.0° |
| H22 | C22 | C25 | O28 | 161.8° | 54.9° |
| H22 | C22 | C25 | H25 | 78.3° | 65.0° |
| H22 | C22 | C25 | H25A | 41.8° | 175.0° |
| H22A | C22 | C25 | O28 | 41.7° | 175.0° |
| H22A | C22 | C25 | H25 | 161.7° | 55.0° |
| H22A | C22 | C25 | H25A | 78.3° | 65.0° |
| O28 | C25 | H25 | H25A | 120.1° | 120.1° |
| C25 | O28 | C29 | H29 | 180.0° | 60.1° |
| C25 | O28 | C29 | H29A | 60.0° | 60.0° |
| C25 | O28 | C29 | H29B | 60.0° | 180.0° |
| H25 | C25 | O28 | C29 | 20.2° | 60.1° |
| H25A | C25 | O28 | C29 | 99.8° | 60.0° |
| O28 | C29 | H29 | H29A | 120.0° | 120.1° |
| O28 | C29 | H29 | H29B | 120.0° | 120.0° |
| O28 | C29 | H29A | H29B | 120.0° | 120.0° |
| H29 | C29 | H29A | H29B | 120.0° | 119.9° |
| C33 | C35 | C37 | H35 | 180.0° | 179.9° |
| C33 | C35 | C37 | C38 | 179.7° | 179.8° |
| H33 | C33 | C35 | C37 | 179.7° | 180.0° |
| H33 | C33 | C35 | H35 | 0.3° | 0.1° |
| C35 | C37 | C38 | C39 | 179.0° | 180.0° |
| C35 | C37 | C38 | C48 | 1.3° | 0.1° |
| H35 | C35 | C37 | C38 | 0.3° | 0.2° |
| C37 | C38 | C39 | C48 | 179.7° | 179.9° |
| C37 | C38 | C39 | C40 | 179.5° | 180.0° |
| C37 | C38 | C48 | N46 | 169.8° | 166.8° |
| C37 | C38 | C48 | O49 | 10.5° | 13.1° |
| C38 | C39 | C40 | C43 | 17.5° | 29.5° |
| C38 | C39 | C40 | H40 | 102.5° | 90.2° |
| C38 | C39 | C40 | H40A | 137.5° | 149.4° |
| C39 | C38 | C48 | N46 | 10.6° | 13.3° |
| C39 | C38 | C48 | O49 | 169.1° | 166.8° |
| C38 | C39 | N1 | HN1 | 179.7° | 179.6° |
| C48 | C38 | C39 | C40 | 0.8° | 0.1° |
| C38 | C48 | N46 | C43 | 0.6° | 7.2° |
| C38 | C48 | N46 | O49 | 179.7° | 179.9° |
| C38 | C48 | N46 | HN46 | 179.4° | 172.4° |
| C39 | C40 | C43 | H40 | 120.0° | 119.8° |
| C39 | C40 | C43 | H40A | 120.0° | 119.8° |
| C39 | C40 | H40 | H40A | 119.1° | 120.3° |
| C39 | C40 | C43 | N46 | 26.5° | 46.5° |
| C39 | C40 | C43 | H43 | 146.5° | 167.3° |
| C39 | C40 | C43 | H43A | 93.5° | 74.2° |
| C40 | C39 | N1 | HN1 | 0.0° | 0.3° |
| C43 | C40 | H40 | H40A | 119.1° | 120.3° |
| C40 | C43 | N46 | H43 | 120.0° | 120.8° |
| C40 | C43 | N46 | H43A | 120.0° | 120.8° |
| C40 | C43 | H43 | H43A | 117.3° | 118.4° |
| C40 | C43 | N46 | C48 | 19.7° | 38.4° |
| C40 | C43 | N46 | HN46 | 160.3° | 141.2° |
| H40 | C40 | C43 | N46 | 93.5° | 73.3° |
| H40 | C40 | C43 | H43 | 26.5° | 47.5° |
| H40 | C40 | C43 | H43A | 146.5° | 166.0° |
| H40A | C40 | C43 | N46 | 146.5° | 166.3° |
| H40A | C40 | C43 | H43 | 93.6° | 72.8° |
| H40A | C40 | C43 | H43A | 26.5° | 45.6° |
| N46 | C43 | H43 | H43A | 117.3° | 118.3° |
| C43 | N46 | C48 | HN46 | 180.0° | 179.7° |
| C43 | N46 | C48 | O49 | 179.7° | 172.6° |
| H43 | C43 | N46 | C48 | 139.6° | 159.2° |
| H43 | C43 | N46 | HN46 | 40.3° | 20.4° |
| H43A | C43 | N46 | C48 | 100.3° | 82.4° |
| H43A | C43 | N46 | HN46 | 79.7° | 98.0° |
| HN46 | N46 | C48 | O49 | 0.3° | 7.7° |
