GDH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C13 | C12 | sing | 1.51Å | 1.50Å | |
| C15 | N16 | sing | 1.32Å | 1.34Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.38Å | Aromatic |
| N16 | C10 | doub | 1.32Å | 1.34Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.51Å | 1.50Å | |
| C9 | O8 | sing | 1.43Å | 1.43Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.51Å | 1.51Å | |
| N24 | C23 | sing | 1.45Å | 1.47Å | |
| N24 | C25 | sing | 1.45Å | 1.46Å | |
| C26 | C27 | sing | 1.51Å | 1.51Å | |
| C26 | C25 | sing | 1.53Å | 1.52Å | |
| O8 | C7 | sing | 1.36Å | 1.38Å | |
| C21 | C27 | doub | 1.37Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.38Å | Aromatic |
| C28 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C7 | C17 | sing | 1.40Å | 1.38Å | Aromatic |
| C18 | C17 | sing | 1.48Å | 1.46Å | |
| C6 | C5 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | O2 | sing | 1.36Å | 1.39Å | |
| O2 | C1 | sing | 1.43Å | 1.44Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.08Å | 1.08Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.08Å | 1.08Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C26 | H11 | sing | 1.09Å | 1.10Å | |
| C26 | H12 | sing | 1.09Å | 1.10Å | |
| C28 | H13 | sing | 1.08Å | 1.08Å | |
| C1 | H14 | sing | 1.09Å | 1.10Å | |
| C1 | H15 | sing | 1.09Å | 1.10Å | |
| C1 | H16 | sing | 1.09Å | 1.10Å | |
| C9 | H17 | sing | 1.09Å | 1.10Å | |
| C9 | H18 | sing | 1.09Å | 1.10Å | |
| C11 | H19 | sing | 1.08Å | 1.08Å | |
| C14 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H21 | sing | 1.08Å | 1.08Å | |
| C23 | H22 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| N24 | H24 | sing | 1.01Å | 1.00Å | |
| C25 | H26 | sing | 1.09Å | 1.10Å | |
| C25 | H27 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C14 | C12 | 118.7° | 119.2° |
| C14 | C15 | N16 | 123.9° | 120.7° |
| C14 | C15 | H7 | 118.1° | 119.6° |
| C15 | C14 | H20 | 120.7° | 120.4° |
| C14 | C12 | C13 | 120.4° | 120.8° |
| C14 | C12 | C11 | 117.9° | 118.4° |
| C12 | C14 | H20 | 120.7° | 120.4° |
| C13 | C12 | C11 | 121.7° | 120.8° |
| C12 | C13 | H4 | 109.5° | 109.5° |
| C12 | C13 | H5 | 109.5° | 109.5° |
| C12 | C13 | H6 | 109.5° | 109.5° |
| C15 | N16 | C10 | 117.1° | 121.8° |
| N16 | C15 | H7 | 118.1° | 119.6° |
| C12 | C11 | C10 | 120.2° | 119.2° |
| C12 | C11 | H19 | 119.9° | 120.4° |
| N16 | C10 | C11 | 122.2° | 120.7° |
| N16 | C10 | C9 | 116.7° | 119.6° |
| C11 | C10 | C9 | 121.1° | 119.6° |
| C10 | C11 | H19 | 119.9° | 120.4° |
| C10 | C9 | O8 | 106.3° | 109.5° |
| C10 | C9 | H17 | 110.3° | 109.5° |
| C10 | C9 | H18 | 110.3° | 109.5° |
| C9 | O8 | C7 | 117.5° | 117.1° |
| O8 | C9 | H17 | 110.2° | 109.4° |
| O8 | C9 | H18 | 110.3° | 109.5° |
| C23 | C22 | C21 | 112.4° | 108.3° |
| C22 | C23 | N24 | 110.6° | 110.9° |
| C23 | C22 | H9 | 108.7° | 109.7° |
| C23 | C22 | H10 | 108.7° | 109.7° |
| C22 | C23 | H22 | 109.2° | 109.2° |
| C22 | C23 | H23 | 109.2° | 109.2° |
| C22 | C21 | C27 | 123.6° | 119.9° |
| C22 | C21 | C20 | 117.8° | 119.6° |
| C21 | C22 | H9 | 108.7° | 109.7° |
| C21 | C22 | H10 | 108.7° | 109.7° |
| C23 | N24 | C25 | 112.5° | 116.7° |
| N24 | C23 | H22 | 109.2° | 109.2° |
| N24 | C23 | H23 | 109.2° | 109.1° |
| C23 | N24 | H24 | 108.7° | 111.0° |
| N24 | C25 | C26 | 109.8° | 110.9° |
| C25 | N24 | H24 | 108.7° | 111.0° |
| N24 | C25 | H26 | 109.4° | 109.2° |
| N24 | C25 | H27 | 109.4° | 109.2° |
| C27 | C26 | C25 | 109.6° | 108.3° |
| C26 | C27 | C21 | 121.1° | 119.9° |
| C26 | C27 | C28 | 119.3° | 119.7° |
| C27 | C26 | H11 | 109.4° | 109.7° |
| C27 | C26 | H12 | 109.4° | 109.7° |
| C25 | C26 | H11 | 109.5° | 109.7° |
| C25 | C26 | H12 | 109.4° | 109.7° |
| C26 | C25 | H26 | 109.4° | 109.2° |
| C26 | C25 | H27 | 109.4° | 109.2° |
| O8 | C7 | C6 | 123.5° | 120.1° |
| O8 | C7 | C17 | 113.9° | 120.2° |
| C27 | C21 | C20 | 118.6° | 120.5° |
| C21 | C27 | C28 | 119.6° | 120.5° |
| C21 | C20 | C19 | 121.2° | 119.8° |
| C21 | C20 | H8 | 119.4° | 120.1° |
| C27 | C28 | C18 | 122.0° | 119.5° |
| C27 | C28 | H13 | 119.0° | 120.3° |
| C20 | C19 | C18 | 121.5° | 119.9° |
| C19 | C20 | H8 | 119.4° | 120.1° |
| C20 | C19 | H21 | 119.2° | 120.0° |
| C28 | C18 | C19 | 117.0° | 119.8° |
| C28 | C18 | C17 | 122.3° | 120.1° |
| C18 | C28 | H13 | 119.0° | 120.2° |
| C19 | C18 | C17 | 120.6° | 120.1° |
| C18 | C19 | H21 | 119.2° | 120.0° |
| C6 | C7 | C17 | 122.7° | 119.8° |
| C7 | C6 | C5 | 119.1° | 120.2° |
| C7 | C6 | H3 | 120.4° | 119.9° |
| C7 | C17 | C18 | 120.8° | 120.2° |
| C7 | C17 | C3 | 117.1° | 119.7° |
| C18 | C17 | C3 | 122.1° | 120.2° |
| C6 | C5 | C4 | 119.0° | 120.3° |
| C6 | C5 | H2 | 120.5° | 119.8° |
| C5 | C6 | H3 | 120.4° | 119.9° |
| C17 | C3 | C4 | 121.1° | 119.8° |
| C17 | C3 | O2 | 115.8° | 120.1° |
| C5 | C4 | C3 | 121.1° | 120.2° |
| C5 | C4 | H1 | 119.5° | 119.9° |
| C4 | C5 | H2 | 120.5° | 119.8° |
| C4 | C3 | O2 | 123.1° | 120.1° |
| C3 | C4 | H1 | 119.5° | 119.9° |
| C3 | O2 | C1 | 119.6° | 117.0° |
| O2 | C1 | H14 | 109.5° | 109.5° |
| O2 | C1 | H15 | 109.5° | 109.5° |
| O2 | C1 | H16 | 109.5° | 109.5° |
| H4 | C13 | H5 | 109.5° | 109.4° |
| H4 | C13 | H6 | 109.4° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.4° |
| H9 | C22 | H10 | 109.5° | 109.8° |
| H11 | C26 | H12 | 109.5° | 109.7° |
| H14 | C1 | H15 | 109.4° | 109.5° |
| H14 | C1 | H16 | 109.5° | 109.4° |
| H15 | C1 | H16 | 109.5° | 109.4° |
| H17 | C9 | H18 | 109.5° | 109.4° |
| H22 | C23 | H23 | 109.5° | 109.2° |
| H26 | C25 | H27 | 109.5° | 109.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C14 | C12 | H20 | 180.0° | 179.9° |
| C15 | C14 | C12 | C13 | 179.8° | 180.0° |
| C14 | C15 | N16 | H7 | 180.0° | 179.5° |
| C15 | C14 | C12 | C11 | 1.5° | 0.1° |
| C14 | C15 | N16 | C10 | 1.0° | 0.5° |
| C14 | C12 | C13 | C11 | 178.3° | 179.9° |
| C12 | C14 | C15 | N16 | 0.0° | 0.2° |
| C14 | C12 | C11 | C10 | 2.0° | 0.1° |
| C14 | C12 | C13 | H4 | 90.8° | 90.1° |
| C14 | C12 | C13 | H5 | 149.2° | 29.9° |
| C14 | C12 | C13 | H6 | 29.2° | 149.9° |
| C12 | C14 | C15 | H7 | 180.0° | 179.7° |
| C14 | C12 | C11 | H19 | 178.0° | 179.9° |
| C13 | C12 | C11 | C10 | 179.7° | 180.0° |
| C12 | C13 | H4 | H5 | 120.0° | 120.0° |
| C12 | C13 | H4 | H6 | 120.0° | 120.1° |
| C12 | C13 | H5 | H6 | 120.0° | 120.0° |
| C13 | C12 | C11 | H19 | 0.3° | 0.0° |
| C13 | C12 | C14 | H20 | 0.2° | 0.1° |
| C15 | N16 | C10 | C11 | 0.5° | 0.5° |
| C15 | N16 | C10 | C9 | 179.6° | 179.8° |
| N16 | C15 | C14 | H20 | 180.0° | 179.9° |
| C12 | C11 | C10 | N16 | 1.0° | 0.2° |
| C12 | C11 | C10 | H19 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 178.9° | 179.9° |
| C11 | C12 | C13 | H4 | 90.9° | 90.0° |
| C11 | C12 | C13 | H5 | 29.1° | 150.0° |
| C11 | C12 | C13 | H6 | 149.1° | 30.0° |
| C11 | C12 | C14 | H20 | 178.5° | 179.8° |
| N16 | C10 | C11 | C9 | 179.9° | 179.7° |
| N16 | C10 | C9 | O8 | 175.6° | 179.7° |
| C10 | N16 | C15 | H7 | 179.0° | 180.0° |
| N16 | C10 | C9 | H17 | 64.9° | 60.3° |
| N16 | C10 | C9 | H18 | 56.1° | 59.7° |
| N16 | C10 | C11 | H19 | 179.0° | 179.7° |
| C11 | C10 | C9 | O8 | 4.5° | 0.0° |
| C11 | C10 | C9 | H17 | 115.0° | 120.0° |
| C11 | C10 | C9 | H18 | 124.0° | 120.0° |
| C10 | C9 | O8 | H17 | 119.5° | 120.0° |
| C10 | C9 | O8 | H18 | 119.5° | 120.0° |
| C10 | C9 | O8 | C7 | 164.2° | 180.0° |
| C10 | C9 | H17 | H18 | 121.5° | 120.0° |
| C9 | C10 | C11 | H19 | 1.1° | 0.0° |
| C9 | O8 | C7 | C6 | 19.4° | 0.1° |
| C9 | O8 | C7 | C17 | 161.5° | 180.0° |
| O8 | C9 | H17 | H18 | 121.5° | 119.9° |
| C23 | C22 | C21 | H9 | 120.5° | 119.7° |
| C23 | C22 | C21 | H10 | 120.5° | 119.7° |
| C22 | C23 | N24 | H22 | 120.2° | 120.4° |
| C22 | C23 | N24 | H23 | 120.2° | 120.3° |
| C22 | C23 | N24 | C25 | 76.3° | 69.7° |
| C23 | C22 | C21 | C27 | 60.4° | 69.5° |
| C23 | C22 | C21 | C20 | 120.0° | 110.6° |
| C23 | C22 | H9 | H10 | 118.7° | 120.6° |
| C22 | C23 | H22 | H23 | 119.5° | 119.3° |
| C22 | C23 | N24 | H24 | 44.2° | 58.7° |
| C21 | C22 | C23 | N24 | 78.9° | 84.8° |
| C22 | C21 | C27 | C26 | 0.2° | 0.1° |
| C22 | C21 | C27 | C20 | 179.7° | 180.0° |
| C22 | C21 | C27 | C28 | 179.4° | 179.9° |
| C22 | C21 | C20 | C19 | 179.2° | 179.9° |
| C22 | C21 | C20 | H8 | 0.8° | 0.3° |
| C21 | C22 | H9 | H10 | 118.6° | 120.6° |
| C21 | C22 | C23 | H22 | 160.9° | 154.8° |
| C21 | C22 | C23 | H23 | 41.2° | 35.5° |
| C23 | N24 | C25 | H24 | 120.5° | 128.4° |
| C23 | N24 | C25 | C26 | 81.0° | 69.7° |
| N24 | C23 | C22 | H9 | 160.6° | 34.9° |
| N24 | C23 | C22 | H10 | 41.5° | 155.5° |
| N24 | C23 | H22 | H23 | 119.5° | 119.3° |
| C23 | N24 | C25 | H26 | 159.0° | 50.7° |
| C23 | N24 | C25 | H27 | 39.0° | 169.9° |
| N24 | C25 | C26 | C27 | 86.4° | 84.8° |
| N24 | C25 | C26 | H26 | 120.1° | 120.4° |
| N24 | C25 | C26 | H27 | 120.0° | 120.3° |
| N24 | C25 | C26 | H11 | 153.6° | 34.8° |
| N24 | C25 | C26 | H12 | 33.6° | 155.4° |
| C25 | N24 | C23 | H22 | 163.5° | 170.0° |
| C25 | N24 | C23 | H23 | 43.9° | 50.6° |
| N24 | C25 | H26 | H27 | 119.9° | 119.3° |
| C27 | C26 | C25 | H11 | 120.0° | 119.7° |
| C27 | C26 | C25 | H12 | 120.0° | 119.7° |
| C26 | C27 | C21 | C28 | 179.2° | 180.0° |
| C26 | C27 | C21 | C20 | 179.5° | 180.0° |
| C26 | C27 | C28 | C18 | 179.2° | 179.7° |
| C27 | C26 | H11 | H12 | 119.9° | 120.6° |
| C26 | C27 | C28 | H13 | 0.9° | 0.3° |
| C27 | C26 | C25 | H26 | 153.5° | 35.5° |
| C27 | C26 | C25 | H27 | 33.6° | 154.8° |
| C25 | C26 | C27 | C21 | 62.4° | 69.4° |
| C25 | C26 | C27 | C28 | 118.4° | 110.6° |
| C25 | C26 | H11 | H12 | 119.9° | 120.6° |
| C26 | C25 | N24 | H24 | 39.5° | 58.7° |
| C26 | C25 | H26 | H27 | 119.9° | 119.3° |
| O8 | C7 | C6 | C17 | 178.9° | 179.9° |
| O8 | C7 | C17 | C18 | 1.8° | 0.0° |
| O8 | C7 | C6 | C5 | 179.0° | 180.0° |
| O8 | C7 | C17 | C3 | 178.9° | 179.7° |
| O8 | C7 | C6 | H3 | 1.0° | 0.1° |
| C7 | O8 | C9 | H17 | 76.3° | 60.0° |
| C7 | O8 | C9 | H18 | 44.7° | 59.9° |
| C27 | C21 | C20 | C19 | 0.5° | 0.1° |
| C21 | C27 | C28 | C18 | 0.0° | 0.3° |
| C27 | C21 | C20 | H8 | 179.5° | 179.8° |
| C27 | C21 | C22 | H9 | 179.2° | 50.2° |
| C27 | C21 | C22 | H10 | 60.1° | 170.8° |
| C21 | C27 | C26 | H11 | 177.6° | 50.3° |
| C21 | C27 | C26 | H12 | 57.6° | 170.9° |
| C21 | C27 | C28 | H13 | 180.0° | 179.7° |
| C20 | C21 | C27 | C28 | 0.3° | 0.0° |
| C21 | C20 | C19 | H8 | 180.0° | 179.8° |
| C21 | C20 | C19 | C18 | 0.3° | 0.2° |
| C20 | C21 | C22 | H9 | 0.5° | 129.8° |
| C20 | C21 | C22 | H10 | 119.6° | 9.1° |
| C21 | C20 | C19 | H21 | 179.7° | 179.7° |
| C27 | C28 | C18 | H13 | 180.0° | 179.4° |
| C27 | C28 | C18 | C19 | 0.2° | 0.6° |
| C27 | C28 | C18 | C17 | 179.4° | 179.4° |
| C28 | C27 | C26 | H11 | 1.6° | 129.7° |
| C28 | C27 | C26 | H12 | 121.6° | 9.2° |
| C20 | C19 | C18 | C28 | 0.0° | 0.5° |
| C20 | C19 | C18 | H21 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 179.6° | 179.5° |
| C28 | C18 | C19 | C17 | 179.6° | 180.0° |
| C28 | C18 | C17 | C7 | 64.9° | 115.0° |
| C28 | C18 | C17 | C3 | 114.3° | 64.8° |
| C28 | C18 | C19 | H21 | 180.0° | 179.4° |
| C19 | C18 | C17 | C7 | 114.6° | 65.0° |
| C19 | C18 | C17 | C3 | 66.1° | 115.2° |
| C18 | C19 | C20 | H8 | 179.7° | 180.0° |
| C19 | C18 | C28 | H13 | 179.8° | 180.0° |
| C6 | C7 | C17 | C18 | 179.2° | 180.0° |
| C7 | C6 | C5 | H3 | 180.0° | 179.9° |
| C6 | C7 | C17 | C3 | 0.1° | 0.2° |
| C7 | C6 | C5 | C4 | 0.4° | 0.0° |
| C7 | C6 | C5 | H2 | 179.6° | 179.9° |
| C7 | C17 | C18 | C3 | 179.3° | 179.8° |
| C17 | C7 | C6 | C5 | 0.1° | 0.1° |
| C7 | C17 | C3 | C4 | 0.1° | 0.5° |
| C7 | C17 | C3 | O2 | 179.5° | 180.0° |
| C17 | C7 | C6 | H3 | 180.0° | 180.0° |
| C18 | C17 | C3 | C4 | 179.4° | 179.7° |
| C18 | C17 | C3 | O2 | 0.2° | 0.2° |
| C17 | C18 | C28 | H13 | 0.6° | 0.0° |
| C17 | C18 | C19 | H21 | 0.5° | 0.6° |
| C6 | C5 | C4 | H2 | 180.0° | 179.9° |
| C6 | C5 | C4 | C3 | 0.6° | 0.3° |
| C6 | C5 | C4 | H1 | 179.4° | 180.0° |
| C17 | C3 | C4 | C5 | 0.4° | 0.6° |
| C17 | C3 | C4 | O2 | 179.6° | 179.5° |
| C17 | C3 | O2 | C1 | 179.0° | 180.0° |
| C17 | C3 | C4 | H1 | 179.6° | 179.8° |
| C5 | C4 | C3 | H1 | 180.0° | 179.6° |
| C5 | C4 | C3 | O2 | 179.2° | 179.9° |
| C4 | C5 | C6 | H3 | 179.6° | 179.9° |
| C4 | C3 | O2 | C1 | 1.4° | 0.5° |
| C3 | C4 | C5 | H2 | 179.5° | 179.7° |
| O2 | C3 | C4 | H1 | 0.8° | 0.3° |
| C3 | O2 | C1 | H14 | 180.0° | 180.0° |
| C3 | O2 | C1 | H15 | 60.0° | 60.0° |
| C3 | O2 | C1 | H16 | 60.0° | 60.0° |
| O2 | C1 | H14 | H15 | 120.0° | 120.1° |
| O2 | C1 | H14 | H16 | 120.0° | 120.0° |
| O2 | C1 | H15 | H16 | 120.0° | 120.0° |
| H1 | C4 | C5 | H2 | 0.6° | 0.1° |
| H2 | C5 | C6 | H3 | 0.4° | 0.0° |
| H4 | C13 | H5 | H6 | 120.0° | 119.9° |
| H7 | C15 | C14 | H20 | 0.0° | 0.4° |
| H8 | C20 | C19 | H21 | 0.3° | 0.1° |
| H9 | C22 | C23 | H22 | 40.5° | 85.5° |
| H9 | C22 | C23 | H23 | 79.2° | 155.2° |
| H10 | C22 | C23 | H22 | 78.7° | 35.1° |
| H10 | C22 | C23 | H23 | 161.7° | 84.2° |
| H11 | C26 | C25 | H26 | 33.5° | 155.2° |
| H11 | C26 | C25 | H27 | 86.4° | 85.5° |
| H12 | C26 | C25 | H26 | 86.4° | 84.2° |
| H12 | C26 | C25 | H27 | 153.6° | 35.1° |
| H14 | C1 | H15 | H16 | 120.0° | 119.9° |
| H22 | C23 | N24 | H24 | 76.0° | 61.6° |
| H23 | C23 | N24 | H24 | 164.4° | 179.0° |
| H24 | N24 | C25 | H26 | 80.6° | 179.1° |
| H24 | N24 | C25 | H27 | 159.5° | 61.7° |
