1G8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O26 | C25 | doub | 1.21Å | 1.22Å | |
| C25 | C15 | sing | 1.51Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.56Å | |
| C16 | C17 | sing | 1.51Å | 1.54Å | |
| C18 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | N14 | sing | 1.47Å | 1.47Å | |
| C19 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C17 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.40Å | Aromatic |
| C20 | C23 | sing | 1.51Å | 1.54Å | |
| C22 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | N24 | sing | 1.47Å | 1.49Å | |
| C15 | H32 | sing | 1.09Å | 1.10Å | |
| C16 | H33 | sing | 1.09Å | 1.10Å | |
| C16 | H34 | sing | 1.09Å | 1.10Å | |
| C22 | H35 | sing | 1.08Å | 1.08Å | |
| C21 | H36 | sing | 1.08Å | 1.08Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C23 | H38 | sing | 1.09Å | 1.10Å | |
| N24 | H39 | sing | 1.01Å | 1.00Å | |
| N24 | H40 | sing | 1.01Å | 1.00Å | |
| C19 | H42 | sing | 1.08Å | 1.08Å | |
| C18 | H43 | sing | 1.08Å | 1.08Å | |
| N14 | H44 | sing | 1.01Å | 1.00Å | |
| C25 | OXT | sing | 1.34Å | 139.08Å | |
| OXT | HXT | sing | 0.97Å | 0.00Å | |
| N14 | H2 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O26 | C25 | C15 | 112.6° | 120.0° |
| O26 | C25 | OXT | 37.7° | 120.0° |
| C25 | C15 | C16 | 114.1° | 109.5° |
| C25 | C15 | N14 | 116.2° | 109.5° |
| C25 | C15 | H32 | 105.0° | 109.5° |
| C15 | C25 | OXT | 84.4° | 120.0° |
| C15 | C16 | C17 | 115.1° | 109.5° |
| C16 | C15 | N14 | 110.0° | 109.5° |
| C16 | C15 | H32 | 104.7° | 109.4° |
| C15 | C16 | H33 | 108.0° | 109.5° |
| C15 | C16 | H34 | 108.0° | 109.5° |
| C16 | C17 | C18 | 120.2° | 120.0° |
| C16 | C17 | C22 | 120.7° | 120.0° |
| C17 | C16 | H33 | 108.1° | 109.5° |
| C17 | C16 | H34 | 108.1° | 109.5° |
| C19 | C18 | C17 | 120.4° | 120.0° |
| C18 | C19 | C20 | 120.4° | 120.0° |
| C18 | C19 | H42 | 119.8° | 120.0° |
| C19 | C18 | H43 | 119.8° | 120.0° |
| C18 | C17 | C22 | 119.1° | 120.0° |
| C17 | C18 | H43 | 119.8° | 120.0° |
| N14 | C15 | H32 | 105.7° | 109.4° |
| C15 | N14 | H44 | 109.5° | 111.0° |
| C15 | N14 | H2 | 109.5° | 111.0° |
| C19 | C20 | C21 | 119.3° | 120.0° |
| C19 | C20 | C23 | 120.6° | 120.0° |
| C20 | C19 | H42 | 119.8° | 120.0° |
| C17 | C22 | C21 | 120.6° | 120.0° |
| C17 | C22 | H35 | 119.7° | 120.0° |
| C21 | C20 | C23 | 120.1° | 120.0° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C20 | C21 | H36 | 119.9° | 120.0° |
| C20 | C23 | N24 | 111.5° | 109.4° |
| C20 | C23 | H37 | 109.0° | 109.5° |
| C20 | C23 | H38 | 109.0° | 109.5° |
| C21 | C22 | H35 | 119.7° | 119.9° |
| C22 | C21 | H36 | 119.9° | 120.0° |
| N24 | C23 | H37 | 109.0° | 109.5° |
| N24 | C23 | H38 | 109.0° | 109.5° |
| C23 | N24 | H39 | 109.5° | 111.0° |
| C23 | N24 | H40 | 109.5° | 111.0° |
| H33 | C16 | H34 | 109.4° | 109.4° |
| H37 | C23 | H38 | 109.4° | 109.5° |
| H39 | N24 | H40 | 109.5° | 111.0° |
| H44 | N14 | H2 | 109.4° | 111.0° |
| C25 | OXT | HXT | 90.0° | 117.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O26 | C25 | C15 | OXT | 25.5° | 179.8° |
| O26 | C25 | C15 | C16 | 158.9° | 100.3° |
| O26 | C25 | C15 | N14 | 71.5° | 19.8° |
| O26 | C25 | C15 | H32 | 44.8° | 139.8° |
| O26 | C25 | OXT | HXT | 90.0° | 0.3° |
| C25 | C15 | C16 | N14 | 132.6° | 120.0° |
| C25 | C15 | C16 | H32 | 114.3° | 120.0° |
| C25 | C15 | C16 | C17 | 157.8° | 175.0° |
| C25 | C15 | N14 | H32 | 116.0° | 120.0° |
| C25 | C15 | C16 | H33 | 37.0° | 55.0° |
| C25 | C15 | C16 | H34 | 81.4° | 65.0° |
| C25 | C15 | N14 | H44 | 180.0° | 176.0° |
| C15 | C25 | OXT | HXT | 90.0° | 180.0° |
| C25 | C15 | N14 | H2 | 60.0° | 60.0° |
| C15 | C16 | C17 | H33 | 120.8° | 120.0° |
| C15 | C16 | C17 | H34 | 120.8° | 120.0° |
| C15 | C16 | C17 | C18 | 63.6° | 90.3° |
| C16 | C15 | N14 | H32 | 112.4° | 119.9° |
| C15 | C16 | C17 | C22 | 116.7° | 90.0° |
| C15 | C16 | H33 | H34 | 117.4° | 120.0° |
| C16 | C15 | N14 | H44 | 48.4° | 63.9° |
| C16 | C15 | C25 | OXT | 133.4° | 80.0° |
| C16 | C15 | N14 | H2 | 71.6° | 60.1° |
| C16 | C17 | C18 | C19 | 180.0° | 179.8° |
| C16 | C17 | C18 | C22 | 179.7° | 179.7° |
| C17 | C16 | C15 | N14 | 69.6° | 65.0° |
| C16 | C17 | C22 | C21 | 180.0° | 180.0° |
| C17 | C16 | C15 | H32 | 43.5° | 55.0° |
| C17 | C16 | H33 | H34 | 117.4° | 120.0° |
| C16 | C17 | C22 | H35 | 0.0° | 0.0° |
| C16 | C17 | C18 | H43 | 0.0° | 0.2° |
| C19 | C18 | C17 | H43 | 180.0° | 179.6° |
| C18 | C19 | C20 | H42 | 180.0° | 179.7° |
| C19 | C18 | C17 | C22 | 0.3° | 0.5° |
| C18 | C19 | C20 | C21 | 0.1° | 0.2° |
| C18 | C19 | C20 | C23 | 180.0° | 179.8° |
| C17 | C18 | C19 | C20 | 0.2° | 0.5° |
| C18 | C17 | C22 | C21 | 0.4° | 0.3° |
| C18 | C17 | C16 | H33 | 57.2° | 149.7° |
| C18 | C17 | C16 | H34 | 175.5° | 29.7° |
| C18 | C17 | C22 | H35 | 179.7° | 179.8° |
| C17 | C18 | C19 | H42 | 179.8° | 179.8° |
| N14 | C15 | C16 | H33 | 169.6° | 175.0° |
| N14 | C15 | C16 | H34 | 51.2° | 55.0° |
| C15 | N14 | H44 | H2 | 120.0° | 124.0° |
| N14 | C15 | C25 | OXT | 97.0° | 160.0° |
| C19 | C20 | C21 | C23 | 179.8° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.0° |
| C19 | C20 | C23 | N24 | 143.8° | 90.0° |
| C19 | C20 | C21 | H36 | 179.8° | 180.0° |
| C19 | C20 | C23 | H37 | 95.9° | 30.0° |
| C19 | C20 | C23 | H38 | 23.5° | 150.0° |
| C20 | C19 | C18 | H43 | 179.8° | 180.0° |
| C17 | C22 | C21 | C20 | 0.3° | 0.0° |
| C17 | C22 | C21 | H35 | 180.0° | 180.0° |
| C22 | C17 | C16 | H33 | 122.5° | 30.0° |
| C22 | C17 | C16 | H34 | 4.1° | 150.0° |
| C17 | C22 | C21 | H36 | 179.7° | 180.0° |
| C22 | C17 | C18 | H43 | 179.7° | 179.9° |
| C20 | C21 | C22 | H36 | 180.0° | 180.0° |
| C21 | C20 | C23 | N24 | 36.4° | 90.0° |
| C20 | C21 | C22 | H35 | 179.7° | 180.0° |
| C21 | C20 | C23 | H37 | 83.9° | 150.0° |
| C21 | C20 | C23 | H38 | 156.7° | 30.0° |
| C21 | C20 | C19 | H42 | 179.9° | 179.9° |
| C23 | C20 | C21 | C22 | 180.0° | 180.0° |
| C20 | C23 | N24 | H37 | 120.3° | 120.0° |
| C20 | C23 | N24 | H38 | 120.3° | 120.0° |
| C23 | C20 | C21 | H36 | 0.0° | 0.0° |
| C20 | C23 | H37 | H38 | 119.1° | 120.0° |
| C20 | C23 | N24 | H39 | 180.0° | 56.1° |
| C20 | C23 | N24 | H40 | 60.0° | 180.0° |
| C23 | C20 | C19 | H42 | 0.0° | 0.1° |
| N24 | C23 | H37 | H38 | 119.1° | 120.0° |
| C23 | N24 | H39 | H40 | 120.0° | 123.9° |
| H32 | C15 | C16 | H33 | 77.3° | 65.0° |
| H32 | C15 | C16 | H34 | 164.3° | 175.0° |
| H32 | C15 | N14 | H44 | 64.0° | 56.0° |
| H32 | C15 | C25 | OXT | 19.3° | 40.0° |
| H32 | C15 | N14 | H2 | 176.0° | 180.0° |
| H35 | C22 | C21 | H36 | 0.3° | 0.0° |
| H37 | C23 | N24 | H39 | 59.7° | 63.9° |
| H37 | C23 | N24 | H40 | 179.7° | 60.0° |
| H38 | C23 | N24 | H39 | 59.7° | 176.1° |
| H38 | C23 | N24 | H40 | 60.4° | 60.0° |
| H42 | C19 | C18 | H43 | 0.2° | 0.2° |
