GUC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F2 | C21 | sing | 1.35Å | 1.35Å | |
| F1 | C11 | sing | 1.35Å | 1.35Å | |
| C21 | N3 | doub | 1.32Å | 1.36Å | Aromatic |
| C21 | C17 | sing | 1.38Å | 1.48Å | Aromatic |
| C16 | C17 | sing | 1.51Å | 1.51Å | |
| C16 | C14 | sing | 1.53Å | 1.52Å | |
| N3 | C20 | sing | 1.32Å | 1.35Å | Aromatic |
| C17 | C18 | doub | 1.40Å | 1.48Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.40Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.50Å | Aromatic |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | C12 | sing | 1.51Å | 1.53Å | |
| C14 | N5 | sing | 1.46Å | 1.48Å | |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C22 | sing | 1.48Å | 1.50Å | |
| C9 | C8 | doub | 1.39Å | 1.40Å | Aromatic |
| N5 | C22 | doub | 1.30Å | 1.27Å | |
| C22 | N4 | sing | 1.38Å | 1.34Å | |
| C13 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | N2 | sing | 1.40Å | 1.35Å | |
| O | C7 | doub | 1.22Å | 1.23Å | |
| N2 | C7 | sing | 1.35Å | 1.34Å | |
| C7 | C6 | sing | 1.48Å | 1.51Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C6 | C2 | doub | 1.39Å | 1.49Å | Aromatic |
| C6 | N1 | sing | 1.33Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C5 | doub | 1.31Å | 1.35Å | Aromatic |
| C3 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.40Å | 1.39Å | Aromatic |
| C4 | C23 | sing | 1.43Å | 1.30Å | |
| C23 | N6 | trip | 1.14Å | 1.16Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C1 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| N2 | H6 | sing | 0.97Å | 1.00Å | |
| C9 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H8 | sing | 1.08Å | 1.08Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C15 | H10 | sing | 1.09Å | 1.10Å | |
| C15 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| N4 | H14 | sing | 0.97Å | 1.00Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C20 | H16 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H18 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| F2 | C21 | N3 | 122.0° | 119.8° |
| F2 | C21 | C17 | 119.6° | 119.9° |
| F1 | C11 | C10 | 118.9° | 120.0° |
| F1 | C11 | C12 | 121.4° | 119.9° |
| N3 | C21 | C17 | 118.4° | 120.3° |
| C21 | N3 | C20 | 122.8° | 122.2° |
| C21 | C17 | C16 | 122.3° | 121.9° |
| C21 | C17 | C18 | 117.7° | 119.2° |
| C17 | C16 | C14 | 108.9° | 109.7° |
| C16 | C17 | C18 | 120.0° | 118.9° |
| C17 | C16 | H17 | 109.6° | 109.4° |
| C17 | C16 | H18 | 109.6° | 109.4° |
| C16 | C14 | C15 | 106.4° | 109.0° |
| C16 | C14 | C12 | 107.7° | 109.1° |
| C16 | C14 | N5 | 110.3° | 111.4° |
| C14 | C16 | H17 | 109.6° | 109.5° |
| C14 | C16 | H18 | 109.6° | 109.5° |
| N3 | C20 | C19 | 122.6° | 121.0° |
| N3 | C20 | H16 | 118.7° | 119.5° |
| C17 | C18 | C19 | 119.1° | 118.7° |
| C17 | C18 | C22 | 117.2° | 118.8° |
| C10 | C11 | C12 | 119.7° | 120.1° |
| C11 | C10 | C9 | 120.4° | 120.0° |
| C11 | C10 | H8 | 119.8° | 120.0° |
| C11 | C12 | C14 | 122.2° | 120.0° |
| C11 | C12 | C13 | 116.4° | 120.1° |
| C15 | C14 | C12 | 109.9° | 109.1° |
| C15 | C14 | N5 | 109.1° | 109.1° |
| C14 | C15 | H10 | 109.5° | 109.5° |
| C14 | C15 | H11 | 109.4° | 109.5° |
| C14 | C15 | H12 | 109.5° | 109.5° |
| C10 | C9 | C8 | 120.3° | 120.0° |
| C10 | C9 | H7 | 119.9° | 120.0° |
| C9 | C10 | H8 | 119.8° | 120.0° |
| C12 | C14 | N5 | 113.1° | 109.1° |
| C14 | C12 | C13 | 121.3° | 119.9° |
| C14 | N5 | C22 | 125.0° | 122.2° |
| C20 | C19 | C18 | 119.5° | 118.6° |
| C20 | C19 | H15 | 120.2° | 120.7° |
| C19 | C20 | H16 | 118.7° | 119.4° |
| C12 | C13 | C8 | 122.0° | 119.9° |
| C12 | C13 | H9 | 119.0° | 120.1° |
| C19 | C18 | C22 | 123.7° | 122.5° |
| C18 | C19 | H15 | 120.3° | 120.7° |
| C18 | C22 | N5 | 118.2° | 119.7° |
| C18 | C22 | N4 | 119.5° | 120.1° |
| C9 | C8 | C13 | 121.1° | 119.9° |
| C9 | C8 | N2 | 122.0° | 120.1° |
| C8 | C9 | H7 | 119.9° | 120.0° |
| N5 | C22 | N4 | 122.3° | 120.2° |
| C22 | N4 | H13 | 120.0° | 120.0° |
| C22 | N4 | H14 | 120.0° | 120.0° |
| C13 | C8 | N2 | 116.9° | 120.0° |
| C8 | C13 | H9 | 119.0° | 120.0° |
| C8 | N2 | C7 | 126.7° | 120.0° |
| C8 | N2 | H6 | 116.7° | 120.0° |
| O | C7 | N2 | 123.9° | 120.0° |
| O | C7 | C6 | 119.7° | 120.0° |
| N2 | C7 | C6 | 116.4° | 120.0° |
| C7 | N2 | H6 | 116.6° | 120.0° |
| C7 | C6 | C2 | 123.4° | 119.5° |
| C7 | C6 | N1 | 118.4° | 119.5° |
| C1 | C2 | C6 | 122.8° | 120.4° |
| C1 | C2 | C3 | 120.0° | 120.4° |
| C2 | C1 | H1 | 109.5° | 109.5° |
| C2 | C1 | H2 | 109.5° | 109.5° |
| C2 | C1 | H3 | 109.5° | 109.5° |
| C2 | C6 | N1 | 118.1° | 120.9° |
| C6 | C2 | C3 | 117.2° | 119.2° |
| C6 | N1 | C5 | 123.2° | 121.8° |
| C2 | C3 | C4 | 121.3° | 118.4° |
| C2 | C3 | H4 | 119.4° | 120.8° |
| N1 | C5 | C4 | 121.3° | 120.7° |
| N1 | C5 | H5 | 119.4° | 119.7° |
| C3 | C4 | C5 | 118.9° | 119.0° |
| C3 | C4 | C23 | 120.3° | 120.5° |
| C4 | C3 | H4 | 119.4° | 120.8° |
| C5 | C4 | C23 | 120.7° | 120.5° |
| C4 | C5 | H5 | 119.4° | 119.7° |
| C4 | C23 | N6 | 176.2° | 180.0° |
| H1 | C1 | H2 | 109.5° | 109.4° |
| H1 | C1 | H3 | 109.5° | 109.5° |
| H2 | C1 | H3 | 109.5° | 109.5° |
| H10 | C15 | H11 | 109.5° | 109.4° |
| H10 | C15 | H12 | 109.5° | 109.4° |
| H11 | C15 | H12 | 109.5° | 109.5° |
| H13 | N4 | H14 | 120.0° | 120.0° |
| H17 | C16 | H18 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F2 | C21 | N3 | C17 | 179.8° | 180.0° |
| F2 | C21 | C17 | C16 | 0.0° | 1.5° |
| F2 | C21 | N3 | C20 | 179.7° | 179.8° |
| F2 | C21 | C17 | C18 | 179.9° | 179.4° |
| F1 | C11 | C10 | C12 | 179.9° | 179.9° |
| F1 | C11 | C10 | C9 | 179.6° | 179.9° |
| F1 | C11 | C12 | C14 | 0.5° | 0.0° |
| F1 | C11 | C12 | C13 | 179.8° | 179.8° |
| F1 | C11 | C10 | H8 | 0.4° | 0.0° |
| N3 | C21 | C17 | C16 | 179.8° | 178.5° |
| N3 | C21 | C17 | C18 | 0.3° | 0.6° |
| C21 | N3 | C20 | C19 | 0.0° | 0.4° |
| C21 | N3 | C20 | H16 | 180.0° | 179.6° |
| C21 | C17 | C16 | C18 | 179.9° | 179.1° |
| C21 | C17 | C16 | C14 | 148.6° | 147.4° |
| C17 | C21 | N3 | C20 | 0.1° | 0.2° |
| C21 | C17 | C18 | C19 | 0.7° | 1.2° |
| C21 | C17 | C18 | C22 | 179.6° | 179.7° |
| C21 | C17 | C16 | H17 | 91.5° | 92.5° |
| C21 | C17 | C16 | H18 | 28.7° | 27.3° |
| C17 | C16 | C14 | H17 | 119.9° | 120.1° |
| C17 | C16 | C14 | H18 | 119.9° | 120.1° |
| C17 | C16 | C14 | C15 | 168.0° | 71.1° |
| C17 | C16 | C14 | C12 | 74.2° | 169.9° |
| C17 | C16 | C14 | N5 | 49.8° | 49.3° |
| C16 | C17 | C18 | C19 | 179.4° | 177.9° |
| C16 | C17 | C18 | C22 | 0.5° | 1.2° |
| C17 | C16 | H17 | H18 | 120.3° | 119.8° |
| C14 | C16 | C17 | C18 | 31.5° | 33.5° |
| C16 | C14 | C12 | C11 | 65.1° | 58.0° |
| C16 | C14 | C15 | C12 | 116.3° | 119.0° |
| C16 | C14 | C15 | N5 | 119.1° | 121.9° |
| C16 | C14 | C12 | N5 | 122.2° | 122.0° |
| C16 | C14 | C12 | C13 | 114.6° | 122.2° |
| C16 | C14 | N5 | C22 | 43.8° | 36.0° |
| C16 | C14 | C15 | H10 | 180.0° | 179.1° |
| C16 | C14 | C15 | H11 | 60.0° | 61.0° |
| C16 | C14 | C15 | H12 | 60.0° | 59.1° |
| C14 | C16 | H17 | H18 | 120.3° | 119.9° |
| N3 | C20 | C19 | H16 | 180.0° | 180.0° |
| N3 | C20 | C19 | C18 | 0.4° | 0.2° |
| N3 | C20 | C19 | H15 | 179.6° | 179.7° |
| C17 | C18 | C19 | C20 | 0.7° | 1.0° |
| C17 | C18 | C19 | C22 | 178.8° | 179.1° |
| C17 | C18 | C22 | N5 | 12.2° | 17.0° |
| C17 | C18 | C22 | N4 | 168.7° | 163.0° |
| C17 | C18 | C19 | H15 | 179.3° | 178.9° |
| C18 | C17 | C16 | H17 | 88.4° | 86.6° |
| C18 | C17 | C16 | H18 | 151.4° | 153.6° |
| C11 | C10 | C9 | H8 | 180.0° | 180.0° |
| C10 | C11 | C12 | C14 | 179.7° | 180.0° |
| C10 | C11 | C12 | C13 | 0.0° | 0.3° |
| C11 | C10 | C9 | C8 | 0.3° | 0.1° |
| C11 | C10 | C9 | H7 | 179.7° | 180.0° |
| C11 | C12 | C14 | C15 | 50.5° | 61.0° |
| C12 | C11 | C10 | C9 | 0.3° | 0.0° |
| C11 | C12 | C14 | C13 | 179.7° | 179.8° |
| C11 | C12 | C14 | N5 | 172.7° | 180.0° |
| C11 | C12 | C13 | C8 | 0.2° | 0.5° |
| C12 | C11 | C10 | H8 | 179.7° | 180.0° |
| C11 | C12 | C13 | H9 | 179.8° | 180.0° |
| C15 | C14 | C12 | N5 | 122.3° | 119.0° |
| C15 | C14 | C12 | C13 | 129.9° | 118.8° |
| C15 | C14 | N5 | C22 | 160.4° | 84.4° |
| C14 | C15 | H10 | H11 | 120.0° | 120.0° |
| C14 | C15 | H10 | H12 | 120.0° | 120.0° |
| C14 | C15 | H11 | H12 | 120.0° | 120.1° |
| C15 | C14 | C16 | H17 | 48.1° | 168.8° |
| C15 | C14 | C16 | H18 | 72.1° | 49.0° |
| C10 | C9 | C8 | H7 | 180.0° | 179.9° |
| C10 | C9 | C8 | C13 | 0.2° | 0.2° |
| C10 | C9 | C8 | N2 | 179.9° | 180.0° |
| C12 | C14 | N5 | C22 | 76.9° | 156.5° |
| C14 | C12 | C13 | C8 | 179.8° | 179.7° |
| C14 | C12 | C13 | H9 | 0.1° | 0.2° |
| C12 | C14 | C15 | H10 | 63.6° | 60.0° |
| C12 | C14 | C15 | H11 | 176.3° | 180.0° |
| C12 | C14 | C15 | H12 | 56.3° | 59.9° |
| C12 | C14 | C16 | H17 | 165.9° | 49.8° |
| C12 | C14 | C16 | H18 | 45.8° | 70.1° |
| N5 | C14 | C12 | C13 | 7.6° | 0.2° |
| C14 | N5 | C22 | C18 | 10.7° | 2.0° |
| C14 | N5 | C22 | N4 | 168.4° | 178.0° |
| N5 | C14 | C15 | H10 | 61.0° | 59.1° |
| N5 | C14 | C15 | H11 | 59.0° | 60.9° |
| N5 | C14 | C15 | H12 | 179.0° | 179.0° |
| N5 | C14 | C16 | H17 | 70.1° | 70.7° |
| N5 | C14 | C16 | H18 | 169.7° | 169.4° |
| C20 | C19 | C18 | H15 | 180.0° | 179.9° |
| C20 | C19 | C18 | C22 | 179.6° | 179.9° |
| C12 | C13 | C8 | C9 | 0.1° | 0.5° |
| C12 | C13 | C8 | H9 | 180.0° | 179.5° |
| C12 | C13 | C8 | N2 | 179.8° | 179.7° |
| C19 | C18 | C22 | N5 | 166.7° | 164.0° |
| C19 | C18 | C22 | N4 | 12.5° | 16.1° |
| C18 | C19 | C20 | H16 | 179.6° | 179.7° |
| C18 | C22 | N5 | N4 | 179.1° | 180.0° |
| C18 | C22 | N4 | H13 | 179.1° | 180.0° |
| C18 | C22 | N4 | H14 | 0.9° | 0.0° |
| C22 | C18 | C19 | H15 | 0.4° | 0.2° |
| C9 | C8 | C13 | N2 | 179.9° | 179.8° |
| C9 | C8 | N2 | C7 | 12.1° | 33.1° |
| C9 | C8 | N2 | H6 | 167.9° | 146.9° |
| C8 | C9 | C10 | H8 | 179.6° | 180.0° |
| C9 | C8 | C13 | H9 | 179.9° | 180.0° |
| N5 | C22 | N4 | H13 | 0.0° | 0.0° |
| N5 | C22 | N4 | H14 | 180.0° | 180.0° |
| C22 | N4 | H13 | H14 | 180.0° | 180.0° |
| C13 | C8 | N2 | C7 | 168.0° | 147.1° |
| C13 | C8 | N2 | H6 | 12.0° | 33.0° |
| C13 | C8 | C9 | H7 | 179.9° | 179.8° |
| C8 | N2 | C7 | O | 11.5° | 5.2° |
| C8 | N2 | C7 | H6 | 180.0° | 179.9° |
| C8 | N2 | C7 | C6 | 170.9° | 174.8° |
| N2 | C8 | C9 | H7 | 0.0° | 0.1° |
| N2 | C8 | C13 | H9 | 0.2° | 0.2° |
| O | C7 | N2 | C6 | 177.6° | 180.0° |
| O | C7 | C6 | C2 | 36.7° | 5.7° |
| O | C7 | C6 | N1 | 143.7° | 174.0° |
| O | C7 | N2 | H6 | 168.5° | 174.8° |
| N2 | C7 | C6 | C2 | 145.7° | 174.3° |
| N2 | C7 | C6 | N1 | 34.0° | 6.0° |
| C7 | C6 | C2 | C1 | 0.3° | 0.0° |
| C7 | C6 | C2 | N1 | 179.7° | 179.7° |
| C7 | C6 | C2 | C3 | 180.0° | 179.7° |
| C7 | C6 | N1 | C5 | 179.9° | 179.7° |
| C6 | C7 | N2 | H6 | 9.1° | 5.1° |
| C1 | C2 | C6 | C3 | 179.7° | 179.7° |
| C1 | C2 | C6 | N1 | 179.3° | 179.7° |
| C1 | C2 | C3 | C4 | 179.1° | 180.0° |
| C2 | C1 | H1 | H2 | 120.0° | 120.0° |
| C2 | C1 | H1 | H3 | 120.0° | 120.0° |
| C2 | C1 | H2 | H3 | 120.0° | 120.1° |
| C1 | C2 | C3 | H4 | 0.9° | 0.1° |
| C2 | C6 | N1 | C5 | 0.4° | 0.6° |
| C6 | C2 | C3 | C4 | 0.7° | 0.3° |
| C6 | C2 | C1 | H1 | 89.8° | 83.4° |
| C6 | C2 | C1 | H2 | 150.2° | 36.5° |
| C6 | C2 | C1 | H3 | 30.2° | 156.5° |
| C6 | C2 | C3 | H4 | 179.4° | 179.8° |
| N1 | C6 | C2 | C3 | 0.4° | 0.6° |
| C6 | N1 | C5 | C4 | 0.7° | 0.3° |
| C6 | N1 | C5 | H5 | 179.3° | 179.8° |
| C2 | C3 | C4 | H4 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.9° | 0.0° |
| C2 | C3 | C4 | C23 | 178.1° | 180.0° |
| C3 | C2 | C1 | H1 | 89.9° | 96.9° |
| C3 | C2 | C1 | H2 | 30.1° | 143.2° |
| C3 | C2 | C1 | H3 | 150.2° | 23.2° |
| N1 | C5 | C4 | C3 | 0.9° | 0.0° |
| N1 | C5 | C4 | H5 | 180.0° | 179.9° |
| N1 | C5 | C4 | C23 | 178.1° | 180.0° |
| C3 | C4 | C5 | C23 | 177.2° | 180.0° |
| C3 | C4 | C23 | N6 | 9.1° | 29.4° |
| C3 | C4 | C5 | H5 | 179.1° | 179.9° |
| C5 | C4 | C23 | N6 | 168.1° | 150.6° |
| C5 | C4 | C3 | H4 | 179.1° | 180.0° |
| C23 | C4 | C3 | H4 | 1.9° | 0.0° |
| C23 | C4 | C5 | H5 | 1.9° | 0.0° |
| H1 | C1 | H2 | H3 | 120.0° | 120.0° |
| H7 | C9 | C10 | H8 | 0.3° | 0.1° |
| H10 | C15 | H11 | H12 | 120.0° | 120.0° |
| H15 | C19 | C20 | H16 | 0.4° | 0.3° |
