A1CBB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C3' | C2' | sing | 1.53Å | 1.51Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.38Å | Aromatic |
| N7 | C8 | doub | 1.31Å | 1.31Å | Aromatic |
| N7 | C6 | sing | 1.34Å | 1.35Å | Aromatic |
| C2' | O1' | sing | 1.45Å | 1.45Å | |
| C2' | C4' | sing | 1.53Å | 1.51Å | |
| C8 | N4 | sing | 1.35Å | 1.34Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.39Å | Aromatic |
| O1' | C1 | sing | 1.34Å | 1.32Å | |
| C9 | C6 | sing | 1.48Å | 1.46Å | |
| C9 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | N5 | doub | 1.31Å | 1.31Å | Aromatic |
| O | C1 | doub | 1.21Å | 1.21Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| N4 | N5 | sing | 1.40Å | 1.33Å | Aromatic |
| N4 | C3 | sing | 1.46Å | 1.45Å | |
| C13 | C14 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C11 | H4 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C8 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H5 | sing | 1.09Å | 1.10Å | |
| C3 | H9 | sing | 1.09Å | 1.10Å | |
| C2 | H11 | sing | 1.09Å | 1.10Å | |
| C2 | H10 | sing | 1.09Å | 1.10Å | |
| C2' | H12 | sing | 1.09Å | 1.10Å | |
| C4' | H15 | sing | 1.09Å | 1.10Å | |
| C4' | H13 | sing | 1.09Å | 1.10Å | |
| C4' | H14 | sing | 1.09Å | 1.10Å | |
| C3' | H17 | sing | 1.09Å | 1.10Å | |
| C3' | H18 | sing | 1.09Å | 1.10Å | |
| C3' | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3' | C2' | O1' | 108.3° | 109.5° |
| C3' | C2' | C4' | 112.7° | 109.4° |
| C3' | C2' | H12 | 108.6° | 109.5° |
| C2' | C3' | H17 | 109.5° | 109.5° |
| C2' | C3' | H18 | 109.5° | 109.5° |
| C2' | C3' | H16 | 109.5° | 109.5° |
| C10 | C11 | C12 | 119.7° | 120.1° |
| C11 | C10 | C9 | 120.7° | 119.9° |
| C10 | C11 | H4 | 120.1° | 119.9° |
| C11 | C10 | H6 | 119.7° | 120.0° |
| C11 | C12 | C13 | 119.1° | 120.3° |
| C11 | C12 | H2 | 120.4° | 119.9° |
| C12 | C11 | H4 | 120.2° | 120.0° |
| C10 | C9 | C6 | 120.2° | 120.1° |
| C10 | C9 | C14 | 120.0° | 119.8° |
| C9 | C10 | H6 | 119.6° | 120.1° |
| C8 | N7 | C6 | 103.4° | 109.8° |
| N7 | C8 | N4 | 109.8° | 108.3° |
| N7 | C8 | H7 | 125.1° | 125.9° |
| N7 | C6 | C9 | 123.4° | 125.6° |
| N7 | C6 | N5 | 113.6° | 108.7° |
| O1' | C2' | C4' | 109.0° | 109.5° |
| C2' | O1' | C1 | 121.1° | 117.0° |
| O1' | C2' | H12 | 109.4° | 109.5° |
| C4' | C2' | H12 | 108.6° | 109.4° |
| C2' | C4' | H15 | 109.5° | 109.5° |
| C2' | C4' | H13 | 109.5° | 109.5° |
| C2' | C4' | H14 | 109.5° | 109.4° |
| C8 | N4 | N5 | 109.7° | 106.5° |
| C8 | N4 | C3 | 129.2° | 126.8° |
| N4 | C8 | H7 | 125.1° | 125.8° |
| C12 | C13 | C14 | 121.4° | 120.1° |
| C12 | C13 | H3 | 119.3° | 120.0° |
| C13 | C12 | H2 | 120.4° | 119.9° |
| O1' | C1 | O | 124.8° | 120.0° |
| O1' | C1 | C2 | 110.9° | 120.0° |
| C6 | C9 | C14 | 119.8° | 120.1° |
| C9 | C6 | N5 | 123.0° | 125.7° |
| C9 | C14 | C13 | 119.1° | 119.8° |
| C9 | C14 | H1 | 120.4° | 120.1° |
| C6 | N5 | N4 | 103.4° | 106.7° |
| O | C1 | C2 | 124.3° | 120.0° |
| C1 | C2 | C3 | 113.8° | 109.5° |
| C1 | C2 | H11 | 108.4° | 109.5° |
| C1 | C2 | H10 | 108.4° | 109.5° |
| N5 | N4 | C3 | 121.1° | 126.8° |
| N4 | C3 | C2 | 113.0° | 109.5° |
| N4 | C3 | H5 | 108.6° | 109.5° |
| N4 | C3 | H9 | 108.6° | 109.5° |
| C14 | C13 | H3 | 119.3° | 119.9° |
| C13 | C14 | H1 | 120.5° | 120.1° |
| C2 | C3 | H5 | 108.6° | 109.4° |
| C2 | C3 | H9 | 108.6° | 109.5° |
| C3 | C2 | H11 | 108.4° | 109.4° |
| C3 | C2 | H10 | 108.4° | 109.4° |
| H5 | C3 | H9 | 109.5° | 109.5° |
| H11 | C2 | H10 | 109.5° | 109.5° |
| H15 | C4' | H13 | 109.5° | 109.5° |
| H15 | C4' | H14 | 109.4° | 109.5° |
| H13 | C4' | H14 | 109.5° | 109.4° |
| H17 | C3' | H18 | 109.5° | 109.5° |
| H17 | C3' | H16 | 109.4° | 109.4° |
| H18 | C3' | H16 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3' | C2' | O1' | C4' | 123.0° | 120.0° |
| C3' | C2' | O1' | H12 | 118.3° | 120.0° |
| C3' | C2' | C4' | H12 | 120.5° | 120.0° |
| C3' | C2' | O1' | C1 | 64.1° | 150.0° |
| C3' | C2' | C4' | H15 | 180.0° | 60.0° |
| C3' | C2' | C4' | H13 | 60.0° | 180.0° |
| C3' | C2' | C4' | H14 | 60.0° | 60.0° |
| C2' | C3' | H17 | H18 | 120.0° | 120.0° |
| C2' | C3' | H17 | H16 | 120.0° | 120.0° |
| C2' | C3' | H18 | H16 | 120.0° | 120.0° |
| C10 | C11 | C12 | H4 | 180.0° | 179.7° |
| C11 | C10 | C9 | H6 | 180.0° | 179.7° |
| C10 | C11 | C12 | C13 | 0.0° | 0.0° |
| C11 | C10 | C9 | C6 | 179.9° | 180.0° |
| C11 | C10 | C9 | C14 | 0.3° | 0.6° |
| C10 | C11 | C12 | H2 | 180.0° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.3° |
| C11 | C12 | C13 | H2 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.1° |
| C11 | C12 | C13 | H3 | 180.0° | 179.7° |
| C12 | C11 | C10 | H6 | 179.9° | 180.0° |
| C10 | C9 | C6 | N7 | 0.3° | 0.3° |
| C10 | C9 | C6 | C14 | 179.8° | 179.4° |
| C10 | C9 | C6 | N5 | 179.6° | 180.0° |
| C10 | C9 | C14 | C13 | 0.2° | 0.6° |
| C10 | C9 | C14 | H1 | 179.8° | 179.4° |
| C9 | C10 | C11 | H4 | 179.9° | 180.0° |
| N7 | C8 | N4 | H7 | 180.0° | 180.0° |
| C8 | N7 | C6 | C9 | 180.0° | 180.0° |
| C8 | N7 | C6 | N5 | 0.6° | 0.2° |
| N7 | C8 | N4 | N5 | 0.6° | 0.2° |
| N7 | C8 | N4 | C3 | 179.8° | 179.9° |
| C6 | N7 | C8 | N4 | 0.7° | 0.0° |
| N7 | C6 | C9 | N5 | 179.4° | 179.7° |
| N7 | C6 | C9 | C14 | 179.9° | 179.7° |
| N7 | C6 | N5 | N4 | 0.2° | 0.4° |
| C6 | N7 | C8 | H7 | 179.3° | 180.0° |
| O1' | C2' | C4' | H12 | 119.2° | 120.0° |
| C2' | O1' | C1 | O | 44.3° | 0.0° |
| C2' | O1' | C1 | C2 | 135.5° | 180.0° |
| O1' | C2' | C4' | H15 | 59.6° | 180.0° |
| O1' | C2' | C4' | H13 | 179.6° | 60.0° |
| O1' | C2' | C4' | H14 | 60.3° | 60.0° |
| O1' | C2' | C3' | H17 | 180.0° | 60.0° |
| O1' | C2' | C3' | H18 | 60.0° | 180.0° |
| O1' | C2' | C3' | H16 | 60.0° | 60.0° |
| C4' | C2' | O1' | C1 | 58.9° | 90.0° |
| C2' | C4' | H15 | H13 | 120.0° | 120.0° |
| C2' | C4' | H15 | H14 | 120.0° | 120.0° |
| C2' | C4' | H13 | H14 | 120.0° | 119.9° |
| C4' | C2' | C3' | H17 | 59.2° | 180.0° |
| C4' | C2' | C3' | H18 | 179.3° | 60.0° |
| C4' | C2' | C3' | H16 | 60.8° | 60.1° |
| C8 | N4 | N5 | C6 | 0.2° | 0.4° |
| C8 | N4 | N5 | C3 | 179.3° | 179.8° |
| C8 | N4 | C3 | C2 | 89.5° | 125.0° |
| C8 | N4 | C3 | H5 | 150.0° | 115.0° |
| C8 | N4 | C3 | H9 | 31.0° | 5.0° |
| C12 | C13 | C14 | C9 | 0.1° | 0.2° |
| C12 | C13 | C14 | H3 | 180.0° | 179.7° |
| C12 | C13 | C14 | H1 | 179.9° | 179.7° |
| C13 | C12 | C11 | H4 | 180.0° | 179.7° |
| O1' | C1 | O | C2 | 179.9° | 180.0° |
| O1' | C1 | C2 | C3 | 79.7° | 180.0° |
| O1' | C1 | C2 | H11 | 40.9° | 60.0° |
| O1' | C1 | C2 | H10 | 159.7° | 60.0° |
| C1 | O1' | C2' | H12 | 177.6° | 30.0° |
| C9 | C6 | N5 | N4 | 179.7° | 179.9° |
| C6 | C9 | C14 | C13 | 179.9° | 180.0° |
| C6 | C9 | C14 | H1 | 0.0° | 0.0° |
| C6 | C9 | C10 | H6 | 0.1° | 0.3° |
| C14 | C9 | C6 | N5 | 0.5° | 0.6° |
| C9 | C14 | C13 | H1 | 180.0° | 180.0° |
| C9 | C14 | C13 | H3 | 179.9° | 180.0° |
| C14 | C9 | C10 | H6 | 179.8° | 179.7° |
| C6 | N5 | N4 | C3 | 179.5° | 179.8° |
| O | C1 | C2 | C3 | 100.4° | 0.0° |
| O | C1 | C2 | H11 | 139.0° | 120.0° |
| O | C1 | C2 | H10 | 20.2° | 120.0° |
| C1 | C2 | C3 | N4 | 30.1° | 180.0° |
| C1 | C2 | C3 | H11 | 120.7° | 120.0° |
| C1 | C2 | C3 | H10 | 120.6° | 120.1° |
| C1 | C2 | C3 | H5 | 150.6° | 60.0° |
| C1 | C2 | C3 | H9 | 90.5° | 60.0° |
| C1 | C2 | H11 | H10 | 118.1° | 120.1° |
| N5 | N4 | C3 | C2 | 91.3° | 54.8° |
| N5 | N4 | C8 | H7 | 179.4° | 179.8° |
| N5 | N4 | C3 | H5 | 29.2° | 65.2° |
| N5 | N4 | C3 | H9 | 148.1° | 174.8° |
| N4 | C3 | C2 | H5 | 120.5° | 120.0° |
| N4 | C3 | C2 | H9 | 120.5° | 120.0° |
| C3 | N4 | C8 | H7 | 0.2° | 0.1° |
| N4 | C3 | H5 | H9 | 118.4° | 120.0° |
| N4 | C3 | C2 | H11 | 150.7° | 60.0° |
| N4 | C3 | C2 | H10 | 90.6° | 59.9° |
| C14 | C13 | C12 | H2 | 180.0° | 180.0° |
| C2 | C3 | H5 | H9 | 118.4° | 120.0° |
| C3 | C2 | H11 | H10 | 118.0° | 119.9° |
| H3 | C13 | C14 | H1 | 0.0° | 0.0° |
| H3 | C13 | C12 | H2 | 0.1° | 0.3° |
| H2 | C12 | C11 | H4 | 0.0° | 0.3° |
| H4 | C11 | C10 | H6 | 0.1° | 0.3° |
| H5 | C3 | C2 | H11 | 88.8° | 180.0° |
| H5 | C3 | C2 | H10 | 29.9° | 60.1° |
| H9 | C3 | C2 | H11 | 30.2° | 60.0° |
| H9 | C3 | C2 | H10 | 148.9° | 180.0° |
| H12 | C2' | C4' | H15 | 59.6° | 60.0° |
| H12 | C2' | C4' | H13 | 60.5° | 60.1° |
| H12 | C2' | C4' | H14 | 179.5° | 180.0° |
| H12 | C2' | C3' | H17 | 61.2° | 60.0° |
| H12 | C2' | C3' | H18 | 58.8° | 60.0° |
| H12 | C2' | C3' | H16 | 178.8° | 180.0° |
| H15 | C4' | H13 | H14 | 120.0° | 120.0° |
| H17 | C3' | H18 | H16 | 120.0° | 120.0° |






