7BA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | O5 | sing | 1.43Å | 1.44Å | |
| O5 | C5 | sing | 1.36Å | 1.38Å | |
| C8 | O4 | sing | 1.43Å | 1.43Å | |
| C5 | C4 | doub | 1.39Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| O4 | C4 | sing | 1.36Å | 1.38Å | |
| C4 | C3 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | O3 | sing | 1.36Å | 1.37Å | |
| C3 | C2 | doub | 1.38Å | 1.37Å | Aromatic |
| C1 | C2 | sing | 1.40Å | 1.37Å | Aromatic |
| C1 | C1A | sing | 1.47Å | 1.41Å | |
| O3 | C7 | sing | 1.43Å | 1.42Å | |
| C1A | C1B | doub | 1.34Å | 1.41Å | |
| C1B | C1' | sing | 1.47Å | 1.40Å | |
| C6' | C1' | doub | 1.40Å | 1.38Å | Aromatic |
| C6' | C5' | sing | 1.38Å | 1.38Å | Aromatic |
| C1' | C2' | sing | 1.40Å | 1.39Å | Aromatic |
| C5' | C4' | doub | 1.39Å | 1.38Å | Aromatic |
| C2' | C3' | doub | 1.38Å | 1.39Å | Aromatic |
| C4' | C3' | sing | 1.39Å | 1.40Å | Aromatic |
| C4' | O4' | sing | 1.36Å | 1.37Å | |
| C3' | O3' | sing | 1.36Å | 1.35Å | |
| O4' | C7' | sing | 1.43Å | 1.40Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| C7 | H2 | sing | 1.09Å | 1.10Å | |
| C7 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.09Å | 1.10Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H10 | sing | 1.09Å | 1.10Å | |
| C7' | H11 | sing | 1.09Å | 1.10Å | |
| C7' | H12 | sing | 1.09Å | 1.10Å | |
| C7' | H13 | sing | 1.09Å | 1.10Å | |
| C2' | H14 | sing | 1.08Å | 1.08Å | |
| O3' | H15 | sing | 0.97Å | 0.95Å | |
| C5' | H16 | sing | 1.08Å | 1.08Å | |
| C6' | H17 | sing | 1.08Å | 1.08Å | |
| C1B | H18 | sing | 1.08Å | 1.08Å | |
| C1A | H19 | sing | 1.08Å | 1.08Å | |
| C2 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | O5 | C5 | 119.3° | 117.0° |
| O5 | C9 | H8 | 109.5° | 109.4° |
| O5 | C9 | H9 | 109.5° | 109.4° |
| O5 | C9 | H10 | 109.5° | 109.5° |
| O5 | C5 | C4 | 121.8° | 120.0° |
| O5 | C5 | C6 | 119.3° | 119.9° |
| C8 | O4 | C4 | 126.4° | 117.0° |
| O4 | C8 | H5 | 109.5° | 109.4° |
| O4 | C8 | H6 | 109.5° | 109.4° |
| O4 | C8 | H7 | 109.5° | 109.5° |
| C4 | C5 | C6 | 118.8° | 120.1° |
| C5 | C4 | O4 | 124.1° | 119.9° |
| C5 | C4 | C3 | 118.5° | 120.2° |
| C5 | C6 | C1 | 121.6° | 119.9° |
| C5 | C6 | H1 | 119.2° | 120.0° |
| O4 | C4 | C3 | 117.5° | 119.9° |
| C4 | C3 | O3 | 119.6° | 120.0° |
| C4 | C3 | C2 | 121.1° | 120.1° |
| C6 | C1 | C2 | 118.9° | 119.9° |
| C6 | C1 | C1A | 119.1° | 120.0° |
| C1 | C6 | H1 | 119.2° | 120.1° |
| O3 | C3 | C2 | 119.2° | 120.0° |
| C3 | O3 | C7 | 123.7° | 117.0° |
| C3 | C2 | C1 | 121.1° | 119.9° |
| C3 | C2 | H20 | 119.5° | 120.1° |
| C2 | C1 | C1A | 122.1° | 120.1° |
| C1 | C2 | H20 | 119.4° | 120.0° |
| C1 | C1A | C1B | 129.8° | 120.0° |
| C1 | C1A | H19 | 115.1° | 120.0° |
| O3 | C7 | H2 | 109.5° | 109.4° |
| O3 | C7 | H3 | 109.5° | 109.5° |
| O3 | C7 | H4 | 109.5° | 109.5° |
| C1A | C1B | C1' | 129.5° | 119.9° |
| C1A | C1B | H18 | 115.3° | 120.0° |
| C1B | C1A | H19 | 115.1° | 120.0° |
| C1B | C1' | C6' | 122.5° | 120.1° |
| C1B | C1' | C2' | 118.6° | 120.1° |
| C1' | C1B | H18 | 115.2° | 120.0° |
| C1' | C6' | C5' | 120.4° | 120.0° |
| C6' | C1' | C2' | 118.8° | 119.8° |
| C1' | C6' | H17 | 119.8° | 120.0° |
| C6' | C5' | C4' | 121.3° | 120.2° |
| C6' | C5' | H16 | 119.3° | 120.0° |
| C5' | C6' | H17 | 119.8° | 120.1° |
| C1' | C2' | C3' | 120.9° | 119.9° |
| C1' | C2' | H14 | 119.6° | 120.1° |
| C5' | C4' | C3' | 118.8° | 120.1° |
| C5' | C4' | O4' | 119.1° | 119.9° |
| C4' | C5' | H16 | 119.3° | 119.8° |
| C2' | C3' | C4' | 119.7° | 120.0° |
| C2' | C3' | O3' | 120.4° | 120.1° |
| C3' | C2' | H14 | 119.5° | 120.0° |
| C3' | C4' | O4' | 122.2° | 119.9° |
| C4' | C3' | O3' | 119.9° | 120.0° |
| C4' | O4' | C7' | 125.1° | 117.0° |
| C3' | O3' | H15 | 109.5° | 113.9° |
| O4' | C7' | H11 | 109.5° | 109.5° |
| O4' | C7' | H12 | 109.4° | 109.4° |
| O4' | C7' | H13 | 109.5° | 109.5° |
| H2 | C7 | H3 | 109.5° | 109.5° |
| H2 | C7 | H4 | 109.5° | 109.4° |
| H3 | C7 | H4 | 109.4° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.4° |
| H5 | C8 | H7 | 109.5° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.5° |
| H8 | C9 | H9 | 109.5° | 109.5° |
| H8 | C9 | H10 | 109.5° | 109.5° |
| H9 | C9 | H10 | 109.5° | 109.5° |
| H11 | C7' | H12 | 109.5° | 109.4° |
| H11 | C7' | H13 | 109.5° | 109.5° |
| H12 | C7' | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | O5 | C5 | C4 | 154.9° | 174.9° |
| C9 | O5 | C5 | C6 | 25.1° | 5.2° |
| O5 | C9 | H8 | H9 | 120.0° | 119.9° |
| O5 | C9 | H8 | H10 | 120.0° | 120.0° |
| O5 | C9 | H9 | H10 | 120.0° | 120.0° |
| O5 | C5 | C4 | C6 | 180.0° | 179.9° |
| O5 | C5 | C4 | O4 | 0.8° | 0.4° |
| O5 | C5 | C4 | C3 | 179.7° | 180.0° |
| O5 | C5 | C6 | C1 | 179.4° | 180.0° |
| O5 | C5 | C6 | H1 | 0.6° | 0.0° |
| C5 | O5 | C9 | H8 | 180.0° | 54.6° |
| C5 | O5 | C9 | H9 | 60.0° | 65.3° |
| C5 | O5 | C9 | H10 | 60.0° | 174.7° |
| C8 | O4 | C4 | C5 | 42.5° | 89.7° |
| C8 | O4 | C4 | C3 | 138.6° | 90.0° |
| O4 | C8 | H5 | H6 | 120.0° | 119.9° |
| O4 | C8 | H5 | H7 | 120.0° | 120.1° |
| O4 | C8 | H6 | H7 | 120.0° | 120.0° |
| C5 | C4 | O4 | C3 | 178.9° | 179.7° |
| C4 | C5 | C6 | C1 | 0.6° | 0.0° |
| C5 | C4 | C3 | O3 | 179.9° | 179.9° |
| C5 | C4 | C3 | C2 | 0.6° | 0.0° |
| C4 | C5 | C6 | H1 | 179.5° | 179.9° |
| C6 | C5 | C4 | O4 | 179.1° | 179.7° |
| C6 | C5 | C4 | C3 | 0.3° | 0.1° |
| C5 | C6 | C1 | H1 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 1.1° | 0.0° |
| C5 | C6 | C1 | C1A | 179.1° | 179.9° |
| O4 | C4 | C3 | O3 | 1.1° | 0.3° |
| O4 | C4 | C3 | C2 | 179.5° | 179.7° |
| C4 | O4 | C8 | H5 | 180.0° | 60.0° |
| C4 | O4 | C8 | H6 | 60.0° | 59.9° |
| C4 | O4 | C8 | H7 | 60.0° | 180.0° |
| C4 | C3 | O3 | C2 | 179.4° | 180.0° |
| C4 | C3 | C2 | C1 | 1.2° | 0.0° |
| C4 | C3 | O3 | C7 | 176.1° | 174.6° |
| C4 | C3 | C2 | H20 | 178.9° | 180.0° |
| C6 | C1 | C2 | C3 | 1.4° | 0.1° |
| C6 | C1 | C2 | C1A | 177.9° | 179.9° |
| C6 | C1 | C1A | C1B | 138.8° | 38.3° |
| C6 | C1 | C1A | H19 | 41.2° | 141.8° |
| C6 | C1 | C2 | H20 | 178.6° | 180.0° |
| O3 | C3 | C2 | C1 | 179.5° | 180.0° |
| C3 | O3 | C7 | H2 | 180.0° | 175.1° |
| C3 | O3 | C7 | H3 | 60.0° | 55.1° |
| C3 | O3 | C7 | H4 | 60.0° | 65.0° |
| O3 | C3 | C2 | H20 | 0.5° | 0.0° |
| C3 | C2 | C1 | H20 | 180.0° | 180.0° |
| C3 | C2 | C1 | C1A | 179.3° | 180.0° |
| C2 | C3 | O3 | C7 | 3.3° | 5.4° |
| C2 | C1 | C1A | C1B | 43.3° | 141.8° |
| C2 | C1 | C6 | H1 | 178.9° | 180.0° |
| C2 | C1 | C1A | H19 | 136.7° | 38.1° |
| C1 | C1A | C1B | H19 | 180.0° | 179.9° |
| C1 | C1A | C1B | C1' | 0.3° | 9.1° |
| C1A | C1 | C6 | H1 | 1.0° | 0.1° |
| C1 | C1A | C1B | H18 | 179.7° | 170.9° |
| C1A | C1 | C2 | H20 | 0.7° | 0.1° |
| O3 | C7 | H2 | H3 | 120.0° | 120.0° |
| O3 | C7 | H2 | H4 | 120.0° | 120.0° |
| O3 | C7 | H3 | H4 | 120.0° | 120.0° |
| C1A | C1B | C1' | H18 | 180.0° | 180.0° |
| C1A | C1B | C1' | C6' | 38.5° | 144.5° |
| C1A | C1B | C1' | C2' | 144.5° | 36.4° |
| C1B | C1' | C6' | C2' | 177.0° | 179.1° |
| C1B | C1' | C6' | C5' | 178.9° | 180.0° |
| C1B | C1' | C2' | C3' | 179.0° | 179.7° |
| C1B | C1' | C2' | H14 | 1.0° | 0.4° |
| C1B | C1' | C6' | H17 | 1.1° | 0.8° |
| C1' | C1B | C1A | H19 | 179.7° | 170.9° |
| C1' | C6' | C5' | H17 | 180.0° | 179.2° |
| C1' | C6' | C5' | C4' | 1.6° | 0.5° |
| C6' | C1' | C2' | C3' | 1.9° | 0.6° |
| C6' | C1' | C2' | H14 | 178.1° | 179.5° |
| C1' | C6' | C5' | H16 | 178.4° | 179.5° |
| C6' | C1' | C1B | H18 | 141.5° | 35.5° |
| C5' | C6' | C1' | C2' | 1.9° | 0.9° |
| C6' | C5' | C4' | H16 | 180.0° | 180.0° |
| C6' | C5' | C4' | C3' | 1.2° | 0.1° |
| C6' | C5' | C4' | O4' | 179.4° | 179.7° |
| C1' | C2' | C3' | H14 | 180.0° | 179.9° |
| C1' | C2' | C3' | C4' | 1.5° | 0.0° |
| C1' | C2' | C3' | O3' | 179.0° | 179.9° |
| C2' | C1' | C6' | H17 | 178.1° | 179.9° |
| C2' | C1' | C1B | H18 | 35.5° | 143.7° |
| C5' | C4' | C3' | C2' | 1.1° | 0.4° |
| C5' | C4' | C3' | O4' | 178.1° | 179.6° |
| C5' | C4' | C3' | O3' | 179.4° | 179.7° |
| C5' | C4' | O4' | C7' | 121.0° | 4.7° |
| C4' | C5' | C6' | H17 | 178.4° | 179.7° |
| C2' | C3' | C4' | O3' | 179.5° | 179.9° |
| C2' | C3' | C4' | O4' | 179.2° | 180.0° |
| C2' | C3' | O3' | H15 | 180.0° | 90.1° |
| C3' | C4' | O4' | C7' | 60.9° | 174.9° |
| C4' | C3' | C2' | H14 | 178.5° | 179.9° |
| C4' | C3' | O3' | H15 | 0.5° | 90.1° |
| C3' | C4' | C5' | H16 | 178.8° | 179.9° |
| O4' | C4' | C3' | O3' | 1.3° | 0.1° |
| C4' | O4' | C7' | H11 | 180.0° | 175.5° |
| C4' | O4' | C7' | H12 | 60.0° | 55.5° |
| C4' | O4' | C7' | H13 | 60.0° | 64.5° |
| O4' | C4' | C5' | H16 | 0.6° | 0.3° |
| O3' | C3' | C2' | H14 | 1.0° | 0.0° |
| O4' | C7' | H11 | H12 | 120.0° | 120.0° |
| O4' | C7' | H11 | H13 | 120.0° | 120.1° |
| O4' | C7' | H12 | H13 | 120.0° | 120.0° |
| H2 | C7 | H3 | H4 | 120.0° | 120.0° |
| H5 | C8 | H6 | H7 | 120.0° | 120.0° |
| H8 | C9 | H9 | H10 | 120.0° | 120.1° |
| H11 | C7' | H12 | H13 | 120.0° | 120.0° |
| H16 | C5' | C6' | H17 | 1.6° | 0.3° |
| H18 | C1B | C1A | H19 | 0.3° | 9.2° |
