59R
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| O1 | C3' | sing | 1.43Å | 1.43Å | |
| N2 | C2 | sing | 1.47Å | 1.45Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H2A | sing | 1.09Å | 1.10Å | |
| C3 | N2 | sing | 1.47Å | 1.44Å | |
| N2 | HN2 | sing | 1.01Å | 1.00Å | |
| C3 | C4 | sing | 1.53Å | 1.52Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C11 | C4 | sing | 1.51Å | 1.52Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C2' | N1' | sing | 1.49Å | 1.45Å | |
| C5' | N1' | sing | 1.49Å | 1.46Å | |
| N1' | HN1' | sing | 1.01Å | 1.00Å | |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| F13 | C13 | sing | 1.35Å | 1.34Å | |
| C13 | C14 | doub | 1.38Å | 1.39Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C2A | N1A | doub | 1.32Å | 1.37Å | Aromatic |
| N1A | C6A | sing | 1.32Å | 1.36Å | Aromatic |
| C3' | C2' | sing | 1.54Å | 1.53Å | |
| C2' | H2' | sing | 1.09Å | 1.10Å | |
| C2' | H2'A | sing | 1.09Å | 1.10Å | |
| C7A | C2A | sing | 1.51Å | 1.52Å | |
| C2A | C3A | sing | 1.38Å | 1.40Å | Aromatic |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C3' | H3' | sing | 1.09Å | 1.10Å | |
| C3A | C4A | doub | 1.39Å | 1.39Å | Aromatic |
| C3A | H3AA | sing | 1.08Å | 1.08Å | |
| C7A | C4' | sing | 1.53Å | 1.54Å | |
| C4' | C5' | sing | 1.54Å | 1.54Å | |
| C4' | H4' | sing | 1.09Å | 1.10Å | |
| C4A | C5A | sing | 1.38Å | 1.40Å | Aromatic |
| C4A | H4AA | sing | 1.08Å | 1.08Å | |
| C5' | H5' | sing | 1.09Å | 1.10Å | |
| C5' | H5'A | sing | 1.09Å | 1.10Å | |
| C6A | C5A | doub | 1.39Å | 1.40Å | Aromatic |
| C5A | H5A | sing | 1.08Å | 1.08Å | |
| C6A | N6A | sing | 1.39Å | 1.36Å | |
| N6A | HN6A | sing | 0.97Å | 1.00Å | |
| N6A | HN6B | sing | 0.97Å | 1.00Å | |
| C7A | H7A | sing | 1.09Å | 1.10Å | |
| C7A | H7AA | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | O1 | 110.2° | 109.5° |
| C2 | C1 | H1 | 109.2° | 109.4° |
| C2 | C1 | H1A | 109.2° | 109.5° |
| C1 | C2 | N2 | 113.8° | 109.5° |
| C1 | C2 | H2 | 108.1° | 109.5° |
| C1 | C2 | H2A | 108.1° | 109.5° |
| O1 | C1 | H1 | 109.2° | 109.5° |
| O1 | C1 | H1A | 109.2° | 109.5° |
| C1 | O1 | C3' | 113.8° | 114.0° |
| H1 | C1 | H1A | 109.7° | 109.5° |
| O1 | C3' | C2' | 109.4° | 110.3° |
| O1 | C3' | C4' | 107.6° | 110.3° |
| O1 | C3' | H3' | 109.4° | 110.3° |
| N2 | C2 | H2 | 108.0° | 109.5° |
| N2 | C2 | H2A | 108.0° | 109.5° |
| C2 | N2 | C3 | 117.1° | 111.0° |
| C2 | N2 | HN2 | 107.0° | 111.0° |
| H2 | C2 | H2A | 110.9° | 109.4° |
| C3 | N2 | HN2 | 107.0° | 111.0° |
| N2 | C3 | C4 | 112.3° | 109.5° |
| N2 | C3 | H3 | 108.6° | 109.5° |
| N2 | C3 | H3A | 108.6° | 109.5° |
| C4 | C3 | H3 | 108.5° | 109.4° |
| C4 | C3 | H3A | 108.5° | 109.5° |
| C3 | C4 | C11 | 107.3° | 109.5° |
| C3 | C4 | H4 | 110.2° | 109.5° |
| C3 | C4 | H4A | 110.2° | 109.5° |
| H3 | C3 | H3A | 110.4° | 109.4° |
| C11 | C4 | H4 | 110.2° | 109.5° |
| C11 | C4 | H4A | 110.2° | 109.5° |
| C4 | C11 | C12 | 118.4° | 120.0° |
| C4 | C11 | C16 | 121.3° | 120.0° |
| H4 | C4 | H4A | 108.7° | 109.4° |
| C2' | N1' | C5' | 112.7° | 104.2° |
| C2' | N1' | HN1' | 108.4° | 111.0° |
| N1' | C2' | C3' | 102.8° | 104.6° |
| N1' | C2' | H2' | 111.8° | 110.4° |
| N1' | C2' | H2'A | 111.8° | 110.4° |
| C5' | N1' | HN1' | 108.4° | 111.0° |
| N1' | C5' | C4' | 105.1° | 104.6° |
| N1' | C5' | H5' | 111.0° | 110.4° |
| N1' | C5' | H5'A | 111.0° | 110.4° |
| C12 | C11 | C16 | 120.3° | 120.0° |
| C11 | C12 | C13 | 119.3° | 120.0° |
| C11 | C12 | H12 | 120.4° | 120.0° |
| C11 | C16 | C15 | 120.3° | 120.0° |
| C11 | C16 | H16 | 119.8° | 120.0° |
| C13 | C12 | H12 | 120.4° | 120.0° |
| C12 | C13 | F13 | 118.5° | 120.0° |
| C12 | C13 | C14 | 120.5° | 120.0° |
| F13 | C13 | C14 | 120.9° | 120.0° |
| C13 | C14 | C15 | 120.9° | 119.9° |
| C13 | C14 | H14 | 119.5° | 120.0° |
| C15 | C14 | H14 | 119.5° | 120.0° |
| C14 | C15 | C16 | 118.7° | 120.0° |
| C14 | C15 | H15 | 120.7° | 120.0° |
| C16 | C15 | H15 | 120.7° | 120.0° |
| C15 | C16 | H16 | 119.9° | 120.0° |
| C2A | N1A | C6A | 122.1° | 121.7° |
| N1A | C2A | C7A | 120.3° | 119.6° |
| N1A | C2A | C3A | 120.1° | 120.9° |
| N1A | C6A | C5A | 119.0° | 120.6° |
| N1A | C6A | N6A | 121.6° | 119.7° |
| C3' | C2' | H2' | 111.8° | 110.4° |
| C3' | C2' | H2'A | 111.8° | 110.5° |
| C2' | C3' | C4' | 105.1° | 105.1° |
| C2' | C3' | H3' | 111.7° | 110.4° |
| H2' | C2' | H2'A | 107.1° | 110.4° |
| C7A | C2A | C3A | 119.6° | 119.6° |
| C2A | C7A | C4' | 112.0° | 109.5° |
| C2A | C7A | H7A | 108.6° | 109.5° |
| C2A | C7A | H7AA | 108.6° | 109.4° |
| C2A | C3A | C4A | 118.6° | 119.3° |
| C2A | C3A | H3AA | 120.7° | 120.4° |
| C4' | C3' | H3' | 113.5° | 110.4° |
| C3' | C4' | C7A | 113.4° | 110.3° |
| C3' | C4' | C5' | 104.4° | 105.1° |
| C3' | C4' | H4' | 112.1° | 110.3° |
| C4A | C3A | H3AA | 120.7° | 120.3° |
| C3A | C4A | C5A | 120.4° | 118.5° |
| C3A | C4A | H4AA | 119.8° | 120.8° |
| C7A | C4' | C5' | 114.3° | 110.3° |
| C7A | C4' | H4' | 101.8° | 110.3° |
| C4' | C7A | H7A | 108.6° | 109.5° |
| C4' | C7A | H7AA | 108.6° | 109.5° |
| C5' | C4' | H4' | 111.2° | 110.3° |
| C4' | C5' | H5' | 111.0° | 110.4° |
| C4' | C5' | H5'A | 111.0° | 110.4° |
| C5A | C4A | H4AA | 119.8° | 120.7° |
| C4A | C5A | C6A | 119.8° | 119.1° |
| C4A | C5A | H5A | 120.1° | 120.4° |
| H5' | C5' | H5'A | 107.9° | 110.5° |
| C6A | C5A | H5A | 120.1° | 120.5° |
| C5A | C6A | N6A | 119.4° | 119.7° |
| C6A | N6A | HN6A | 109.5° | 120.0° |
| C6A | N6A | HN6B | 109.4° | 120.0° |
| HN6A | N6A | HN6B | 109.5° | 120.0° |
| H7A | C7A | H7AA | 110.3° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | O1 | H1 | 120.0° | 119.9° |
| C2 | C1 | O1 | H1A | 120.0° | 120.1° |
| C2 | C1 | H1 | H1A | 119.7° | 120.0° |
| C2 | C1 | O1 | C3' | 123.8° | 180.0° |
| C1 | C2 | N2 | H2 | 120.0° | 120.0° |
| C1 | C2 | N2 | H2A | 120.0° | 120.0° |
| C1 | C2 | H2 | H2A | 118.3° | 120.0° |
| C1 | C2 | N2 | C3 | 156.7° | 180.0° |
| C1 | C2 | N2 | HN2 | 36.7° | 56.0° |
| O1 | C1 | H1 | H1A | 119.7° | 120.0° |
| O1 | C1 | C2 | N2 | 62.5° | 65.0° |
| O1 | C1 | C2 | H2 | 57.5° | 175.0° |
| O1 | C1 | C2 | H2A | 177.5° | 55.1° |
| C1 | O1 | C3' | C2' | 93.2° | 91.5° |
| C1 | O1 | C3' | C4' | 153.1° | 152.9° |
| C1 | O1 | C3' | H3' | 29.5° | 30.6° |
| H1 | C1 | O1 | C3' | 116.2° | 60.1° |
| H1 | C1 | C2 | N2 | 57.6° | 55.0° |
| H1 | C1 | C2 | H2 | 177.5° | 65.0° |
| H1 | C1 | C2 | H2A | 62.4° | 175.0° |
| H1A | C1 | O1 | C3' | 3.8° | 59.9° |
| H1A | C1 | C2 | N2 | 177.6° | 175.0° |
| H1A | C1 | C2 | H2 | 62.5° | 54.9° |
| H1A | C1 | C2 | H2A | 57.6° | 65.0° |
| O1 | C3' | C2' | N1' | 84.0° | 142.8° |
| O1 | C3' | C2' | C4' | 115.2° | 118.9° |
| O1 | C3' | C2' | H3' | 121.3° | 122.1° |
| O1 | C3' | C2' | H2' | 36.0° | 24.0° |
| O1 | C3' | C2' | H2'A | 156.0° | 98.5° |
| O1 | C3' | C4' | H3' | 121.2° | 122.1° |
| O1 | C3' | C4' | C7A | 37.4° | 0.0° |
| O1 | C3' | C4' | C5' | 87.6° | 118.9° |
| O1 | C3' | C4' | H4' | 151.9° | 122.2° |
| N2 | C2 | H2 | H2A | 118.2° | 120.0° |
| C2 | N2 | C3 | HN2 | 120.0° | 123.9° |
| C2 | N2 | C3 | C4 | 158.9° | 180.0° |
| C2 | N2 | C3 | H3 | 38.9° | 60.0° |
| C2 | N2 | C3 | H3A | 81.1° | 60.0° |
| H2 | C2 | N2 | C3 | 83.3° | 60.0° |
| H2 | C2 | N2 | HN2 | 156.7° | 176.1° |
| H2A | C2 | N2 | C3 | 36.7° | 60.0° |
| H2A | C2 | N2 | HN2 | 83.3° | 64.0° |
| N2 | C3 | C4 | H3 | 120.0° | 120.0° |
| N2 | C3 | C4 | H3A | 120.0° | 120.1° |
| N2 | C3 | H3 | H3A | 118.9° | 120.0° |
| N2 | C3 | C4 | C11 | 167.0° | 180.0° |
| N2 | C3 | C4 | H4 | 47.0° | 60.0° |
| N2 | C3 | C4 | H4A | 73.0° | 60.0° |
| HN2 | N2 | C3 | C4 | 81.1° | 56.1° |
| HN2 | N2 | C3 | H3 | 158.9° | 176.1° |
| HN2 | N2 | C3 | H3A | 38.9° | 64.0° |
| C4 | C3 | H3 | H3A | 118.8° | 120.0° |
| C3 | C4 | C11 | H4 | 120.0° | 120.0° |
| C3 | C4 | C11 | H4A | 120.0° | 120.0° |
| C3 | C4 | H4 | H4A | 120.9° | 120.0° |
| C3 | C4 | C11 | C12 | 99.7° | 89.8° |
| C3 | C4 | C11 | C16 | 79.6° | 90.0° |
| H3 | C3 | C4 | C11 | 73.0° | 60.0° |
| H3 | C3 | C4 | H4 | 167.0° | 180.0° |
| H3 | C3 | C4 | H4A | 47.0° | 60.0° |
| H3A | C3 | C4 | C11 | 47.0° | 59.9° |
| H3A | C3 | C4 | H4 | 73.0° | 60.1° |
| H3A | C3 | C4 | H4A | 167.0° | 180.0° |
| C11 | C4 | H4 | H4A | 120.9° | 119.9° |
| C4 | C11 | C12 | C16 | 179.3° | 179.8° |
| C4 | C11 | C12 | C13 | 179.3° | 180.0° |
| C4 | C11 | C12 | H12 | 0.8° | 0.0° |
| C4 | C11 | C16 | C15 | 179.4° | 179.7° |
| C4 | C11 | C16 | H16 | 0.6° | 0.0° |
| H4 | C4 | C11 | C12 | 20.3° | 150.2° |
| H4 | C4 | C11 | C16 | 160.4° | 30.0° |
| H4A | C4 | C11 | C12 | 140.3° | 30.3° |
| H4A | C4 | C11 | C16 | 40.5° | 150.0° |
| C2' | N1' | C5' | HN1' | 120.0° | 119.6° |
| N1' | C2' | C3' | H2' | 120.0° | 118.8° |
| N1' | C2' | C3' | H2'A | 120.0° | 118.8° |
| N1' | C2' | H2' | H2'A | 122.7° | 122.3° |
| N1' | C2' | C3' | C4' | 31.3° | 23.9° |
| N1' | C2' | C3' | H3' | 154.7° | 95.2° |
| C2' | N1' | C5' | C4' | 4.8° | 39.5° |
| C2' | N1' | C5' | H5' | 115.2° | 158.3° |
| C2' | N1' | C5' | H5'A | 124.8° | 79.3° |
| C5' | N1' | C2' | C3' | 22.7° | 39.5° |
| C5' | N1' | C2' | H2' | 142.7° | 79.3° |
| C5' | N1' | C2' | H2'A | 97.3° | 158.4° |
| N1' | C5' | C4' | C3' | 15.3° | 23.8° |
| N1' | C5' | C4' | C7A | 139.7° | 142.8° |
| N1' | C5' | C4' | H5' | 120.0° | 118.8° |
| N1' | C5' | C4' | H5'A | 120.0° | 118.8° |
| N1' | C5' | C4' | H4' | 105.8° | 95.1° |
| N1' | C5' | H5' | H5'A | 121.8° | 122.5° |
| HN1' | N1' | C2' | C3' | 142.7° | 80.1° |
| HN1' | N1' | C2' | H2' | 97.3° | 161.1° |
| HN1' | N1' | C2' | H2'A | 22.7° | 38.8° |
| HN1' | N1' | C5' | C4' | 124.8° | 80.1° |
| HN1' | N1' | C5' | H5' | 4.8° | 38.7° |
| HN1' | N1' | C5' | H5'A | 115.2° | 161.2° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | F13 | 179.8° | 179.9° |
| C11 | C12 | C13 | C14 | 1.3° | 0.0° |
| C12 | C11 | C16 | C15 | 1.3° | 0.5° |
| C12 | C11 | C16 | H16 | 178.7° | 179.8° |
| C16 | C11 | C12 | C13 | 0.0° | 0.2° |
| C16 | C11 | C12 | H12 | 180.0° | 179.8° |
| C11 | C16 | C15 | C14 | 1.4° | 0.5° |
| C11 | C16 | C15 | H16 | 180.0° | 179.7° |
| C11 | C16 | C15 | H15 | 178.6° | 179.8° |
| C12 | C13 | F13 | C14 | 178.9° | 180.0° |
| C12 | C13 | C14 | C15 | 1.2° | 0.0° |
| C12 | C13 | C14 | H14 | 178.8° | 180.0° |
| H12 | C12 | C13 | F13 | 0.2° | 0.0° |
| H12 | C12 | C13 | C14 | 178.7° | 180.0° |
| F13 | C13 | C14 | C15 | 179.9° | 180.0° |
| F13 | C13 | C14 | H14 | 0.0° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | C16 | 0.2° | 0.3° |
| C13 | C14 | C15 | H15 | 179.8° | 180.0° |
| C14 | C15 | C16 | H15 | 180.0° | 179.7° |
| C14 | C15 | C16 | H16 | 178.6° | 179.7° |
| H14 | C14 | C15 | C16 | 179.8° | 179.7° |
| H14 | C14 | C15 | H15 | 0.2° | 0.0° |
| H15 | C15 | C16 | H16 | 1.4° | 0.1° |
| N1A | C2A | C7A | C3A | 179.9° | 179.9° |
| N1A | C2A | C3A | C4A | 0.8° | 0.1° |
| N1A | C2A | C3A | H3AA | 179.2° | 180.0° |
| N1A | C2A | C7A | C4' | 114.7° | 55.0° |
| C2A | N1A | C6A | C5A | 0.5° | 0.1° |
| C2A | N1A | C6A | N6A | 179.8° | 179.9° |
| N1A | C2A | C7A | H7A | 125.3° | 65.1° |
| N1A | C2A | C7A | H7AA | 5.3° | 175.0° |
| C6A | N1A | C2A | C7A | 179.4° | 180.0° |
| C6A | N1A | C2A | C3A | 0.8° | 0.1° |
| N1A | C6A | C5A | C4A | 0.2° | 0.1° |
| N1A | C6A | C5A | N6A | 179.4° | 180.0° |
| N1A | C6A | C5A | H5A | 179.8° | 180.0° |
| N1A | C6A | N6A | HN6A | 0.0° | 0.0° |
| N1A | C6A | N6A | HN6B | 120.0° | 180.0° |
| C3' | C2' | H2' | H2'A | 122.7° | 122.5° |
| C2' | C3' | C4' | H3' | 122.3° | 119.0° |
| C2' | C3' | C4' | C7A | 153.9° | 118.9° |
| C2' | C3' | C4' | C5' | 28.9° | 0.0° |
| C2' | C3' | C4' | H4' | 91.6° | 118.9° |
| H2' | C2' | C3' | C4' | 151.3° | 94.9° |
| H2' | C2' | C3' | H3' | 85.3° | 146.0° |
| H2'A | C2' | C3' | C4' | 88.7° | 142.6° |
| H2'A | C2' | C3' | H3' | 34.7° | 23.6° |
| C2A | C7A | C4' | C3' | 173.0° | 175.0° |
| C7A | C2A | C3A | C4A | 179.3° | 180.0° |
| C7A | C2A | C3A | H3AA | 0.7° | 0.1° |
| C2A | C7A | C4' | H7A | 120.0° | 120.0° |
| C2A | C7A | C4' | H7AA | 120.0° | 120.0° |
| C2A | C7A | C4' | C5' | 53.5° | 69.3° |
| C2A | C7A | C4' | H4' | 66.4° | 52.8° |
| C2A | C7A | H7A | H7AA | 119.0° | 119.9° |
| C2A | C3A | C4A | H3AA | 180.0° | 179.9° |
| C3A | C2A | C7A | C4' | 65.5° | 124.9° |
| C2A | C3A | C4A | C5A | 0.6° | 0.1° |
| C2A | C3A | C4A | H4AA | 179.4° | 180.0° |
| C3A | C2A | C7A | H7A | 54.5° | 115.0° |
| C3A | C2A | C7A | H7AA | 174.6° | 4.9° |
| C3' | C4' | C7A | C5' | 119.5° | 115.6° |
| C3' | C4' | C7A | H4' | 120.6° | 122.2° |
| C3' | C4' | C5' | H4' | 121.0° | 118.9° |
| C3' | C4' | C5' | H5' | 135.2° | 142.6° |
| C3' | C4' | C5' | H5'A | 104.8° | 94.9° |
| C3' | C4' | C7A | H7A | 67.0° | 55.0° |
| C3' | C4' | C7A | H7AA | 53.0° | 65.0° |
| H3' | C3' | C4' | C7A | 83.8° | 122.1° |
| H3' | C3' | C4' | C5' | 151.2° | 119.0° |
| H3' | C3' | C4' | H4' | 30.7° | 0.1° |
| C3A | C4A | C5A | H4AA | 180.0° | 179.9° |
| C3A | C4A | C5A | C6A | 0.3° | 0.0° |
| C3A | C4A | C5A | H5A | 179.7° | 180.0° |
| H3AA | C3A | C4A | C5A | 179.5° | 180.0° |
| H3AA | C3A | C4A | H4AA | 0.5° | 0.1° |
| C7A | C4' | C5' | H4' | 114.5° | 122.1° |
| C7A | C4' | C5' | H5' | 100.3° | 98.4° |
| C7A | C4' | C5' | H5'A | 19.7° | 24.0° |
| C4' | C7A | H7A | H7AA | 118.9° | 120.0° |
| C4' | C5' | H5' | H5'A | 121.8° | 122.4° |
| C5' | C4' | C7A | H7A | 173.5° | 170.6° |
| C5' | C4' | C7A | H7AA | 66.5° | 50.7° |
| H4' | C4' | C5' | H5' | 14.2° | 23.7° |
| H4' | C4' | C5' | H5'A | 134.2° | 146.1° |
| H4' | C4' | C7A | H7A | 53.6° | 67.2° |
| H4' | C4' | C7A | H7AA | 173.6° | 172.8° |
| C4A | C5A | C6A | H5A | 180.0° | 180.0° |
| C4A | C5A | C6A | N6A | 179.6° | 180.0° |
| H4AA | C4A | C5A | C6A | 179.7° | 180.0° |
| H4AA | C4A | C5A | H5A | 0.3° | 0.1° |
| C5A | C6A | N6A | HN6A | 179.3° | 179.9° |
| C5A | C6A | N6A | HN6B | 59.3° | 0.0° |
| H5A | C5A | C6A | N6A | 0.4° | 0.0° |
| C6A | N6A | HN6A | HN6B | 120.0° | 179.9° |
