AXW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C07 | C04 | sing | 1.51Å | 1.52Å | |
| C04 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.40Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.41Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.35Å | |
| C02 | N01 | doub | 1.32Å | 1.37Å | Aromatic |
| C3' | C2' | sing | 1.54Å | 1.53Å | |
| C3' | C08 | sing | 1.53Å | 1.53Å | |
| C3' | C4' | sing | 1.54Å | 1.52Å | |
| C06 | N01 | sing | 1.32Å | 1.35Å | Aromatic |
| C06 | C08 | sing | 1.51Å | 1.54Å | |
| C2' | N1' | sing | 1.49Å | 1.47Å | |
| C10 | O09 | sing | 1.43Å | 1.41Å | |
| C10 | C11 | sing | 1.53Å | 1.50Å | |
| C4' | O09 | sing | 1.43Å | 1.42Å | |
| C4' | C5' | sing | 1.54Å | 1.53Å | |
| N1' | C5' | sing | 1.49Å | 1.46Å | |
| C11 | N12 | sing | 1.47Å | 1.45Å | |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| C26 | C25 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | C21 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C13 | C21 | sing | 1.51Å | 1.52Å | |
| C21 | C22 | doub | 1.38Å | 1.49Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | F22 | sing | 1.35Å | 1.35Å | |
| C23 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.08Å | 1.08Å | |
| C25 | H3 | sing | 1.08Å | 1.08Å | |
| C26 | H4 | sing | 1.08Å | 1.08Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| N12 | H7 | sing | 1.01Å | 1.00Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C4' | H13 | sing | 1.09Å | 1.10Å | |
| C5' | H14 | sing | 1.09Å | 1.10Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| N1' | H16 | sing | 1.01Å | 1.00Å | |
| C2' | H18 | sing | 1.09Å | 1.10Å | |
| C2' | H19 | sing | 1.09Å | 1.10Å | |
| C3' | H20 | sing | 1.09Å | 1.10Å | |
| C08 | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| N02 | H23 | sing | 0.97Å | 1.00Å | |
| N02 | H24 | sing | 0.97Å | 1.00Å | |
| C03 | H25 | sing | 1.08Å | 1.08Å | |
| C05 | H26 | sing | 1.08Å | 1.08Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| C07 | H28 | sing | 1.09Å | 1.10Å | |
| C07 | H29 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C03 | 122.3° | 120.7° |
| C07 | C04 | C05 | 119.4° | 120.7° |
| C04 | C07 | H27 | 109.5° | 109.5° |
| C04 | C07 | H28 | 109.4° | 109.4° |
| C04 | C07 | H29 | 109.5° | 109.4° |
| C03 | C04 | C05 | 118.3° | 118.5° |
| C04 | C03 | C02 | 120.0° | 119.1° |
| C04 | C03 | H25 | 120.0° | 120.5° |
| C04 | C05 | C06 | 120.4° | 119.3° |
| C04 | C05 | H26 | 119.8° | 120.4° |
| C03 | C02 | N02 | 120.6° | 119.7° |
| C03 | C02 | N01 | 119.9° | 120.6° |
| C02 | C03 | H25 | 120.0° | 120.4° |
| C05 | C06 | N01 | 120.4° | 120.9° |
| C05 | C06 | C08 | 119.6° | 119.6° |
| C06 | C05 | H26 | 119.8° | 120.3° |
| N02 | C02 | N01 | 119.3° | 119.7° |
| C02 | N02 | H23 | 109.5° | 120.0° |
| C02 | N02 | H24 | 109.5° | 120.0° |
| C02 | N01 | C06 | 120.9° | 121.6° |
| C2' | C3' | C08 | 112.7° | 110.3° |
| C2' | C3' | C4' | 102.7° | 105.1° |
| C3' | C2' | N1' | 103.7° | 104.6° |
| C3' | C2' | H18 | 111.4° | 110.5° |
| C3' | C2' | H19 | 111.4° | 110.5° |
| C2' | C3' | H20 | 111.4° | 110.4° |
| C08 | C3' | C4' | 108.1° | 110.3° |
| C3' | C08 | C06 | 110.6° | 109.5° |
| C08 | C3' | H20 | 106.4° | 110.2° |
| C3' | C08 | H21 | 109.1° | 109.5° |
| C3' | C08 | H22 | 109.1° | 109.5° |
| C3' | C4' | O09 | 109.0° | 110.4° |
| C3' | C4' | C5' | 106.0° | 105.1° |
| C3' | C4' | H13 | 112.1° | 110.4° |
| C4' | C3' | H20 | 115.7° | 110.4° |
| N01 | C06 | C08 | 119.9° | 119.5° |
| C06 | C08 | H21 | 109.1° | 109.5° |
| C06 | C08 | H22 | 109.1° | 109.5° |
| C2' | N1' | C5' | 112.9° | 104.2° |
| C2' | N1' | H16 | 108.3° | 111.0° |
| N1' | C2' | H18 | 111.5° | 110.4° |
| N1' | C2' | H19 | 111.4° | 110.4° |
| O09 | C10 | C11 | 107.7° | 109.5° |
| C10 | O09 | C4' | 112.4° | 114.0° |
| O09 | C10 | H11 | 110.1° | 109.4° |
| O09 | C10 | H12 | 110.1° | 109.4° |
| C10 | C11 | N12 | 110.2° | 109.4° |
| C10 | C11 | H9 | 109.2° | 109.5° |
| C10 | C11 | H10 | 109.2° | 109.4° |
| C11 | C10 | H11 | 110.1° | 109.5° |
| C11 | C10 | H12 | 110.1° | 109.5° |
| O09 | C4' | C5' | 109.6° | 110.3° |
| O09 | C4' | H13 | 108.7° | 110.3° |
| C4' | C5' | N1' | 102.8° | 104.6° |
| C5' | C4' | H13 | 111.4° | 110.3° |
| C4' | C5' | H14 | 111.8° | 110.5° |
| C4' | C5' | H15 | 111.7° | 110.4° |
| N1' | C5' | H14 | 111.8° | 110.4° |
| N1' | C5' | H15 | 111.8° | 110.5° |
| C5' | N1' | H16 | 108.4° | 111.0° |
| C11 | N12 | C13 | 117.5° | 111.0° |
| C11 | N12 | H7 | 106.9° | 111.0° |
| N12 | C11 | H9 | 109.2° | 109.5° |
| N12 | C11 | H10 | 109.2° | 109.4° |
| N12 | C13 | C21 | 112.3° | 109.5° |
| N12 | C13 | H5 | 108.5° | 109.5° |
| N12 | C13 | H6 | 108.5° | 109.5° |
| C13 | N12 | H7 | 106.9° | 111.0° |
| C25 | C26 | C21 | 119.5° | 120.0° |
| C26 | C25 | C24 | 122.0° | 120.1° |
| C26 | C25 | H3 | 119.0° | 120.0° |
| C25 | C26 | H4 | 120.2° | 120.0° |
| C26 | C21 | C13 | 122.1° | 120.0° |
| C26 | C21 | C22 | 118.8° | 119.9° |
| C21 | C26 | H4 | 120.2° | 120.0° |
| C25 | C24 | C23 | 120.8° | 120.0° |
| C25 | C24 | H2 | 119.6° | 120.0° |
| C24 | C25 | H3 | 119.0° | 120.0° |
| C13 | C21 | C22 | 119.2° | 120.1° |
| C21 | C13 | H5 | 108.6° | 109.5° |
| C21 | C13 | H6 | 108.5° | 109.5° |
| C21 | C22 | C23 | 119.6° | 120.0° |
| C21 | C22 | F22 | 119.0° | 120.0° |
| C24 | C23 | C22 | 119.4° | 119.9° |
| C24 | C23 | H1 | 120.3° | 120.0° |
| C23 | C24 | H2 | 119.6° | 120.0° |
| C23 | C22 | F22 | 121.4° | 120.0° |
| C22 | C23 | H1 | 120.4° | 120.1° |
| H5 | C13 | H6 | 110.4° | 109.5° |
| H9 | C11 | H10 | 109.8° | 109.5° |
| H11 | C10 | H12 | 108.9° | 109.4° |
| H14 | C5' | H15 | 107.1° | 110.4° |
| H18 | C2' | H19 | 107.4° | 110.4° |
| H21 | C08 | H22 | 109.8° | 109.4° |
| H23 | N02 | H24 | 109.4° | 120.1° |
| H27 | C07 | H28 | 109.5° | 109.5° |
| H27 | C07 | H29 | 109.5° | 109.5° |
| H28 | C07 | H29 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C03 | C05 | 179.3° | 179.8° |
| C07 | C04 | C03 | C02 | 179.2° | 180.0° |
| C07 | C04 | C05 | C06 | 179.6° | 179.8° |
| C07 | C04 | C03 | H25 | 0.8° | 0.1° |
| C07 | C04 | C05 | H26 | 0.4° | 0.2° |
| C04 | C07 | H27 | H28 | 120.0° | 120.0° |
| C04 | C07 | H27 | H29 | 120.0° | 120.0° |
| C04 | C07 | H28 | H29 | 120.0° | 119.9° |
| C04 | C03 | C02 | H25 | 180.0° | 179.9° |
| C03 | C04 | C05 | C06 | 1.1° | 0.5° |
| C04 | C03 | C02 | N02 | 178.7° | 180.0° |
| C04 | C03 | C02 | N01 | 2.8° | 0.1° |
| C03 | C04 | C05 | H26 | 178.9° | 180.0° |
| C03 | C04 | C07 | H27 | 89.6° | 90.0° |
| C03 | C04 | C07 | H28 | 150.4° | 150.0° |
| C03 | C04 | C07 | H29 | 30.4° | 30.0° |
| C05 | C04 | C03 | C02 | 1.4° | 0.2° |
| C04 | C05 | C06 | H26 | 180.0° | 179.6° |
| C04 | C05 | C06 | N01 | 2.1° | 0.5° |
| C04 | C05 | C06 | C08 | 178.1° | 179.8° |
| C05 | C04 | C03 | H25 | 178.5° | 179.7° |
| C05 | C04 | C07 | H27 | 89.7° | 89.8° |
| C05 | C04 | C07 | H28 | 30.3° | 30.3° |
| C05 | C04 | C07 | H29 | 150.3° | 150.2° |
| C03 | C02 | N02 | N01 | 175.9° | 179.9° |
| C03 | C02 | N01 | C06 | 3.8° | 0.1° |
| C03 | C02 | N02 | H23 | 175.8° | 180.0° |
| C03 | C02 | N02 | H24 | 55.9° | 0.1° |
| C05 | C06 | N01 | C02 | 3.5° | 0.2° |
| C05 | C06 | C08 | C3' | 86.5° | 124.7° |
| C05 | C06 | N01 | C08 | 176.0° | 179.7° |
| C05 | C06 | C08 | H21 | 33.5° | 4.7° |
| C05 | C06 | C08 | H22 | 153.5° | 115.2° |
| N02 | C02 | N01 | C06 | 179.7° | 180.0° |
| C02 | N02 | H23 | H24 | 120.0° | 179.9° |
| N02 | C02 | C03 | H25 | 1.3° | 0.1° |
| C02 | N01 | C06 | C08 | 179.5° | 180.0° |
| N01 | C02 | N02 | H23 | 0.0° | 0.1° |
| N01 | C02 | N02 | H24 | 120.0° | 180.0° |
| N01 | C02 | C03 | H25 | 177.2° | 180.0° |
| C2' | C3' | C08 | C4' | 112.8° | 115.7° |
| C2' | C3' | C08 | H20 | 122.3° | 122.1° |
| C2' | C3' | C4' | H20 | 121.6° | 119.0° |
| C2' | C3' | C08 | C06 | 65.2° | 66.5° |
| C3' | C2' | N1' | H18 | 120.0° | 118.8° |
| C3' | C2' | N1' | H19 | 120.0° | 118.9° |
| C2' | C3' | C4' | O09 | 152.1° | 118.9° |
| C2' | C3' | C4' | C5' | 34.3° | 0.0° |
| C3' | C2' | N1' | C5' | 17.4° | 39.5° |
| C2' | C3' | C4' | H13 | 87.6° | 118.9° |
| C3' | C2' | N1' | H16 | 137.4° | 80.1° |
| C3' | C2' | H18 | H19 | 122.3° | 122.6° |
| C2' | C3' | C08 | H21 | 174.7° | 173.5° |
| C2' | C3' | C08 | H22 | 54.8° | 53.6° |
| C08 | C3' | C4' | H20 | 119.1° | 122.1° |
| C3' | C08 | C06 | N01 | 89.6° | 55.0° |
| C3' | C08 | C06 | H21 | 120.0° | 120.0° |
| C3' | C08 | C06 | H22 | 120.0° | 120.0° |
| C08 | C3' | C2' | N1' | 85.1° | 142.8° |
| C08 | C3' | C4' | O09 | 32.8° | 0.0° |
| C08 | C3' | C4' | C5' | 85.0° | 118.9° |
| C08 | C3' | C4' | H13 | 153.1° | 122.2° |
| C08 | C3' | C2' | H18 | 154.9° | 24.0° |
| C08 | C3' | C2' | H19 | 34.9° | 98.5° |
| C3' | C08 | H21 | H22 | 119.5° | 120.0° |
| C4' | C3' | C08 | C06 | 178.0° | 177.9° |
| C4' | C3' | C2' | N1' | 31.0° | 23.9° |
| C3' | C4' | O09 | C10 | 114.9° | 152.9° |
| C3' | C4' | O09 | C5' | 115.6° | 115.6° |
| C3' | C4' | O09 | H13 | 122.4° | 122.3° |
| C3' | C4' | C5' | H13 | 122.2° | 119.0° |
| C3' | C4' | C5' | N1' | 23.7° | 23.9° |
| C3' | C4' | C5' | H14 | 96.3° | 94.9° |
| C3' | C4' | C5' | H15 | 143.7° | 142.7° |
| C4' | C3' | C2' | H18 | 89.0° | 94.9° |
| C4' | C3' | C2' | H19 | 151.0° | 142.6° |
| C4' | C3' | C08 | H21 | 61.9° | 57.9° |
| C4' | C3' | C08 | H22 | 58.0° | 62.1° |
| N01 | C06 | C08 | H21 | 150.4° | 175.0° |
| N01 | C06 | C08 | H22 | 30.5° | 65.1° |
| N01 | C06 | C05 | H26 | 177.9° | 180.0° |
| C06 | C08 | C3' | H20 | 57.1° | 55.7° |
| C06 | C08 | H21 | H22 | 119.5° | 120.0° |
| C08 | C06 | C05 | H26 | 1.9° | 0.2° |
| C2' | N1' | C5' | C4' | 3.7° | 39.5° |
| C2' | N1' | C5' | H16 | 120.0° | 119.5° |
| C2' | N1' | C5' | H14 | 116.3° | 79.3° |
| C2' | N1' | C5' | H15 | 123.7° | 158.3° |
| N1' | C2' | H18 | H19 | 122.4° | 122.3° |
| N1' | C2' | C3' | H20 | 155.5° | 95.2° |
| O09 | C10 | C11 | H11 | 120.0° | 120.0° |
| O09 | C10 | C11 | H12 | 120.0° | 120.0° |
| C10 | O09 | C4' | C5' | 129.5° | 91.4° |
| O09 | C10 | C11 | N12 | 59.6° | 65.0° |
| O09 | C10 | C11 | H9 | 179.6° | 55.0° |
| O09 | C10 | C11 | H10 | 60.4° | 175.1° |
| O09 | C10 | H11 | H12 | 120.7° | 119.9° |
| C10 | O09 | C4' | H13 | 7.5° | 30.7° |
| C11 | C10 | O09 | C4' | 114.6° | 180.0° |
| C10 | C11 | N12 | H9 | 120.0° | 120.0° |
| C10 | C11 | N12 | H10 | 120.0° | 119.9° |
| C10 | C11 | N12 | C13 | 155.8° | 180.0° |
| C10 | C11 | N12 | H7 | 35.8° | 56.1° |
| C10 | C11 | H9 | H10 | 119.7° | 120.0° |
| C11 | C10 | H11 | H12 | 120.7° | 120.1° |
| O09 | C4' | C5' | H13 | 120.3° | 122.1° |
| O09 | C4' | C5' | N1' | 141.2° | 142.8° |
| C4' | O09 | C10 | H11 | 125.4° | 60.0° |
| C4' | O09 | C10 | H12 | 5.4° | 60.0° |
| O09 | C4' | C5' | H14 | 21.2° | 24.0° |
| O09 | C4' | C5' | H15 | 98.8° | 98.4° |
| O09 | C4' | C3' | H20 | 86.3° | 122.1° |
| C4' | C5' | N1' | H14 | 120.0° | 118.8° |
| C4' | C5' | N1' | H15 | 120.0° | 118.8° |
| C4' | C5' | H14 | H15 | 122.7° | 122.4° |
| C4' | C5' | N1' | H16 | 116.3° | 80.1° |
| C5' | C4' | C3' | H20 | 155.9° | 119.0° |
| N1' | C5' | C4' | H13 | 98.5° | 95.2° |
| N1' | C5' | H14 | H15 | 122.7° | 122.4° |
| C5' | N1' | C2' | H18 | 102.6° | 79.3° |
| C5' | N1' | C2' | H19 | 137.4° | 158.4° |
| C11 | N12 | C13 | H7 | 120.0° | 123.9° |
| C11 | N12 | C13 | C21 | 73.9° | 180.0° |
| C11 | N12 | C13 | H5 | 46.1° | 60.0° |
| C11 | N12 | C13 | H6 | 166.1° | 60.1° |
| N12 | C11 | H9 | H10 | 119.7° | 120.0° |
| N12 | C11 | C10 | H11 | 60.4° | 175.0° |
| N12 | C11 | C10 | H12 | 179.6° | 55.0° |
| N12 | C13 | C21 | C26 | 63.9° | 105.0° |
| N12 | C13 | C21 | H5 | 120.0° | 120.0° |
| N12 | C13 | C21 | H6 | 120.0° | 120.0° |
| N12 | C13 | C21 | C22 | 115.9° | 75.6° |
| N12 | C13 | H5 | H6 | 118.9° | 120.0° |
| C13 | N12 | C11 | H9 | 84.2° | 60.0° |
| C13 | N12 | C11 | H10 | 35.8° | 60.1° |
| C25 | C26 | C21 | H4 | 180.0° | 179.7° |
| C26 | C25 | C24 | H3 | 180.0° | 180.0° |
| C25 | C26 | C21 | C13 | 179.6° | 180.0° |
| C25 | C26 | C21 | C22 | 0.1° | 0.5° |
| C26 | C25 | C24 | C23 | 0.0° | 0.1° |
| C26 | C25 | C24 | H2 | 179.9° | 179.9° |
| C21 | C26 | C25 | C24 | 0.1° | 0.2° |
| C26 | C21 | C13 | C22 | 179.7° | 179.4° |
| C26 | C21 | C22 | C23 | 0.4° | 0.6° |
| C26 | C21 | C22 | F22 | 179.5° | 179.7° |
| C21 | C26 | C25 | H3 | 179.9° | 179.7° |
| C26 | C21 | C13 | H5 | 176.2° | 135.0° |
| C26 | C21 | C13 | H6 | 56.1° | 15.0° |
| C25 | C24 | C23 | H2 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 0.3° | 0.1° |
| C25 | C24 | C23 | H1 | 179.7° | 179.9° |
| C24 | C25 | C26 | H4 | 179.9° | 180.0° |
| C13 | C21 | C22 | C23 | 179.3° | 180.0° |
| C13 | C21 | C22 | F22 | 0.2° | 0.3° |
| C13 | C21 | C26 | H4 | 0.4° | 0.3° |
| C21 | C13 | H5 | H6 | 118.9° | 120.0° |
| C21 | C13 | N12 | H7 | 166.1° | 56.1° |
| C21 | C22 | C23 | C24 | 0.5° | 0.2° |
| C21 | C22 | C23 | F22 | 179.1° | 179.7° |
| C21 | C22 | C23 | H1 | 179.5° | 179.8° |
| C22 | C21 | C26 | H4 | 179.9° | 179.7° |
| C22 | C21 | C13 | H5 | 4.1° | 44.4° |
| C22 | C21 | C13 | H6 | 124.1° | 164.5° |
| C24 | C23 | C22 | H1 | 180.0° | 180.0° |
| C24 | C23 | C22 | F22 | 179.6° | 180.0° |
| C23 | C24 | C25 | H3 | 180.0° | 180.0° |
| C22 | C23 | C24 | H2 | 179.7° | 179.9° |
| F22 | C22 | C23 | H1 | 0.4° | 0.1° |
| H1 | C23 | C24 | H2 | 0.3° | 0.0° |
| H2 | C24 | C25 | H3 | 0.0° | 0.1° |
| H3 | C25 | C26 | H4 | 0.1° | 0.0° |
| H5 | C13 | N12 | H7 | 74.0° | 63.9° |
| H6 | C13 | N12 | H7 | 46.1° | 176.0° |
| H7 | N12 | C11 | H9 | 155.8° | 63.9° |
| H7 | N12 | C11 | H10 | 84.2° | 176.0° |
| H9 | C11 | C10 | H11 | 59.6° | 65.0° |
| H9 | C11 | C10 | H12 | 60.4° | 175.0° |
| H10 | C11 | C10 | H11 | 179.6° | 55.1° |
| H10 | C11 | C10 | H12 | 59.6° | 64.9° |
| H13 | C4' | C5' | H14 | 141.5° | 146.1° |
| H13 | C4' | C5' | H15 | 21.5° | 23.7° |
| H13 | C4' | C3' | H20 | 34.1° | 0.1° |
| H14 | C5' | N1' | H16 | 123.7° | 161.1° |
| H15 | C5' | N1' | H16 | 3.7° | 38.7° |
| H16 | N1' | C2' | H18 | 17.4° | 161.1° |
| H16 | N1' | C2' | H19 | 102.6° | 38.8° |
| H18 | C2' | C3' | H20 | 35.5° | 146.1° |
| H19 | C2' | C3' | H20 | 84.5° | 23.6° |
| H20 | C3' | C08 | H21 | 62.9° | 64.3° |
| H20 | C3' | C08 | H22 | 177.1° | 175.7° |
| H27 | C07 | H28 | H29 | 120.0° | 120.1° |
