DXW
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 | 1.40Å | Aromatic |
| C04 | C05 | sing | 1.39Å | 1.39Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.40Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.40Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.35Å | |
| C02 | N01 | doub | 1.32Å | 1.36Å | 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 | 1.53Å | |
| C2' | N1' | sing | 1.49Å | 1.47Å | |
| C4' | O09 | sing | 1.43Å | 1.42Å | |
| C4' | C5' | sing | 1.54Å | 1.54Å | |
| O09 | C10 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C11 | N12 | sing | 1.47Å | 1.45Å | |
| N1' | C5' | sing | 1.49Å | 1.46Å | |
| N12 | C13 | sing | 1.47Å | 1.47Å | |
| C25 | C24 | sing | 1.41Å | 1.38Å | Aromatic |
| C25 | C22 | doub | 1.34Å | 1.40Å | Aromatic |
| C24 | C23 | doub | 1.34Å | 1.38Å | Aromatic |
| C13 | C22 | sing | 1.51Å | 1.52Å | |
| C22 | O21 | sing | 1.34Å | 1.38Å | Aromatic |
| C23 | O21 | sing | 1.34Å | 1.38Å | Aromatic |
| N02 | H1 | sing | 0.97Å | 1.00Å | |
| N02 | H2 | sing | 0.97Å | 1.00Å | |
| C03 | H3 | sing | 1.08Å | 1.08Å | |
| C05 | H4 | sing | 1.08Å | 1.08Å | |
| C07 | H5 | sing | 1.09Å | 1.10Å | |
| C07 | H6 | sing | 1.09Å | 1.10Å | |
| C07 | H7 | sing | 1.09Å | 1.10Å | |
| C08 | H8 | sing | 1.09Å | 1.10Å | |
| C08 | H9 | sing | 1.09Å | 1.10Å | |
| C3' | H10 | sing | 1.09Å | 1.10Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C5' | H12 | sing | 1.09Å | 1.10Å | |
| C5' | H13 | sing | 1.09Å | 1.10Å | |
| N1' | H14 | sing | 1.01Å | 1.00Å | |
| C2' | H16 | sing | 1.09Å | 1.10Å | |
| C2' | H17 | sing | 1.09Å | 1.10Å | |
| C10 | H18 | sing | 1.09Å | 1.10Å | |
| C10 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.09Å | 1.10Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| N12 | H22 | sing | 1.01Å | 1.00Å | |
| C13 | H24 | sing | 1.09Å | 1.10Å | |
| C13 | H25 | sing | 1.09Å | 1.10Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C24 | H27 | sing | 1.08Å | 1.08Å | |
| C25 | H28 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C03 | 122.1° | 120.7° |
| C07 | C04 | C05 | 118.8° | 120.8° |
| C04 | C07 | H5 | 109.5° | 109.5° |
| C04 | C07 | H6 | 109.5° | 109.5° |
| C04 | C07 | H7 | 109.5° | 109.5° |
| C03 | C04 | C05 | 119.1° | 118.5° |
| C04 | C03 | C02 | 119.0° | 119.1° |
| C04 | C03 | H3 | 120.5° | 120.5° |
| C04 | C05 | C06 | 120.1° | 119.3° |
| C04 | C05 | H4 | 120.0° | 120.3° |
| C03 | C02 | N02 | 120.7° | 119.7° |
| C03 | C02 | N01 | 120.8° | 120.6° |
| C02 | C03 | H3 | 120.5° | 120.4° |
| C05 | C06 | N01 | 120.2° | 120.9° |
| C05 | C06 | C08 | 120.0° | 119.6° |
| C06 | C05 | H4 | 120.0° | 120.3° |
| N02 | C02 | N01 | 118.5° | 119.7° |
| C02 | N02 | H1 | 109.5° | 120.0° |
| C02 | N02 | H2 | 109.5° | 120.0° |
| C02 | N01 | C06 | 120.8° | 121.6° |
| C2' | C3' | C08 | 113.5° | 110.3° |
| C2' | C3' | C4' | 101.9° | 105.1° |
| C3' | C2' | N1' | 104.0° | 104.6° |
| C2' | C3' | H10 | 111.9° | 110.4° |
| C3' | C2' | H16 | 111.3° | 110.4° |
| C3' | C2' | H17 | 111.3° | 110.4° |
| C08 | C3' | C4' | 109.4° | 110.3° |
| C3' | C08 | C06 | 110.8° | 109.5° |
| C3' | C08 | H8 | 109.0° | 109.5° |
| C3' | C08 | H9 | 109.1° | 109.5° |
| C08 | C3' | H10 | 104.7° | 110.3° |
| C3' | C4' | O09 | 108.9° | 110.3° |
| C3' | C4' | C5' | 105.3° | 105.0° |
| C4' | C3' | H10 | 115.8° | 110.4° |
| C3' | C4' | H11 | 114.6° | 110.3° |
| N01 | C06 | C08 | 119.8° | 119.5° |
| C06 | C08 | H8 | 109.0° | 109.5° |
| C06 | C08 | H9 | 109.0° | 109.5° |
| C2' | N1' | C5' | 112.7° | 104.2° |
| C2' | N1' | H14 | 108.4° | 111.0° |
| N1' | C2' | H16 | 111.3° | 110.4° |
| N1' | C2' | H17 | 111.3° | 110.5° |
| O09 | C4' | C5' | 114.9° | 110.3° |
| C4' | O09 | C10 | 113.0° | 114.0° |
| O09 | C4' | H11 | 104.9° | 110.3° |
| C4' | C5' | N1' | 101.9° | 104.6° |
| C5' | C4' | H11 | 108.5° | 110.4° |
| C4' | C5' | H12 | 112.1° | 110.4° |
| C4' | C5' | H13 | 112.1° | 110.4° |
| O09 | C10 | C11 | 105.1° | 109.5° |
| O09 | C10 | H18 | 110.9° | 109.5° |
| O09 | C10 | H19 | 110.9° | 109.5° |
| C10 | C11 | N12 | 110.3° | 109.4° |
| C11 | C10 | H18 | 111.0° | 109.5° |
| C11 | C10 | H19 | 111.0° | 109.5° |
| C10 | C11 | H20 | 109.2° | 109.5° |
| C10 | C11 | H21 | 109.2° | 109.4° |
| C11 | N12 | C13 | 120.4° | 111.0° |
| N12 | C11 | H20 | 109.2° | 109.5° |
| N12 | C11 | H21 | 109.2° | 109.5° |
| C11 | N12 | H22 | 106.0° | 111.0° |
| N1' | C5' | H12 | 112.1° | 110.5° |
| N1' | C5' | H13 | 112.1° | 110.5° |
| C5' | N1' | H14 | 108.4° | 111.0° |
| N12 | C13 | C22 | 112.0° | 109.4° |
| C13 | N12 | H22 | 106.0° | 111.0° |
| N12 | C13 | H24 | 108.6° | 109.5° |
| N12 | C13 | H25 | 108.6° | 109.4° |
| C24 | C25 | C22 | 108.0° | 106.8° |
| C25 | C24 | C23 | 107.6° | 106.9° |
| C25 | C24 | H27 | 126.2° | 126.6° |
| C24 | C25 | H28 | 126.0° | 126.5° |
| C25 | C22 | C13 | 125.5° | 125.8° |
| C25 | C22 | O21 | 107.9° | 108.5° |
| C22 | C25 | H28 | 126.0° | 126.6° |
| C24 | C23 | O21 | 108.7° | 108.4° |
| C24 | C23 | H26 | 125.7° | 125.8° |
| C23 | C24 | H27 | 126.2° | 126.6° |
| C13 | C22 | O21 | 126.5° | 125.7° |
| C22 | C13 | H24 | 108.7° | 109.5° |
| C22 | C13 | H25 | 108.7° | 109.5° |
| C22 | O21 | C23 | 107.8° | 109.4° |
| O21 | C23 | H26 | 125.7° | 125.8° |
| H1 | N02 | H2 | 109.5° | 120.0° |
| H5 | C07 | H6 | 109.5° | 109.4° |
| H5 | C07 | H7 | 109.5° | 109.4° |
| H6 | C07 | H7 | 109.5° | 109.5° |
| H8 | C08 | H9 | 109.9° | 109.5° |
| H12 | C5' | H13 | 106.7° | 110.3° |
| H16 | C2' | H17 | 107.6° | 110.5° |
| H18 | C10 | H19 | 107.9° | 109.4° |
| H20 | C11 | H21 | 109.8° | 109.5° |
| H24 | C13 | H25 | 110.3° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C03 | C05 | 179.1° | 179.9° |
| C07 | C04 | C03 | C02 | 179.7° | 179.9° |
| C07 | C04 | C05 | C06 | 179.6° | 179.9° |
| C07 | C04 | C03 | H3 | 0.3° | 0.0° |
| C07 | C04 | C05 | H4 | 0.4° | 0.0° |
| C04 | C07 | H5 | H6 | 120.0° | 120.0° |
| C04 | C07 | H5 | H7 | 120.0° | 120.0° |
| C04 | C07 | H6 | H7 | 120.0° | 120.1° |
| C04 | C03 | C02 | H3 | 180.0° | 180.0° |
| C03 | C04 | C05 | C06 | 1.3° | 0.0° |
| C04 | C03 | C02 | N02 | 179.8° | 180.0° |
| C04 | C03 | C02 | N01 | 0.5° | 0.3° |
| C03 | C04 | C05 | H4 | 178.7° | 179.9° |
| C03 | C04 | C07 | H5 | 89.5° | 90.0° |
| C03 | C04 | C07 | H6 | 150.5° | 150.0° |
| C03 | C04 | C07 | H7 | 30.5° | 29.9° |
| C05 | C04 | C03 | C02 | 1.2° | 0.0° |
| C04 | C05 | C06 | H4 | 180.0° | 179.9° |
| C04 | C05 | C06 | N01 | 0.7° | 0.3° |
| C04 | C05 | C06 | C08 | 179.4° | 180.0° |
| C05 | C04 | C03 | H3 | 178.8° | 180.0° |
| C05 | C04 | C07 | H5 | 89.6° | 90.0° |
| C05 | C04 | C07 | H6 | 30.4° | 29.9° |
| C05 | C04 | C07 | H7 | 150.4° | 150.0° |
| C03 | C02 | N02 | N01 | 179.8° | 179.7° |
| C03 | C02 | N01 | C06 | 0.2° | 0.6° |
| C03 | C02 | N02 | H1 | 179.8° | 179.7° |
| C03 | C02 | N02 | H2 | 59.8° | 0.0° |
| C05 | C06 | N01 | C02 | 0.1° | 0.6° |
| C05 | C06 | C08 | C3' | 88.0° | 125.0° |
| C05 | C06 | N01 | C08 | 178.8° | 179.7° |
| C05 | C06 | C08 | H8 | 31.9° | 115.0° |
| C05 | C06 | C08 | H9 | 151.9° | 5.0° |
| N02 | C02 | N01 | C06 | 179.6° | 179.7° |
| C02 | N02 | H1 | H2 | 120.0° | 179.7° |
| N02 | C02 | C03 | H3 | 0.2° | 0.1° |
| C02 | N01 | C06 | C08 | 178.7° | 179.7° |
| N01 | C02 | N02 | H1 | 0.0° | 0.0° |
| N01 | C02 | N02 | H2 | 120.0° | 179.7° |
| N01 | C02 | C03 | H3 | 179.5° | 179.7° |
| C2' | C3' | C08 | C4' | 113.0° | 115.7° |
| C2' | C3' | C08 | H10 | 122.3° | 122.1° |
| C2' | C3' | C4' | H10 | 121.7° | 119.0° |
| C2' | C3' | C08 | C06 | 64.5° | 66.5° |
| C3' | C2' | N1' | H16 | 120.0° | 118.7° |
| C3' | C2' | N1' | H17 | 120.0° | 118.8° |
| C2' | C3' | C4' | O09 | 161.8° | 118.9° |
| C2' | C3' | C4' | C5' | 38.1° | 0.0° |
| C3' | C2' | N1' | C5' | 12.9° | 39.5° |
| C2' | C3' | C08 | H8 | 175.5° | 53.6° |
| C2' | C3' | C08 | H9 | 55.4° | 173.5° |
| C2' | C3' | C4' | H11 | 81.1° | 119.0° |
| C3' | C2' | N1' | H14 | 132.9° | 80.1° |
| C3' | C2' | H16 | H17 | 122.2° | 122.4° |
| C08 | C3' | C4' | H10 | 118.0° | 122.1° |
| C3' | C08 | C06 | N01 | 90.8° | 54.7° |
| C3' | C08 | C06 | H8 | 120.0° | 120.0° |
| C3' | C08 | C06 | H9 | 120.0° | 120.0° |
| C08 | C3' | C2' | N1' | 86.6° | 142.8° |
| C08 | C3' | C4' | O09 | 41.5° | 0.0° |
| C08 | C3' | C4' | C5' | 82.3° | 118.9° |
| C3' | C08 | H8 | H9 | 119.5° | 120.0° |
| C08 | C3' | C4' | H11 | 158.6° | 122.1° |
| C08 | C3' | C2' | H16 | 153.4° | 98.4° |
| C08 | C3' | C2' | H17 | 33.4° | 24.0° |
| C4' | C3' | C08 | C06 | 177.5° | 177.9° |
| C4' | C3' | C2' | N1' | 30.8° | 23.9° |
| C3' | C4' | O09 | C5' | 117.8° | 115.6° |
| C3' | C4' | O09 | H11 | 123.1° | 122.1° |
| C3' | C4' | C5' | H11 | 123.1° | 118.9° |
| C3' | C4' | O09 | C10 | 149.5° | 150.0° |
| C3' | C4' | C5' | N1' | 30.2° | 23.9° |
| C4' | C3' | C08 | H8 | 62.5° | 62.1° |
| C4' | C3' | C08 | H9 | 57.5° | 57.9° |
| C3' | C4' | C5' | H12 | 89.8° | 95.0° |
| C3' | C4' | C5' | H13 | 150.2° | 142.8° |
| C4' | C3' | C2' | H16 | 89.2° | 142.7° |
| C4' | C3' | C2' | H17 | 150.8° | 94.9° |
| N01 | C06 | C05 | H4 | 179.3° | 179.8° |
| N01 | C06 | C08 | H8 | 149.3° | 65.3° |
| N01 | C06 | C08 | H9 | 29.3° | 174.7° |
| C08 | C06 | C05 | H4 | 0.6° | 0.0° |
| C06 | C08 | H8 | H9 | 119.5° | 120.0° |
| C06 | C08 | C3' | H10 | 57.8° | 55.7° |
| C2' | N1' | C5' | C4' | 10.5° | 39.5° |
| C2' | N1' | C5' | H14 | 120.0° | 119.6° |
| N1' | C2' | C3' | H10 | 155.1° | 95.1° |
| C2' | N1' | C5' | H12 | 109.5° | 79.3° |
| C2' | N1' | C5' | H13 | 130.5° | 158.3° |
| N1' | C2' | H16 | H17 | 122.2° | 122.5° |
| O09 | C4' | C5' | H11 | 117.1° | 122.2° |
| C4' | O09 | C10 | C11 | 178.3° | 180.0° |
| O09 | C4' | C5' | N1' | 150.0° | 142.7° |
| O09 | C4' | C3' | H10 | 76.5° | 122.2° |
| O09 | C4' | C5' | H12 | 30.0° | 23.9° |
| O09 | C4' | C5' | H13 | 90.0° | 98.4° |
| C4' | O09 | C10 | H18 | 58.3° | 59.9° |
| C4' | O09 | C10 | H19 | 61.7° | 60.0° |
| C5' | C4' | O09 | C10 | 92.8° | 94.4° |
| C4' | C5' | N1' | H12 | 120.0° | 118.8° |
| C4' | C5' | N1' | H13 | 120.0° | 118.8° |
| C5' | C4' | C3' | H10 | 159.8° | 119.0° |
| C4' | C5' | H12 | H13 | 123.1° | 122.3° |
| C4' | C5' | N1' | H14 | 109.5° | 80.1° |
| O09 | C10 | C11 | H18 | 120.0° | 120.1° |
| O09 | C10 | C11 | H19 | 120.0° | 120.0° |
| O09 | C10 | C11 | N12 | 74.9° | 65.0° |
| C10 | O09 | C4' | H11 | 26.3° | 27.8° |
| O09 | C10 | H18 | H19 | 121.7° | 120.0° |
| O09 | C10 | C11 | H20 | 45.1° | 174.9° |
| O09 | C10 | C11 | H21 | 165.1° | 55.0° |
| C10 | C11 | N12 | H20 | 120.0° | 120.0° |
| C10 | C11 | N12 | H21 | 120.0° | 119.9° |
| C10 | C11 | N12 | C13 | 73.2° | 180.0° |
| C11 | C10 | H18 | H19 | 121.8° | 119.9° |
| C10 | C11 | H20 | H21 | 119.6° | 119.9° |
| C10 | C11 | N12 | H22 | 46.8° | 56.0° |
| C11 | N12 | C13 | H22 | 120.0° | 124.0° |
| C11 | N12 | C13 | C22 | 74.0° | 180.0° |
| N12 | C11 | C10 | H18 | 165.1° | 55.1° |
| N12 | C11 | C10 | H19 | 45.1° | 175.0° |
| N12 | C11 | H20 | H21 | 119.6° | 120.1° |
| C11 | N12 | C13 | H24 | 46.0° | 60.0° |
| C11 | N12 | C13 | H25 | 166.0° | 60.0° |
| N1' | C5' | C4' | H11 | 93.0° | 95.1° |
| N1' | C5' | H12 | H13 | 123.1° | 122.5° |
| C5' | N1' | C2' | H16 | 107.1° | 158.3° |
| C5' | N1' | C2' | H17 | 132.9° | 79.3° |
| N12 | C13 | C22 | C25 | 121.6° | 89.7° |
| N12 | C13 | C22 | H24 | 120.0° | 120.0° |
| N12 | C13 | C22 | H25 | 120.0° | 120.0° |
| N12 | C13 | C22 | O21 | 57.8° | 90.0° |
| C13 | N12 | C11 | H20 | 166.8° | 60.0° |
| C13 | N12 | C11 | H21 | 46.8° | 60.0° |
| N12 | C13 | H24 | H25 | 118.9° | 120.0° |
| C24 | C25 | C22 | H28 | 180.0° | 179.6° |
| C25 | C24 | C23 | H27 | 180.0° | 179.8° |
| C24 | C25 | C22 | C13 | 179.8° | 179.8° |
| C24 | C25 | C22 | O21 | 0.3° | 0.4° |
| C25 | C24 | C23 | O21 | 0.3° | 0.2° |
| C25 | C24 | C23 | H26 | 179.7° | 179.7° |
| C22 | C25 | C24 | C23 | 0.3° | 0.4° |
| C25 | C22 | C13 | O21 | 179.4° | 179.8° |
| C25 | C22 | O21 | C23 | 0.1° | 0.3° |
| C25 | C22 | C13 | H24 | 1.7° | 30.2° |
| C25 | C22 | C13 | H25 | 118.4° | 150.3° |
| C22 | C25 | C24 | H27 | 179.7° | 179.8° |
| C24 | C23 | O21 | C22 | 0.1° | 0.0° |
| C24 | C23 | O21 | H26 | 180.0° | 180.0° |
| C23 | C24 | C25 | H28 | 179.7° | 179.9° |
| C13 | C22 | O21 | C23 | 179.6° | 180.0° |
| C22 | C13 | N12 | H22 | 166.0° | 56.1° |
| C22 | C13 | H24 | H25 | 119.0° | 120.1° |
| C13 | C22 | C25 | H28 | 0.2° | 0.3° |
| O21 | C22 | C13 | H24 | 177.8° | 150.0° |
| O21 | C22 | C13 | H25 | 62.2° | 29.9° |
| C22 | O21 | C23 | H26 | 179.9° | 180.0° |
| O21 | C22 | C25 | H28 | 179.7° | 180.0° |
| O21 | C23 | C24 | H27 | 179.7° | 180.0° |
| H5 | C07 | H6 | H7 | 120.0° | 119.9° |
| H8 | C08 | C3' | H10 | 62.2° | 175.7° |
| H9 | C08 | C3' | H10 | 177.8° | 64.3° |
| H10 | C3' | C4' | H11 | 40.6° | 0.0° |
| H10 | C3' | C2' | H16 | 35.1° | 23.6° |
| H10 | C3' | C2' | H17 | 84.9° | 146.1° |
| H11 | C4' | C5' | H12 | 147.0° | 146.1° |
| H11 | C4' | C5' | H13 | 27.0° | 23.8° |
| H12 | C5' | N1' | H14 | 130.5° | 161.1° |
| H13 | C5' | N1' | H14 | 10.5° | 38.7° |
| H14 | N1' | C2' | H16 | 12.9° | 38.6° |
| H14 | N1' | C2' | H17 | 107.1° | 161.1° |
| H18 | C10 | C11 | H20 | 74.9° | 65.0° |
| H18 | C10 | C11 | H21 | 45.1° | 175.1° |
| H19 | C10 | C11 | H20 | 165.1° | 54.9° |
| H19 | C10 | C11 | H21 | 74.9° | 65.0° |
| H20 | C11 | N12 | H22 | 73.2° | 176.0° |
| H21 | C11 | N12 | H22 | 166.8° | 63.9° |
| H22 | N12 | C13 | H24 | 74.0° | 176.0° |
| H22 | N12 | C13 | H25 | 46.0° | 64.0° |
| H26 | C23 | C24 | H27 | 0.3° | 0.0° |
| H27 | C24 | C25 | H28 | 0.3° | 0.3° |
