CXW
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 | 1.38Å | Aromatic |
| C03 | C02 | sing | 1.39Å | 1.41Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | N02 | sing | 1.39Å | 1.34Å | |
| C02 | N01 | doub | 1.32Å | 1.37Å | Aromatic |
| C06 | N01 | sing | 1.32Å | 1.35Å | Aromatic |
| C06 | C08 | sing | 1.51Å | 1.54Å | |
| C3' | C2' | sing | 1.54Å | 1.52Å | |
| C3' | C4' | sing | 1.54Å | 1.53Å | |
| C3' | C08 | sing | 1.53Å | 1.52Å | |
| C2' | N1' | sing | 1.49Å | 1.46Å | |
| C4' | O09 | sing | 1.43Å | 1.43Å | |
| C4' | C5' | sing | 1.54Å | 1.54Å | |
| O09 | C10 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C11 | N12 | sing | 1.47Å | 1.45Å | |
| N1' | C5' | sing | 1.49Å | 1.46Å | |
| 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 | 1.53Å | |
| C21 | C22 | doub | 1.39Å | 1.49Å | Aromatic |
| C24 | C23 | doub | 1.38Å | 1.40Å | Aromatic |
| C22 | C23 | sing | 1.39Å | 1.40Å | Aromatic |
| C22 | O22 | sing | 1.36Å | 1.36Å | |
| O22 | H1 | sing | 0.97Å | 0.95Å | |
| C23 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C25 | H4 | sing | 1.08Å | 1.08Å | |
| C26 | H5 | sing | 1.08Å | 1.08Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C13 | H7 | sing | 1.09Å | 1.10Å | |
| N12 | H8 | sing | 1.01Å | 1.00Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C10 | H12 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C4' | H14 | sing | 1.09Å | 1.10Å | |
| C5' | H15 | sing | 1.09Å | 1.10Å | |
| C5' | H16 | sing | 1.09Å | 1.10Å | |
| N1' | H17 | sing | 1.01Å | 1.00Å | |
| C2' | H19 | sing | 1.09Å | 1.10Å | |
| C2' | H20 | sing | 1.09Å | 1.10Å | |
| C3' | H21 | sing | 1.09Å | 1.10Å | |
| C08 | H22 | sing | 1.09Å | 1.10Å | |
| C08 | H23 | sing | 1.09Å | 1.10Å | |
| C05 | H24 | sing | 1.08Å | 1.08Å | |
| C07 | H25 | sing | 1.09Å | 1.10Å | |
| C07 | H26 | sing | 1.09Å | 1.10Å | |
| C07 | H27 | sing | 1.09Å | 1.10Å | |
| N02 | H28 | sing | 0.97Å | 1.00Å | |
| N02 | H29 | sing | 0.97Å | 1.00Å | |
| C03 | H30 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C07 | C04 | C03 | 123.5° | 120.7° |
| C07 | C04 | C05 | 116.9° | 120.8° |
| C04 | C07 | H25 | 109.5° | 109.5° |
| C04 | C07 | H26 | 109.5° | 109.4° |
| C04 | C07 | H27 | 109.5° | 109.5° |
| C03 | C04 | C05 | 119.6° | 118.5° |
| C04 | C03 | C02 | 118.2° | 119.1° |
| C04 | C03 | H30 | 120.9° | 120.5° |
| C04 | C05 | C06 | 120.8° | 119.3° |
| C04 | C05 | H24 | 119.6° | 120.3° |
| C03 | C02 | N02 | 120.7° | 119.7° |
| C03 | C02 | N01 | 120.6° | 120.6° |
| C02 | C03 | H30 | 120.9° | 120.4° |
| C05 | C06 | N01 | 119.6° | 120.9° |
| C05 | C06 | C08 | 119.1° | 119.5° |
| C06 | C05 | H24 | 119.6° | 120.4° |
| N02 | C02 | N01 | 118.6° | 119.7° |
| C02 | N02 | H28 | 109.5° | 120.0° |
| C02 | N02 | H29 | 109.5° | 120.0° |
| C02 | N01 | C06 | 121.1° | 121.6° |
| N01 | C06 | C08 | 121.3° | 119.6° |
| C06 | C08 | C3' | 109.1° | 109.5° |
| C06 | C08 | H22 | 109.6° | 109.5° |
| C06 | C08 | H23 | 109.6° | 109.5° |
| C2' | C3' | C4' | 102.3° | 105.0° |
| C2' | C3' | C08 | 113.2° | 110.3° |
| C3' | C2' | N1' | 104.6° | 104.6° |
| C3' | C2' | H19 | 111.1° | 110.4° |
| C3' | C2' | H20 | 111.1° | 110.5° |
| C2' | C3' | H21 | 112.4° | 110.3° |
| C4' | C3' | C08 | 111.2° | 110.3° |
| C3' | C4' | O09 | 111.9° | 110.3° |
| C3' | C4' | C5' | 106.1° | 105.1° |
| C3' | C4' | H14 | 112.2° | 110.4° |
| C4' | C3' | H21 | 114.3° | 110.3° |
| C08 | C3' | H21 | 103.7° | 110.4° |
| C3' | C08 | H22 | 109.6° | 109.5° |
| C3' | C08 | H23 | 109.6° | 109.4° |
| C2' | N1' | C5' | 113.0° | 104.2° |
| C2' | N1' | H17 | 108.3° | 111.0° |
| N1' | C2' | H19 | 111.1° | 110.4° |
| N1' | C2' | H20 | 111.1° | 110.4° |
| O09 | C4' | C5' | 114.9° | 110.3° |
| C4' | O09 | C10 | 108.8° | 114.0° |
| O09 | C4' | H14 | 102.9° | 110.3° |
| C4' | C5' | N1' | 102.6° | 104.6° |
| C5' | C4' | H14 | 109.0° | 110.4° |
| C4' | C5' | H15 | 111.9° | 110.4° |
| C4' | C5' | H16 | 111.9° | 110.4° |
| O09 | C10 | C11 | 107.9° | 109.5° |
| O09 | C10 | H12 | 110.0° | 109.5° |
| O09 | C10 | H13 | 110.0° | 109.5° |
| C10 | C11 | N12 | 110.7° | 109.5° |
| C10 | C11 | H10 | 109.1° | 109.4° |
| C10 | C11 | H11 | 109.1° | 109.5° |
| C11 | C10 | H12 | 110.0° | 109.5° |
| C11 | C10 | H13 | 110.0° | 109.4° |
| C11 | N12 | C13 | 122.0° | 111.0° |
| C11 | N12 | H8 | 105.5° | 111.0° |
| N12 | C11 | H10 | 109.1° | 109.4° |
| N12 | C11 | H11 | 109.1° | 109.5° |
| N1' | C5' | H15 | 111.8° | 110.4° |
| N1' | C5' | H16 | 111.8° | 110.5° |
| C5' | N1' | H17 | 108.3° | 111.0° |
| N12 | C13 | C21 | 114.3° | 109.5° |
| N12 | C13 | H6 | 107.9° | 109.5° |
| N12 | C13 | H7 | 107.9° | 109.5° |
| C13 | N12 | H8 | 105.5° | 111.0° |
| C25 | C26 | C21 | 119.8° | 120.1° |
| C26 | C25 | C24 | 122.0° | 120.1° |
| C26 | C25 | H4 | 119.0° | 120.0° |
| C25 | C26 | H5 | 120.1° | 119.9° |
| C26 | C21 | C13 | 122.6° | 120.1° |
| C26 | C21 | C22 | 118.2° | 119.9° |
| C21 | C26 | H5 | 120.1° | 120.0° |
| C25 | C24 | C23 | 120.5° | 120.1° |
| C25 | C24 | H3 | 119.8° | 120.0° |
| C24 | C25 | H4 | 119.0° | 119.9° |
| C13 | C21 | C22 | 119.2° | 120.0° |
| C21 | C13 | H6 | 107.9° | 109.4° |
| C21 | C13 | H7 | 107.9° | 109.5° |
| C21 | C22 | C23 | 120.1° | 119.9° |
| C21 | C22 | O22 | 119.0° | 120.1° |
| C24 | C23 | C22 | 119.5° | 119.9° |
| C24 | C23 | H2 | 120.3° | 120.0° |
| C23 | C24 | H3 | 119.7° | 119.9° |
| C23 | C22 | O22 | 120.9° | 120.1° |
| C22 | C23 | H2 | 120.2° | 120.0° |
| C22 | O22 | H1 | 109.5° | 114.0° |
| H6 | C13 | H7 | 111.0° | 109.5° |
| H10 | C11 | H11 | 109.9° | 109.5° |
| H12 | C10 | H13 | 108.9° | 109.5° |
| H15 | C5' | H16 | 107.0° | 110.4° |
| H19 | C2' | H20 | 107.8° | 110.3° |
| H22 | C08 | H23 | 109.3° | 109.5° |
| H25 | C07 | H26 | 109.5° | 109.5° |
| H25 | C07 | H27 | 109.5° | 109.5° |
| H26 | C07 | H27 | 109.5° | 109.5° |
| H28 | N02 | H29 | 109.5° | 119.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C07 | C04 | C03 | C05 | 179.8° | 180.0° |
| C07 | C04 | C03 | C02 | 178.7° | 179.7° |
| C07 | C04 | C05 | C06 | 180.0° | 180.0° |
| C07 | C04 | C05 | H24 | 0.0° | 0.1° |
| C04 | C07 | H25 | H26 | 120.0° | 120.0° |
| C04 | C07 | H25 | H27 | 120.0° | 120.0° |
| C04 | C07 | H26 | H27 | 120.0° | 120.0° |
| C07 | C04 | C03 | H30 | 1.3° | 0.0° |
| C04 | C03 | C02 | H30 | 180.0° | 179.7° |
| C03 | C04 | C05 | C06 | 0.1° | 0.0° |
| C04 | C03 | C02 | N02 | 178.7° | 180.0° |
| C04 | C03 | C02 | N01 | 3.4° | 0.6° |
| C03 | C04 | C05 | H24 | 179.9° | 179.9° |
| C03 | C04 | C07 | H25 | 89.9° | 90.0° |
| C03 | C04 | C07 | H26 | 150.1° | 150.0° |
| C03 | C04 | C07 | H27 | 30.1° | 30.0° |
| C05 | C04 | C03 | C02 | 1.5° | 0.3° |
| C04 | C05 | C06 | H24 | 180.0° | 179.9° |
| C04 | C05 | C06 | N01 | 0.5° | 0.0° |
| C04 | C05 | C06 | C08 | 178.8° | 179.8° |
| C05 | C04 | C07 | H25 | 89.9° | 90.0° |
| C05 | C04 | C07 | H26 | 30.1° | 30.0° |
| C05 | C04 | C07 | H27 | 150.1° | 150.0° |
| C05 | C04 | C03 | H30 | 178.4° | 180.0° |
| C03 | C02 | N02 | N01 | 175.5° | 179.4° |
| C03 | C02 | N01 | C06 | 3.8° | 0.6° |
| C03 | C02 | N02 | H28 | 175.5° | 179.5° |
| C03 | C02 | N02 | H29 | 55.5° | 0.6° |
| C05 | C06 | N01 | C02 | 2.3° | 0.3° |
| C05 | C06 | N01 | C08 | 178.3° | 179.7° |
| C05 | C06 | C08 | C3' | 92.7° | 125.3° |
| C05 | C06 | C08 | H22 | 147.3° | 5.3° |
| C05 | C06 | C08 | H23 | 27.3° | 114.8° |
| N02 | C02 | N01 | C06 | 179.3° | 180.0° |
| C02 | N02 | H28 | H29 | 120.0° | 179.9° |
| N02 | C02 | C03 | H30 | 1.3° | 0.3° |
| C02 | N01 | C06 | C08 | 179.3° | 180.0° |
| N01 | C02 | N02 | H28 | 0.0° | 0.0° |
| N01 | C02 | N02 | H29 | 120.0° | 180.0° |
| N01 | C02 | C03 | H30 | 176.6° | 179.8° |
| N01 | C06 | C08 | C3' | 85.6° | 55.0° |
| N01 | C06 | C08 | H22 | 34.3° | 175.0° |
| N01 | C06 | C08 | H23 | 154.3° | 65.0° |
| N01 | C06 | C05 | H24 | 179.5° | 179.9° |
| C06 | C08 | C3' | C2' | 65.8° | 66.5° |
| C06 | C08 | C3' | C4' | 179.6° | 177.9° |
| C06 | C08 | C3' | H22 | 120.0° | 120.0° |
| C06 | C08 | C3' | H23 | 120.0° | 120.0° |
| C06 | C08 | C3' | H21 | 56.3° | 55.7° |
| C06 | C08 | H22 | H23 | 120.2° | 120.0° |
| C08 | C06 | C05 | H24 | 1.2° | 0.3° |
| C2' | C3' | C4' | C08 | 121.2° | 118.9° |
| C2' | C3' | C4' | H21 | 121.8° | 118.9° |
| C2' | C3' | C08 | H21 | 122.1° | 122.2° |
| C3' | C2' | N1' | H19 | 120.0° | 118.8° |
| C3' | C2' | N1' | H20 | 120.0° | 118.9° |
| C2' | C3' | C4' | O09 | 159.8° | 118.9° |
| C2' | C3' | C4' | C5' | 33.8° | 0.0° |
| C3' | C2' | N1' | C5' | 15.8° | 39.5° |
| C2' | C3' | C4' | H14 | 85.1° | 119.0° |
| C3' | C2' | N1' | H17 | 135.8° | 80.0° |
| C3' | C2' | H19 | H20 | 122.0° | 122.5° |
| C2' | C3' | C08 | H22 | 54.2° | 173.5° |
| C2' | C3' | C08 | H23 | 174.2° | 53.5° |
| C4' | C3' | C08 | H21 | 123.3° | 122.2° |
| C4' | C3' | C2' | N1' | 29.9° | 23.9° |
| C3' | C4' | O09 | C5' | 121.0° | 115.6° |
| C3' | C4' | O09 | H14 | 120.7° | 122.2° |
| C3' | C4' | C5' | H14 | 121.0° | 119.0° |
| C3' | C4' | O09 | C10 | 157.8° | 152.9° |
| C3' | C4' | C5' | N1' | 24.4° | 23.9° |
| C3' | C4' | C5' | H15 | 95.6° | 94.9° |
| C3' | C4' | C5' | H16 | 144.4° | 142.7° |
| C4' | C3' | C2' | H19 | 90.1° | 94.9° |
| C4' | C3' | C2' | H20 | 149.9° | 142.7° |
| C4' | C3' | C08 | H22 | 60.4° | 57.9° |
| C4' | C3' | C08 | H23 | 59.6° | 62.1° |
| C08 | C3' | C2' | N1' | 89.9° | 142.8° |
| C08 | C3' | C4' | O09 | 38.6° | 0.0° |
| C08 | C3' | C4' | C5' | 87.4° | 118.9° |
| C08 | C3' | C4' | H14 | 153.7° | 122.1° |
| C08 | C3' | C2' | H19 | 150.1° | 23.9° |
| C08 | C3' | C2' | H20 | 30.1° | 98.4° |
| C3' | C08 | H22 | H23 | 120.1° | 120.0° |
| C2' | N1' | C5' | C4' | 5.3° | 39.5° |
| C2' | N1' | C5' | H17 | 120.0° | 119.5° |
| C2' | N1' | C5' | H15 | 114.7° | 79.3° |
| C2' | N1' | C5' | H16 | 125.3° | 158.3° |
| N1' | C2' | H19 | H20 | 122.0° | 122.3° |
| N1' | C2' | C3' | H21 | 153.0° | 95.0° |
| O09 | C4' | C5' | H14 | 114.8° | 122.1° |
| C4' | O09 | C10 | C11 | 175.9° | 179.9° |
| O09 | C4' | C5' | N1' | 148.6° | 142.7° |
| C4' | O09 | C10 | H12 | 64.1° | 60.0° |
| C4' | O09 | C10 | H13 | 55.9° | 60.0° |
| O09 | C4' | C5' | H15 | 28.6° | 24.0° |
| O09 | C4' | C5' | H16 | 91.4° | 98.4° |
| O09 | C4' | C3' | H21 | 78.4° | 122.2° |
| C5' | C4' | O09 | C10 | 81.2° | 91.5° |
| C4' | C5' | N1' | H15 | 120.0° | 118.8° |
| C4' | C5' | N1' | H16 | 120.0° | 118.8° |
| C4' | C5' | H15 | H16 | 122.8° | 122.4° |
| C4' | C5' | N1' | H17 | 114.7° | 80.0° |
| C5' | C4' | C3' | H21 | 155.6° | 118.9° |
| O09 | C10 | C11 | H12 | 120.0° | 120.0° |
| O09 | C10 | C11 | H13 | 120.0° | 120.0° |
| O09 | C10 | C11 | N12 | 67.0° | 65.0° |
| O09 | C10 | C11 | H10 | 53.0° | 55.0° |
| O09 | C10 | C11 | H11 | 173.0° | 175.0° |
| O09 | C10 | H12 | H13 | 120.7° | 120.0° |
| C10 | O09 | C4' | H14 | 37.1° | 30.7° |
| C10 | C11 | N12 | H10 | 120.0° | 119.9° |
| C10 | C11 | N12 | H11 | 120.0° | 120.1° |
| C10 | C11 | N12 | C13 | 91.2° | 180.0° |
| C10 | C11 | N12 | H8 | 28.8° | 56.0° |
| C10 | C11 | H10 | H11 | 119.5° | 120.0° |
| C11 | C10 | H12 | H13 | 120.6° | 120.0° |
| C11 | N12 | C13 | H8 | 120.0° | 123.9° |
| C11 | N12 | C13 | C21 | 63.7° | 180.0° |
| C11 | N12 | C13 | H6 | 56.3° | 60.1° |
| C11 | N12 | C13 | H7 | 176.3° | 60.0° |
| N12 | C11 | H10 | H11 | 119.5° | 120.0° |
| N12 | C11 | C10 | H12 | 173.0° | 175.0° |
| N12 | C11 | C10 | H13 | 53.0° | 55.0° |
| N1' | C5' | C4' | H14 | 96.6° | 95.1° |
| N1' | C5' | H15 | H16 | 122.7° | 122.5° |
| C5' | N1' | C2' | H19 | 104.2° | 79.3° |
| C5' | N1' | C2' | H20 | 135.8° | 158.4° |
| N12 | C13 | C21 | C26 | 51.3° | 100.0° |
| N12 | C13 | C21 | H6 | 120.0° | 120.0° |
| N12 | C13 | C21 | H7 | 120.0° | 120.1° |
| N12 | C13 | C21 | C22 | 128.7° | 79.4° |
| N12 | C13 | H6 | H7 | 118.0° | 120.1° |
| C13 | N12 | C11 | H10 | 148.8° | 60.0° |
| C13 | N12 | C11 | H11 | 28.8° | 59.9° |
| C25 | C26 | C21 | H5 | 180.0° | 179.7° |
| C26 | C25 | C24 | H4 | 180.0° | 180.0° |
| C25 | C26 | C21 | C13 | 179.9° | 180.0° |
| C25 | C26 | C21 | C22 | 0.1° | 0.6° |
| C26 | C25 | C24 | C23 | 0.1° | 0.0° |
| C26 | C25 | C24 | H3 | 179.9° | 180.0° |
| C21 | C26 | C25 | C24 | 0.0° | 0.3° |
| C26 | C21 | C13 | C22 | 180.0° | 179.4° |
| C26 | C21 | C22 | C23 | 0.2° | 0.6° |
| C26 | C21 | C22 | O22 | 179.8° | 179.7° |
| C21 | C26 | C25 | H4 | 180.0° | 179.7° |
| C26 | C21 | C13 | H6 | 171.3° | 20.0° |
| C26 | C21 | C13 | H7 | 68.7° | 140.0° |
| C25 | C24 | C23 | H3 | 180.0° | 180.0° |
| C25 | C24 | C23 | C22 | 0.2° | 0.0° |
| C25 | C24 | C23 | H2 | 179.8° | 179.9° |
| C24 | C25 | C26 | H5 | 180.0° | 180.0° |
| C13 | C21 | C22 | C23 | 179.8° | 180.0° |
| C13 | C21 | C22 | O22 | 0.2° | 0.3° |
| C13 | C21 | C26 | H5 | 0.1° | 0.3° |
| C21 | C13 | H6 | H7 | 118.0° | 120.0° |
| C21 | C13 | N12 | H8 | 176.3° | 56.1° |
| C21 | C22 | C23 | C24 | 0.3° | 0.3° |
| C21 | C22 | C23 | O22 | 179.6° | 179.7° |
| C21 | C22 | O22 | H1 | 180.0° | 90.3° |
| C21 | C22 | C23 | H2 | 179.7° | 179.8° |
| C22 | C21 | C26 | H5 | 180.0° | 179.7° |
| C22 | C21 | C13 | H6 | 8.7° | 160.6° |
| C22 | C21 | C13 | H7 | 111.3° | 40.6° |
| C24 | C23 | C22 | H2 | 180.0° | 180.0° |
| C24 | C23 | C22 | O22 | 179.9° | 180.0° |
| C23 | C24 | C25 | H4 | 179.9° | 180.0° |
| C23 | C22 | O22 | H1 | 0.4° | 90.0° |
| C22 | C23 | C24 | H3 | 179.8° | 180.0° |
| O22 | C22 | C23 | H2 | 0.2° | 0.0° |
| H2 | C23 | C24 | H3 | 0.2° | 0.0° |
| H3 | C24 | C25 | H4 | 0.1° | 0.0° |
| H4 | C25 | C26 | H5 | 0.0° | 0.0° |
| H6 | C13 | N12 | H8 | 63.7° | 63.9° |
| H7 | C13 | N12 | H8 | 56.3° | 176.1° |
| H8 | N12 | C11 | H10 | 91.2° | 63.9° |
| H8 | N12 | C11 | H11 | 148.8° | 176.1° |
| H10 | C11 | C10 | H12 | 66.9° | 65.1° |
| H10 | C11 | C10 | H13 | 173.1° | 175.0° |
| H11 | C11 | C10 | H12 | 53.1° | 54.9° |
| H11 | C11 | C10 | H13 | 66.9° | 65.0° |
| H14 | C4' | C5' | H15 | 143.4° | 146.1° |
| H14 | C4' | C5' | H16 | 23.4° | 23.7° |
| H14 | C4' | C3' | H21 | 36.7° | 0.1° |
| H15 | C5' | N1' | H17 | 125.3° | 161.2° |
| H16 | C5' | N1' | H17 | 5.3° | 38.8° |
| H17 | N1' | C2' | H19 | 15.8° | 161.1° |
| H17 | N1' | C2' | H20 | 104.2° | 38.9° |
| H19 | C2' | C3' | H21 | 33.0° | 146.2° |
| H20 | C2' | C3' | H21 | 87.0° | 23.8° |
| H21 | C3' | C08 | H22 | 176.3° | 64.3° |
| H21 | C3' | C08 | H23 | 63.8° | 175.7° |
| H25 | C07 | H26 | H27 | 120.0° | 120.0° |
