XKB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.35Å | 1.36Å | Aromatic |
| C9 | N6 | sing | 1.34Å | 1.38Å | Aromatic |
| C10 | N1 | sing | 1.37Å | 1.39Å | Aromatic |
| N6 | C6 | doub | 1.32Å | 1.35Å | Aromatic |
| N1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.37Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.46Å | 1.38Å | Aromatic |
| N2 | C2 | sing | 1.38Å | 1.32Å | |
| C2 | N3 | doub | 1.31Å | 1.33Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.40Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.33Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.39Å | Aromatic |
| N9 | C1' | sing | 1.46Å | 1.46Å | |
| C1' | C2' | sing | 1.55Å | 1.55Å | |
| C1' | O4' | sing | 1.44Å | 1.41Å | |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.43Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.44Å | |
| C4' | C5' | sing | 1.53Å | 1.49Å | |
| C5' | O5' | sing | 1.45Å | 1.44Å | |
| O5' | C11 | sing | 1.35Å | 1.35Å | |
| O11 | C11 | doub | 1.21Å | 1.23Å | |
| C11 | N12 | sing | 1.35Å | 1.33Å | |
| C15 | N15 | sing | 1.37Å | 1.37Å | Aromatic |
| C15 | C14 | doub | 1.34Å | 1.36Å | Aromatic |
| C13 | C14 | sing | 1.51Å | 1.49Å | |
| C13 | C12 | sing | 1.53Å | 1.48Å | |
| N15 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C14 | C21 | sing | 1.46Å | 1.45Å | Aromatic |
| N12 | C12 | sing | 1.47Å | 1.49Å | |
| C16 | C21 | doub | 1.41Å | 1.41Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.40Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | doub | 1.37Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.40Å | Aromatic |
| N12 | H1 | sing | 0.97Å | 1.00Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C5' | H3 | sing | 1.09Å | 1.10Å | |
| C4' | H4 | sing | 1.09Å | 1.10Å | |
| C3' | H5 | sing | 1.09Å | 1.10Å | |
| O3' | H6 | sing | 0.97Å | 0.95Å | |
| C2' | H7 | sing | 1.09Å | 1.10Å | |
| O2' | H8 | sing | 0.97Å | 0.95Å | |
| C1' | H9 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C15 | H17 | sing | 1.08Å | 1.08Å | |
| N15 | H18 | sing | 0.97Å | 1.00Å | |
| C20 | H19 | sing | 1.08Å | 1.08Å | |
| C19 | H20 | sing | 1.08Å | 1.08Å | |
| C18 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | H22 | sing | 1.08Å | 1.08Å | |
| N2 | H23 | sing | 0.97Å | 1.00Å | |
| N2 | H24 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | N6 | 112.4° | 108.7° |
| C9 | C10 | N1 | 105.9° | 107.1° |
| C10 | C9 | H11 | 123.8° | 125.6° |
| C9 | C10 | H12 | 127.1° | 126.5° |
| C9 | N6 | C6 | 103.8° | 109.2° |
| N6 | C9 | H11 | 123.8° | 125.7° |
| C10 | N1 | C6 | 105.9° | 106.8° |
| C10 | N1 | C2 | 130.3° | 133.4° |
| N1 | C10 | H12 | 127.0° | 126.4° |
| N6 | C6 | N1 | 111.9° | 108.2° |
| N6 | C6 | C5 | 132.0° | 134.0° |
| C6 | N1 | C2 | 123.7° | 119.8° |
| N1 | C6 | C5 | 116.1° | 117.8° |
| N1 | C2 | N2 | 118.2° | 118.9° |
| N1 | C2 | N3 | 119.6° | 122.3° |
| C6 | C5 | N7 | 131.9° | 134.6° |
| C6 | C5 | C4 | 117.1° | 117.9° |
| N2 | C2 | N3 | 122.1° | 118.8° |
| C2 | N2 | H23 | 109.5° | 120.0° |
| C2 | N2 | H24 | 109.4° | 120.0° |
| C2 | N3 | C4 | 116.8° | 122.3° |
| N7 | C5 | C4 | 111.0° | 107.4° |
| C5 | N7 | C8 | 103.2° | 109.4° |
| C5 | C4 | N3 | 126.5° | 119.9° |
| C5 | C4 | N9 | 105.8° | 106.0° |
| N7 | C8 | N9 | 112.4° | 109.7° |
| N7 | C8 | H10 | 123.8° | 125.1° |
| N3 | C4 | N9 | 127.7° | 134.1° |
| C4 | N9 | C8 | 107.7° | 107.4° |
| C4 | N9 | C1' | 128.2° | 126.3° |
| C8 | N9 | C1' | 123.9° | 126.3° |
| N9 | C8 | H10 | 123.8° | 125.1° |
| N9 | C1' | C2' | 113.8° | 110.6° |
| N9 | C1' | O4' | 108.3° | 110.7° |
| N9 | C1' | H9 | 110.3° | 110.7° |
| C2' | C1' | O4' | 104.3° | 103.4° |
| C1' | C2' | O2' | 114.8° | 110.9° |
| C1' | C2' | C3' | 102.5° | 102.1° |
| C1' | C2' | H7 | 108.3° | 110.9° |
| C2' | C1' | H9 | 109.1° | 110.6° |
| C1' | O4' | C4' | 106.6° | 107.0° |
| O4' | C1' | H9 | 111.0° | 110.5° |
| O2' | C2' | C3' | 112.3° | 110.9° |
| O2' | C2' | H7 | 110.1° | 110.8° |
| C2' | O2' | H8 | 109.5° | 114.0° |
| C2' | C3' | C4' | 102.5° | 104.2° |
| C2' | C3' | O3' | 116.4° | 110.5° |
| C2' | C3' | H5 | 109.0° | 110.5° |
| C3' | C2' | H7 | 108.5° | 111.0° |
| O4' | C4' | C3' | 108.8° | 107.4° |
| O4' | C4' | C5' | 108.0° | 109.9° |
| O4' | C4' | H4 | 108.8° | 109.9° |
| C4' | C3' | O3' | 109.3° | 110.5° |
| C3' | C4' | C5' | 115.5° | 109.9° |
| C3' | C4' | H4 | 107.4° | 109.9° |
| C4' | C3' | H5 | 108.9° | 110.5° |
| O3' | C3' | H5 | 110.3° | 110.5° |
| C3' | O3' | H6 | 109.5° | 114.0° |
| C4' | C5' | O5' | 106.9° | 109.5° |
| C4' | C5' | H2 | 110.1° | 109.5° |
| C4' | C5' | H3 | 110.1° | 109.4° |
| C5' | C4' | H4 | 108.1° | 109.9° |
| C5' | O5' | C11 | 115.5° | 117.0° |
| O5' | C5' | H2 | 110.1° | 109.5° |
| O5' | C5' | H3 | 110.1° | 109.5° |
| O5' | C11 | O11 | 124.7° | 120.0° |
| O5' | C11 | N12 | 110.1° | 120.0° |
| O11 | C11 | N12 | 125.1° | 120.0° |
| C11 | N12 | C12 | 125.1° | 120.0° |
| C11 | N12 | H1 | 117.5° | 120.0° |
| N15 | C15 | C14 | 110.5° | 109.9° |
| C15 | N15 | C16 | 109.4° | 109.9° |
| N15 | C15 | H17 | 124.8° | 125.0° |
| C15 | N15 | H18 | 125.4° | 125.1° |
| C15 | C14 | C13 | 125.8° | 126.5° |
| C15 | C14 | C21 | 106.2° | 107.0° |
| C14 | C15 | H17 | 124.8° | 125.1° |
| C14 | C13 | C12 | 115.8° | 109.4° |
| C13 | C14 | C21 | 128.0° | 126.5° |
| C14 | C13 | H15 | 107.8° | 109.5° |
| C14 | C13 | H16 | 107.9° | 109.5° |
| C13 | C12 | N12 | 114.9° | 109.4° |
| C13 | C12 | H13 | 108.1° | 109.5° |
| C13 | C12 | H14 | 108.1° | 109.5° |
| C12 | C13 | H15 | 107.9° | 109.5° |
| C12 | C13 | H16 | 107.8° | 109.5° |
| N15 | C16 | C21 | 107.2° | 107.1° |
| N15 | C16 | C17 | 130.4° | 133.5° |
| C16 | N15 | H18 | 125.3° | 125.0° |
| C14 | C21 | C16 | 106.7° | 106.0° |
| C14 | C21 | C20 | 135.2° | 134.0° |
| C12 | N12 | H1 | 117.5° | 120.1° |
| N12 | C12 | H13 | 108.1° | 109.5° |
| N12 | C12 | H14 | 108.1° | 109.4° |
| C21 | C16 | C17 | 122.4° | 119.4° |
| C16 | C21 | C20 | 118.0° | 119.9° |
| C16 | C17 | C18 | 117.7° | 119.7° |
| C16 | C17 | H22 | 121.1° | 120.2° |
| C21 | C20 | C19 | 120.0° | 119.8° |
| C21 | C20 | H19 | 120.0° | 120.1° |
| C17 | C18 | C19 | 121.6° | 120.7° |
| C17 | C18 | H21 | 119.2° | 119.7° |
| C18 | C17 | H22 | 121.2° | 120.1° |
| C20 | C19 | C18 | 120.3° | 120.5° |
| C19 | C20 | H19 | 120.0° | 120.2° |
| C20 | C19 | H20 | 119.9° | 119.7° |
| C18 | C19 | H20 | 119.8° | 119.8° |
| C19 | C18 | H21 | 119.2° | 119.6° |
| H2 | C5' | H3 | 109.4° | 109.5° |
| H13 | C12 | H14 | 109.4° | 109.5° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H23 | N2 | H24 | 109.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | N6 | H11 | 180.0° | 179.8° |
| C9 | C10 | N1 | H12 | 180.0° | 179.9° |
| C10 | C9 | N6 | C6 | 3.0° | 0.2° |
| C9 | C10 | N1 | C6 | 2.7° | 0.0° |
| C9 | C10 | N1 | C2 | 178.7° | 179.9° |
| N6 | C9 | C10 | N1 | 3.6° | 0.1° |
| C9 | N6 | C6 | N1 | 1.2° | 0.2° |
| C9 | N6 | C6 | C5 | 179.0° | 179.9° |
| N6 | C9 | C10 | H12 | 176.4° | 180.0° |
| C10 | N1 | C6 | N6 | 0.9° | 0.1° |
| C10 | N1 | C6 | C2 | 176.4° | 179.9° |
| C10 | N1 | C6 | C5 | 178.9° | 180.0° |
| C10 | N1 | C2 | N2 | 3.8° | 0.2° |
| C10 | N1 | C2 | N3 | 179.9° | 180.0° |
| N1 | C10 | C9 | H11 | 176.4° | 179.9° |
| N6 | C6 | N1 | C5 | 179.9° | 179.9° |
| N6 | C6 | N1 | C2 | 177.3° | 180.0° |
| N6 | C6 | C5 | N7 | 1.2° | 0.1° |
| N6 | C6 | C5 | C4 | 179.8° | 179.9° |
| C6 | N6 | C9 | H11 | 177.0° | 180.0° |
| C6 | N1 | C2 | N2 | 179.2° | 179.7° |
| C6 | N1 | C2 | N3 | 4.5° | 0.0° |
| N1 | C6 | C5 | N7 | 178.9° | 179.9° |
| N1 | C6 | C5 | C4 | 0.1° | 0.0° |
| C6 | N1 | C10 | H12 | 177.3° | 179.9° |
| C2 | N1 | C6 | C5 | 2.6° | 0.1° |
| N1 | C2 | N2 | N3 | 176.2° | 179.8° |
| N1 | C2 | N3 | C4 | 3.5° | 0.0° |
| C2 | N1 | C10 | H12 | 1.3° | 0.0° |
| N1 | C2 | N2 | H23 | 176.2° | 179.7° |
| N1 | C2 | N2 | H24 | 63.8° | 0.2° |
| C6 | C5 | N7 | C4 | 179.1° | 180.0° |
| C6 | C5 | N7 | C8 | 179.8° | 180.0° |
| C6 | C5 | C4 | N3 | 0.6° | 0.0° |
| C6 | C5 | C4 | N9 | 179.2° | 180.0° |
| N2 | C2 | N3 | C4 | 179.7° | 179.8° |
| C2 | N2 | H23 | H24 | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 1.2° | 0.1° |
| C2 | N3 | C4 | N9 | 177.1° | 180.0° |
| N3 | C2 | N2 | H23 | 0.0° | 0.0° |
| N3 | C2 | N2 | H24 | 120.0° | 180.0° |
| N7 | C5 | C4 | N3 | 179.8° | 180.0° |
| N7 | C5 | C4 | N9 | 1.6° | 0.0° |
| C5 | N7 | C8 | N9 | 0.2° | 0.0° |
| C5 | N7 | C8 | H10 | 179.8° | 180.0° |
| C4 | C5 | N7 | C8 | 1.1° | 0.0° |
| C5 | C4 | N3 | N9 | 178.3° | 180.0° |
| C5 | C4 | N9 | C8 | 1.4° | 0.0° |
| C5 | C4 | N9 | C1' | 175.7° | 180.0° |
| N7 | C8 | N9 | C4 | 0.8° | 0.0° |
| N7 | C8 | N9 | H10 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 175.4° | 180.0° |
| N3 | C4 | N9 | C8 | 179.9° | 180.0° |
| N3 | C4 | N9 | C1' | 5.8° | 0.1° |
| C4 | N9 | C8 | C1' | 174.6° | 180.0° |
| C4 | N9 | C1' | C2' | 121.2° | 85.0° |
| C4 | N9 | C1' | O4' | 123.3° | 160.9° |
| C4 | N9 | C1' | H9 | 1.7° | 38.0° |
| C4 | N9 | C8 | H10 | 179.3° | 180.0° |
| C8 | N9 | C1' | C2' | 52.3° | 94.9° |
| C8 | N9 | C1' | O4' | 63.2° | 19.1° |
| C8 | N9 | C1' | H9 | 175.2° | 142.0° |
| N9 | C1' | C2' | O4' | 117.8° | 118.6° |
| N9 | C1' | C2' | H9 | 123.6° | 123.1° |
| N9 | C1' | O4' | H9 | 121.2° | 123.0° |
| N9 | C1' | C2' | O2' | 82.7° | 86.3° |
| N9 | C1' | C2' | C3' | 155.3° | 155.5° |
| N9 | C1' | O4' | C4' | 159.8° | 158.5° |
| N9 | C1' | C2' | H7 | 40.8° | 37.3° |
| C1' | N9 | C8 | H10 | 4.6° | 0.0° |
| C2' | C1' | O4' | H9 | 117.3° | 118.5° |
| C1' | C2' | O2' | C3' | 116.6° | 112.7° |
| C1' | C2' | O2' | H7 | 122.5° | 123.6° |
| C1' | C2' | C3' | H7 | 114.4° | 118.2° |
| C2' | C1' | O4' | C4' | 38.3° | 39.9° |
| C1' | C2' | C3' | C4' | 22.0° | 20.9° |
| C1' | C2' | C3' | O3' | 97.2° | 97.8° |
| C1' | C2' | C3' | H5 | 137.3° | 139.6° |
| C1' | C2' | O2' | H8 | 180.0° | 174.2° |
| O4' | C1' | C2' | O2' | 159.6° | 155.1° |
| O4' | C1' | C2' | C3' | 37.6° | 37.0° |
| C1' | O4' | C4' | C3' | 24.0° | 26.4° |
| C1' | O4' | C4' | C5' | 150.2° | 145.9° |
| C1' | O4' | C4' | H4 | 92.7° | 93.1° |
| O4' | C1' | C2' | H7 | 76.9° | 81.3° |
| O2' | C2' | C3' | H7 | 121.9° | 123.6° |
| O2' | C2' | C3' | C4' | 145.7° | 139.1° |
| O2' | C2' | C3' | O3' | 26.5° | 20.4° |
| O2' | C2' | C3' | H5 | 99.0° | 102.2° |
| O2' | C2' | C1' | H9 | 41.0° | 36.8° |
| C2' | C3' | C4' | O4' | 0.4° | 2.0° |
| C2' | C3' | C4' | O3' | 124.1° | 118.7° |
| C2' | C3' | C4' | H5 | 115.3° | 118.7° |
| C2' | C3' | O3' | H5 | 124.8° | 122.6° |
| C2' | C3' | C4' | C5' | 121.3° | 121.4° |
| C2' | C3' | C4' | H4 | 118.1° | 117.6° |
| C2' | C3' | O3' | H6 | 180.0° | 65.2° |
| C3' | C2' | O2' | H8 | 63.4° | 61.5° |
| C3' | C2' | C1' | H9 | 81.0° | 81.4° |
| O4' | C4' | C3' | C5' | 121.7° | 119.5° |
| O4' | C4' | C3' | H4 | 117.7° | 119.5° |
| O4' | C4' | C3' | O3' | 123.7° | 120.6° |
| O4' | C4' | C5' | H4 | 117.6° | 121.0° |
| O4' | C4' | C5' | O5' | 177.0° | 66.7° |
| O4' | C4' | C5' | H2 | 57.4° | 53.3° |
| O4' | C4' | C5' | H3 | 63.4° | 173.3° |
| O4' | C4' | C3' | H5 | 115.8° | 116.8° |
| C4' | O4' | C1' | H9 | 79.0° | 78.5° |
| C4' | C3' | O3' | H5 | 119.7° | 122.6° |
| C3' | C4' | C5' | H4 | 120.3° | 121.0° |
| C3' | C4' | C5' | O5' | 54.9° | 175.3° |
| C3' | C4' | C5' | H2 | 64.7° | 64.7° |
| C3' | C4' | C5' | H3 | 174.6° | 55.3° |
| C4' | C3' | O3' | H6 | 64.5° | 180.0° |
| C4' | C3' | C2' | H7 | 92.3° | 97.3° |
| O3' | C3' | C4' | C5' | 114.6° | 119.9° |
| O3' | C3' | C4' | H4 | 6.0° | 1.1° |
| O3' | C3' | C2' | H7 | 148.5° | 144.0° |
| C4' | C5' | O5' | H2 | 119.6° | 120.0° |
| C4' | C5' | O5' | H3 | 119.6° | 120.0° |
| C4' | C5' | O5' | C11 | 174.1° | 180.0° |
| C4' | C5' | H2 | H3 | 121.2° | 120.0° |
| C5' | C4' | C3' | H5 | 5.9° | 2.7° |
| C5' | O5' | C11 | O11 | 7.7° | 0.0° |
| C5' | O5' | C11 | N12 | 169.7° | 180.0° |
| O5' | C5' | H2 | H3 | 121.2° | 120.0° |
| O5' | C5' | C4' | H4 | 65.4° | 54.3° |
| O5' | C11 | O11 | N12 | 177.0° | 180.0° |
| O5' | C11 | N12 | C12 | 7.7° | 180.0° |
| O5' | C11 | N12 | H1 | 172.3° | 0.0° |
| C11 | O5' | C5' | H2 | 54.5° | 60.0° |
| C11 | O5' | C5' | H3 | 66.3° | 60.0° |
| O11 | C11 | N12 | C12 | 169.7° | 0.1° |
| O11 | C11 | N12 | H1 | 10.3° | 180.0° |
| C11 | N12 | C12 | C13 | 88.4° | 180.0° |
| C11 | N12 | C12 | H1 | 180.0° | 179.9° |
| C11 | N12 | C12 | H13 | 32.4° | 60.0° |
| C11 | N12 | C12 | H14 | 150.8° | 60.0° |
| N15 | C15 | C14 | H17 | 180.0° | 180.0° |
| N15 | C15 | C14 | C13 | 179.5° | 180.0° |
| C15 | N15 | C16 | H18 | 180.0° | 180.0° |
| N15 | C15 | C14 | C21 | 1.1° | 0.3° |
| C15 | N15 | C16 | C21 | 1.3° | 0.3° |
| C15 | N15 | C16 | C17 | 179.1° | 180.0° |
| C15 | C14 | C13 | C21 | 179.3° | 179.7° |
| C15 | C14 | C13 | C12 | 99.7° | 94.7° |
| C14 | C15 | N15 | C16 | 1.6° | 0.0° |
| C15 | C14 | C21 | C16 | 0.3° | 0.4° |
| C15 | C14 | C21 | C20 | 178.1° | 179.7° |
| C15 | C14 | C13 | H15 | 21.2° | 145.3° |
| C15 | C14 | C13 | H16 | 139.4° | 25.3° |
| C14 | C15 | N15 | H18 | 178.4° | 180.0° |
| C14 | C13 | C12 | H15 | 120.9° | 120.0° |
| C14 | C13 | C12 | H16 | 120.9° | 120.0° |
| C14 | C13 | C12 | N12 | 48.2° | 180.0° |
| C13 | C14 | C21 | C16 | 179.7° | 179.8° |
| C13 | C14 | C21 | C20 | 2.5° | 0.0° |
| C14 | C13 | C12 | H13 | 169.0° | 60.0° |
| C14 | C13 | C12 | H14 | 72.6° | 60.0° |
| C14 | C13 | H15 | H16 | 117.1° | 120.0° |
| C13 | C14 | C15 | H17 | 0.6° | 0.0° |
| C12 | C13 | C14 | C21 | 81.0° | 85.0° |
| C13 | C12 | N12 | H13 | 120.8° | 120.0° |
| C13 | C12 | N12 | H14 | 120.8° | 120.0° |
| C13 | C12 | N12 | H1 | 91.6° | 0.0° |
| C13 | C12 | H13 | H14 | 117.5° | 120.1° |
| C12 | C13 | H15 | H16 | 117.1° | 120.0° |
| N15 | C16 | C21 | C14 | 0.6° | 0.4° |
| N15 | C16 | C21 | C17 | 179.7° | 179.8° |
| N15 | C16 | C21 | C20 | 177.7° | 179.7° |
| N15 | C16 | C17 | C18 | 180.0° | 179.2° |
| C16 | N15 | C15 | H17 | 178.4° | 180.0° |
| N15 | C16 | C17 | H22 | 0.1° | 0.0° |
| C14 | C21 | C16 | C20 | 178.3° | 179.9° |
| C14 | C21 | C16 | C17 | 179.7° | 179.8° |
| C14 | C21 | C20 | C19 | 179.8° | 180.0° |
| C21 | C14 | C13 | H15 | 158.1° | 34.9° |
| C21 | C14 | C13 | H16 | 39.9° | 155.0° |
| C21 | C14 | C15 | H17 | 178.8° | 179.8° |
| C14 | C21 | C20 | H19 | 0.2° | 0.0° |
| N12 | C12 | H13 | H14 | 117.5° | 119.9° |
| N12 | C12 | C13 | H15 | 72.7° | 60.0° |
| N12 | C12 | C13 | H16 | 169.1° | 60.1° |
| C21 | C16 | C17 | C18 | 0.4° | 0.5° |
| C16 | C21 | C20 | C19 | 2.6° | 0.2° |
| C21 | C16 | N15 | H18 | 178.7° | 179.7° |
| C16 | C21 | C20 | H19 | 177.4° | 179.9° |
| C21 | C16 | C17 | H22 | 179.7° | 179.7° |
| C17 | C16 | C21 | C20 | 2.0° | 0.0° |
| C16 | C17 | C18 | H22 | 180.0° | 179.2° |
| C16 | C17 | C18 | C19 | 2.2° | 0.7° |
| C17 | C16 | N15 | H18 | 0.9° | 0.0° |
| C16 | C17 | C18 | H21 | 177.8° | 179.8° |
| C21 | C20 | C19 | H19 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 0.9° | 0.0° |
| C21 | C20 | C19 | H20 | 179.1° | 179.9° |
| C17 | C18 | C19 | C20 | 1.6° | 0.5° |
| C17 | C18 | C19 | H21 | 180.0° | 179.5° |
| C17 | C18 | C19 | H20 | 178.4° | 179.6° |
| C20 | C19 | C18 | H20 | 180.0° | 179.9° |
| C20 | C19 | C18 | H21 | 178.4° | 180.0° |
| C18 | C19 | C20 | H19 | 179.1° | 179.9° |
| C19 | C18 | C17 | H22 | 177.8° | 179.9° |
| H1 | N12 | C12 | H13 | 147.6° | 120.0° |
| H1 | N12 | C12 | H14 | 29.2° | 120.0° |
| H2 | C5' | C4' | H4 | 175.0° | 174.2° |
| H3 | C5' | C4' | H4 | 54.2° | 65.7° |
| H4 | C4' | C3' | H5 | 126.6° | 123.7° |
| H5 | C3' | O3' | H6 | 55.2° | 57.5° |
| H5 | C3' | C2' | H7 | 23.0° | 21.4° |
| H7 | C2' | O2' | H8 | 57.6° | 62.2° |
| H7 | C2' | C1' | H9 | 164.5° | 160.3° |
| H11 | C9 | C10 | H12 | 3.6° | 0.1° |
| H13 | C12 | C13 | H15 | 48.1° | 180.0° |
| H13 | C12 | C13 | H16 | 70.1° | 59.9° |
| H14 | C12 | C13 | H15 | 166.5° | 59.9° |
| H14 | C12 | C13 | H16 | 48.3° | 180.0° |
| H17 | C15 | N15 | H18 | 1.6° | 0.0° |
| H19 | C20 | C19 | H20 | 0.9° | 0.0° |
| H20 | C19 | C18 | H21 | 1.6° | 0.1° |
| H21 | C18 | C17 | H22 | 2.2° | 0.6° |
