XKF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C9 | C10 | doub | 1.35Å | 1.35Å | Aromatic |
| C9 | N6 | sing | 1.34Å | 1.38Å | Aromatic |
| C10 | N1 | sing | 1.37Å | 1.40Å | Aromatic |
| N6 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| N1 | C2 | sing | 1.37Å | 1.38Å | Aromatic |
| C6 | C5 | sing | 1.46Å | 1.42Å | Aromatic |
| N2 | C2 | sing | 1.38Å | 1.33Å | |
| N2 | C3 | sing | 1.47Å | 1.44Å | |
| C2 | N3 | doub | 1.31Å | 1.34Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.39Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.33Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.37Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.38Å | Aromatic |
| N9 | C1' | sing | 1.47Å | 1.47Å | |
| C1' | C2' | sing | 1.55Å | 1.54Å | |
| C1' | O4' | sing | 1.44Å | 1.42Å | |
| O2' | C2' | sing | 1.43Å | 1.41Å | |
| C2' | C3' | sing | 1.55Å | 1.54Å | |
| O4' | C4' | sing | 1.44Å | 1.45Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.50Å | |
| C5' | O5' | sing | 1.45Å | 1.45Å | |
| O5' | C11 | sing | 1.35Å | 1.36Å | |
| C20 | C19 | doub | 1.37Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.51Å | 1.50Å | |
| C19 | C18 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | N12 | sing | 1.35Å | 1.35Å | |
| C11 | O11 | doub | 1.21Å | 1.22Å | |
| C12 | N12 | sing | 1.46Å | 1.46Å | |
| C21 | C14 | sing | 1.47Å | 1.45Å | Aromatic |
| C21 | C16 | doub | 1.41Å | 1.42Å | Aromatic |
| C14 | C15 | doub | 1.34Å | 1.37Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.38Å | Aromatic |
| C16 | C17 | sing | 1.39Å | 1.40Å | Aromatic |
| C16 | N15 | sing | 1.38Å | 1.37Å | Aromatic |
| C15 | N15 | sing | 1.37Å | 1.37Å | Aromatic |
| C3 | H1 | sing | 1.09Å | 1.10Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H4 | sing | 0.97Å | 1.00Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C9 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| N12 | H8 | sing | 0.97Å | 1.00Å | |
| C5' | H9 | sing | 1.09Å | 1.10Å | |
| C5' | H10 | sing | 1.09Å | 1.10Å | |
| C4' | H11 | sing | 1.09Å | 1.10Å | |
| C3' | H12 | sing | 1.09Å | 1.10Å | |
| O3' | H13 | sing | 0.97Å | 0.95Å | |
| C2' | H14 | sing | 1.09Å | 1.10Å | |
| O2' | H15 | sing | 0.97Å | 0.95Å | |
| C1' | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C13 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.08Å | 1.08Å | |
| N15 | H22 | sing | 0.97Å | 1.00Å | |
| C20 | H23 | sing | 1.08Å | 1.08Å | |
| C19 | H24 | sing | 1.08Å | 1.08Å | |
| C18 | H25 | sing | 1.08Å | 1.08Å | |
| C17 | H26 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | N6 | 112.2° | 108.7° |
| C9 | C10 | N1 | 105.4° | 107.1° |
| C10 | C9 | H6 | 123.9° | 125.6° |
| C9 | C10 | H7 | 127.3° | 126.5° |
| C9 | N6 | C6 | 105.1° | 109.3° |
| N6 | C9 | H6 | 123.9° | 125.7° |
| C10 | N1 | C6 | 106.6° | 106.8° |
| C10 | N1 | C2 | 131.0° | 133.5° |
| N1 | C10 | H7 | 127.3° | 126.4° |
| N6 | C6 | N1 | 110.7° | 108.2° |
| N6 | C6 | C5 | 133.4° | 134.1° |
| C6 | N1 | C2 | 122.4° | 119.8° |
| N1 | C6 | C5 | 115.9° | 117.8° |
| N1 | C2 | N2 | 121.3° | 118.8° |
| N1 | C2 | N3 | 121.4° | 122.3° |
| C6 | C5 | N7 | 133.1° | 134.6° |
| C6 | C5 | C4 | 117.5° | 118.0° |
| C2 | N2 | C3 | 121.5° | 120.0° |
| N2 | C2 | N3 | 117.3° | 118.8° |
| C2 | N2 | H4 | 106.4° | 120.0° |
| N2 | C3 | H1 | 109.5° | 109.5° |
| N2 | C3 | H2 | 109.5° | 109.5° |
| N2 | C3 | H3 | 109.5° | 109.5° |
| C3 | N2 | H4 | 106.4° | 120.0° |
| C2 | N3 | C4 | 117.3° | 122.3° |
| N7 | C5 | C4 | 109.4° | 107.5° |
| C5 | N7 | C8 | 105.2° | 109.4° |
| C5 | C4 | N3 | 125.5° | 119.8° |
| C5 | C4 | N9 | 106.7° | 106.0° |
| N7 | C8 | N9 | 112.9° | 109.7° |
| N7 | C8 | H5 | 123.6° | 125.1° |
| N3 | C4 | N9 | 127.8° | 134.2° |
| C4 | N9 | C8 | 105.9° | 107.5° |
| C4 | N9 | C1' | 127.7° | 126.3° |
| C8 | N9 | C1' | 126.1° | 126.3° |
| N9 | C8 | H5 | 123.6° | 125.2° |
| N9 | C1' | C2' | 110.2° | 110.6° |
| N9 | C1' | O4' | 110.4° | 110.7° |
| N9 | C1' | H16 | 110.8° | 110.7° |
| C2' | C1' | O4' | 103.8° | 103.5° |
| C1' | C2' | O2' | 115.8° | 111.0° |
| C1' | C2' | C3' | 103.2° | 102.1° |
| C1' | C2' | H14 | 108.2° | 110.9° |
| C2' | C1' | H16 | 109.8° | 110.6° |
| C1' | O4' | C4' | 103.9° | 107.0° |
| O4' | C1' | H16 | 111.5° | 110.5° |
| O2' | C2' | C3' | 111.2° | 110.9° |
| O2' | C2' | H14 | 109.8° | 110.8° |
| C2' | O2' | H15 | 109.5° | 114.0° |
| C2' | C3' | C4' | 103.2° | 104.2° |
| C2' | C3' | O3' | 115.9° | 110.4° |
| C2' | C3' | H12 | 108.1° | 110.6° |
| C3' | C2' | H14 | 108.2° | 110.9° |
| O4' | C4' | C3' | 106.2° | 107.4° |
| O4' | C4' | C5' | 108.6° | 109.9° |
| O4' | C4' | H11 | 109.2° | 109.9° |
| C4' | C3' | O3' | 111.8° | 110.5° |
| C3' | C4' | C5' | 116.1° | 109.9° |
| C3' | C4' | H11 | 108.1° | 109.9° |
| C4' | C3' | H12 | 108.0° | 110.5° |
| O3' | C3' | H12 | 109.4° | 110.4° |
| C3' | O3' | H13 | 109.5° | 114.1° |
| C4' | C5' | O5' | 108.1° | 109.4° |
| C4' | C5' | H9 | 109.8° | 109.5° |
| C4' | C5' | H10 | 109.8° | 109.5° |
| C5' | C4' | H11 | 108.5° | 109.9° |
| C5' | O5' | C11 | 119.3° | 116.9° |
| O5' | C5' | H9 | 109.8° | 109.4° |
| O5' | C5' | H10 | 109.8° | 109.5° |
| O5' | C11 | N12 | 108.7° | 120.0° |
| O5' | C11 | O11 | 125.5° | 120.1° |
| C19 | C20 | C21 | 119.0° | 119.8° |
| C20 | C19 | C18 | 121.3° | 120.6° |
| C19 | C20 | H23 | 120.5° | 120.1° |
| C20 | C19 | H24 | 119.3° | 119.7° |
| C20 | C21 | C14 | 134.4° | 134.0° |
| C20 | C21 | C16 | 118.6° | 119.9° |
| C21 | C20 | H23 | 120.5° | 120.1° |
| C12 | C13 | C14 | 115.0° | 109.5° |
| C13 | C12 | N12 | 115.0° | 109.5° |
| C13 | C12 | H17 | 108.1° | 109.5° |
| C13 | C12 | H18 | 108.1° | 109.5° |
| C12 | C13 | H19 | 108.1° | 109.5° |
| C12 | C13 | H20 | 108.1° | 109.5° |
| C13 | C14 | C21 | 126.4° | 126.5° |
| C13 | C14 | C15 | 127.9° | 126.5° |
| C14 | C13 | H19 | 108.1° | 109.5° |
| C14 | C13 | H20 | 108.1° | 109.4° |
| C19 | C18 | C17 | 121.6° | 120.6° |
| C18 | C19 | H24 | 119.3° | 119.7° |
| C19 | C18 | H25 | 119.2° | 119.7° |
| N12 | C11 | O11 | 123.8° | 119.9° |
| C11 | N12 | C12 | 123.0° | 120.0° |
| C11 | N12 | H8 | 118.5° | 120.0° |
| C12 | N12 | H8 | 118.5° | 120.0° |
| N12 | C12 | H17 | 108.1° | 109.4° |
| N12 | C12 | H18 | 108.1° | 109.5° |
| C14 | C21 | C16 | 107.0° | 106.0° |
| C21 | C14 | C15 | 105.7° | 107.0° |
| C21 | C16 | C17 | 122.2° | 119.3° |
| C21 | C16 | N15 | 107.6° | 107.1° |
| C14 | C15 | N15 | 110.7° | 109.9° |
| C14 | C15 | H21 | 124.6° | 125.0° |
| C18 | C17 | C16 | 117.3° | 119.8° |
| C17 | C18 | H25 | 119.2° | 119.7° |
| C18 | C17 | H26 | 121.3° | 120.1° |
| C17 | C16 | N15 | 130.2° | 133.5° |
| C16 | C17 | H26 | 121.4° | 120.1° |
| C16 | N15 | C15 | 109.0° | 109.9° |
| C16 | N15 | H22 | 125.5° | 125.0° |
| N15 | C15 | H21 | 124.6° | 125.1° |
| C15 | N15 | H22 | 125.5° | 125.0° |
| H1 | C3 | H2 | 109.5° | 109.4° |
| H1 | C3 | H3 | 109.4° | 109.5° |
| H2 | C3 | H3 | 109.5° | 109.4° |
| H9 | C5' | H10 | 109.5° | 109.5° |
| H17 | C12 | H18 | 109.4° | 109.5° |
| H19 | C13 | H20 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | N6 | H6 | 180.0° | 179.8° |
| C9 | C10 | N1 | H7 | 180.0° | 179.8° |
| C10 | C9 | N6 | C6 | 0.6° | 0.4° |
| C9 | C10 | N1 | C6 | 0.4° | 0.0° |
| C9 | C10 | N1 | C2 | 179.4° | 179.7° |
| N6 | C9 | C10 | N1 | 0.6° | 0.2° |
| C9 | N6 | C6 | N1 | 0.3° | 0.4° |
| C9 | N6 | C6 | C5 | 178.8° | 179.6° |
| N6 | C9 | C10 | H7 | 179.4° | 180.0° |
| C10 | N1 | C6 | N6 | 0.0° | 0.3° |
| C10 | N1 | C6 | C2 | 179.8° | 179.7° |
| C10 | N1 | C6 | C5 | 179.3° | 179.7° |
| C10 | N1 | C2 | N2 | 0.7° | 0.3° |
| C10 | N1 | C2 | N3 | 178.7° | 179.6° |
| N1 | C10 | C9 | H6 | 179.4° | 180.0° |
| N6 | C6 | N1 | C5 | 179.3° | 180.0° |
| N6 | C6 | N1 | C2 | 179.7° | 180.0° |
| N6 | C6 | C5 | N7 | 2.0° | 0.0° |
| N6 | C6 | C5 | C4 | 179.6° | 180.0° |
| C6 | N6 | C9 | H6 | 179.4° | 179.8° |
| C6 | N1 | C2 | N2 | 179.0° | 180.0° |
| C6 | N1 | C2 | N3 | 1.0° | 0.0° |
| N1 | C6 | C5 | N7 | 179.0° | 180.0° |
| N1 | C6 | C5 | C4 | 0.6° | 0.0° |
| C6 | N1 | C10 | H7 | 179.6° | 179.8° |
| C2 | N1 | C6 | C5 | 0.5° | 0.0° |
| N1 | C2 | N2 | N3 | 178.1° | 179.9° |
| N1 | C2 | N2 | C3 | 175.2° | 180.0° |
| N1 | C2 | N3 | C4 | 1.6° | 0.1° |
| N1 | C2 | N2 | H4 | 63.1° | 0.0° |
| C2 | N1 | C10 | H7 | 0.6° | 0.1° |
| C6 | C5 | N7 | C4 | 178.5° | 180.0° |
| C6 | C5 | N7 | C8 | 178.5° | 180.0° |
| C6 | C5 | C4 | N3 | 1.4° | 0.0° |
| C6 | C5 | C4 | N9 | 178.4° | 180.0° |
| C2 | N2 | C3 | H4 | 121.7° | 180.0° |
| N2 | C2 | N3 | C4 | 179.7° | 180.0° |
| C2 | N2 | C3 | H1 | 180.0° | 60.0° |
| C2 | N2 | C3 | H2 | 60.0° | 60.0° |
| C2 | N2 | C3 | H3 | 60.0° | 180.0° |
| C3 | N2 | C2 | N3 | 2.9° | 0.0° |
| N2 | C3 | H1 | H2 | 120.0° | 120.0° |
| N2 | C3 | H1 | H3 | 120.0° | 120.0° |
| N2 | C3 | H2 | H3 | 120.0° | 120.0° |
| C2 | N3 | C4 | C5 | 1.8° | 0.1° |
| C2 | N3 | C4 | N9 | 177.8° | 180.0° |
| N3 | C2 | N2 | H4 | 118.7° | 179.9° |
| N7 | C5 | C4 | N3 | 179.9° | 180.0° |
| N7 | C5 | C4 | N9 | 0.4° | 0.0° |
| C5 | N7 | C8 | N9 | 0.4° | 0.0° |
| C5 | N7 | C8 | H5 | 179.6° | 180.0° |
| C4 | C5 | N7 | C8 | 0.0° | 0.0° |
| C5 | C4 | N3 | N9 | 179.6° | 179.9° |
| C5 | C4 | N9 | C8 | 0.6° | 0.0° |
| C5 | C4 | N9 | C1' | 174.0° | 180.0° |
| N7 | C8 | N9 | C4 | 0.7° | 0.0° |
| N7 | C8 | N9 | H5 | 180.0° | 180.0° |
| N7 | C8 | N9 | C1' | 174.2° | 179.9° |
| N3 | C4 | N9 | C8 | 179.7° | 179.9° |
| N3 | C4 | N9 | C1' | 6.3° | 0.1° |
| C4 | N9 | C8 | C1' | 173.6° | 179.9° |
| C4 | N9 | C1' | C2' | 115.4° | 85.0° |
| C4 | N9 | C1' | O4' | 130.5° | 160.9° |
| C4 | N9 | C8 | H5 | 179.3° | 180.0° |
| C4 | N9 | C1' | H16 | 6.4° | 37.9° |
| C8 | N9 | C1' | C2' | 56.8° | 95.0° |
| C8 | N9 | C1' | O4' | 57.4° | 19.1° |
| C8 | N9 | C1' | H16 | 178.6° | 142.0° |
| N9 | C1' | C2' | O4' | 118.3° | 118.6° |
| N9 | C1' | C2' | H16 | 122.4° | 123.0° |
| N9 | C1' | O4' | H16 | 123.6° | 123.0° |
| N9 | C1' | C2' | O2' | 84.5° | 86.2° |
| N9 | C1' | C2' | C3' | 153.7° | 155.5° |
| N9 | C1' | O4' | C4' | 163.5° | 158.4° |
| C1' | N9 | C8 | H5 | 5.8° | 0.1° |
| N9 | C1' | C2' | H14 | 39.2° | 37.3° |
| C2' | C1' | O4' | H16 | 118.2° | 118.4° |
| C1' | C2' | O2' | C3' | 117.4° | 112.7° |
| C1' | C2' | O2' | H14 | 122.9° | 123.6° |
| C1' | C2' | C3' | H14 | 114.5° | 118.2° |
| C2' | C1' | O4' | C4' | 45.3° | 39.9° |
| C1' | C2' | C3' | C4' | 12.2° | 20.9° |
| C1' | C2' | C3' | O3' | 110.4° | 97.9° |
| C1' | C2' | C3' | H12 | 126.5° | 139.6° |
| C1' | C2' | O2' | H15 | 180.0° | 174.2° |
| O4' | C1' | C2' | O2' | 157.2° | 155.2° |
| O4' | C1' | C2' | C3' | 35.5° | 36.9° |
| C1' | O4' | C4' | C3' | 37.5° | 26.4° |
| C1' | O4' | C4' | C5' | 163.0° | 145.9° |
| C1' | O4' | C4' | H11 | 78.8° | 93.1° |
| O4' | C1' | C2' | H14 | 79.0° | 81.3° |
| O2' | C2' | C3' | H14 | 120.7° | 123.6° |
| O2' | C2' | C3' | C4' | 137.0° | 139.1° |
| O2' | C2' | C3' | O3' | 14.4° | 20.4° |
| O2' | C2' | C3' | H12 | 108.7° | 102.1° |
| O2' | C2' | C1' | H16 | 37.9° | 36.8° |
| C2' | C3' | C4' | O4' | 14.2° | 1.9° |
| C2' | C3' | C4' | O3' | 125.2° | 118.7° |
| C2' | C3' | C4' | H12 | 114.3° | 118.8° |
| C2' | C3' | O3' | H12 | 122.5° | 122.6° |
| C2' | C3' | C4' | C5' | 135.0° | 121.4° |
| C2' | C3' | C4' | H11 | 102.9° | 117.5° |
| C2' | C3' | O3' | H13 | 180.0° | 65.3° |
| C3' | C2' | O2' | H15 | 62.6° | 61.5° |
| C3' | C2' | C1' | H16 | 83.9° | 81.5° |
| O4' | C4' | C3' | C5' | 120.8° | 119.5° |
| O4' | C4' | C3' | H11 | 117.0° | 119.5° |
| O4' | C4' | C3' | O3' | 139.4° | 120.6° |
| O4' | C4' | C5' | H11 | 118.6° | 121.0° |
| O4' | C4' | C5' | O5' | 145.4° | 66.7° |
| O4' | C4' | C5' | H9 | 25.7° | 53.3° |
| O4' | C4' | C5' | H10 | 94.8° | 173.3° |
| O4' | C4' | C3' | H12 | 100.1° | 116.9° |
| C4' | O4' | C1' | H16 | 72.9° | 78.6° |
| C4' | C3' | O3' | H12 | 119.6° | 122.6° |
| C3' | C4' | C5' | H11 | 121.9° | 121.0° |
| C3' | C4' | C5' | O5' | 25.9° | 175.3° |
| C3' | C4' | C5' | H9 | 93.9° | 64.7° |
| C3' | C4' | C5' | H10 | 145.7° | 55.3° |
| C4' | C3' | O3' | H13 | 62.1° | 180.0° |
| C4' | C3' | C2' | H14 | 102.3° | 97.3° |
| O3' | C3' | C4' | C5' | 99.8° | 119.9° |
| O3' | C3' | C4' | H11 | 22.4° | 1.1° |
| O3' | C3' | C2' | H14 | 135.1° | 144.0° |
| C4' | C5' | O5' | H9 | 119.8° | 120.0° |
| C4' | C5' | O5' | H10 | 119.8° | 120.0° |
| C4' | C5' | O5' | C11 | 174.7° | 180.0° |
| C4' | C5' | H9 | H10 | 120.7° | 120.0° |
| C5' | C4' | C3' | H12 | 20.7° | 2.6° |
| C5' | O5' | C11 | N12 | 145.3° | 180.0° |
| C5' | O5' | C11 | O11 | 50.6° | 0.0° |
| O5' | C5' | H9 | H10 | 120.6° | 120.0° |
| O5' | C5' | C4' | H11 | 96.0° | 54.3° |
| O5' | C11 | N12 | O11 | 164.4° | 180.0° |
| O5' | C11 | N12 | C12 | 31.3° | 179.9° |
| O5' | C11 | N12 | H8 | 148.7° | 0.0° |
| C11 | O5' | C5' | H9 | 65.5° | 60.0° |
| C11 | O5' | C5' | H10 | 54.9° | 60.0° |
| C19 | C20 | C21 | H23 | 180.0° | 179.9° |
| C20 | C19 | C18 | H24 | 180.0° | 180.0° |
| C19 | C20 | C21 | C14 | 178.8° | 180.0° |
| C19 | C20 | C21 | C16 | 0.4° | 0.2° |
| C20 | C19 | C18 | C17 | 0.6° | 0.4° |
| C20 | C19 | C18 | H25 | 179.4° | 180.0° |
| C20 | C21 | C14 | C13 | 2.4° | 0.1° |
| C21 | C20 | C19 | C18 | 0.7° | 0.0° |
| C20 | C21 | C14 | C16 | 179.3° | 179.8° |
| C20 | C21 | C14 | C15 | 179.8° | 179.8° |
| C20 | C21 | C16 | C17 | 0.2° | 0.0° |
| C20 | C21 | C16 | N15 | 179.7° | 179.8° |
| C21 | C20 | C19 | H24 | 179.4° | 180.0° |
| C12 | C13 | C14 | H19 | 120.8° | 120.0° |
| C12 | C13 | C14 | H20 | 120.8° | 120.0° |
| C13 | C12 | N12 | C11 | 129.8° | 180.0° |
| C13 | C12 | N12 | H17 | 120.8° | 120.0° |
| C13 | C12 | N12 | H18 | 120.8° | 120.0° |
| C12 | C13 | C14 | C21 | 137.5° | 84.7° |
| C12 | C13 | C14 | C15 | 45.2° | 95.0° |
| C13 | C12 | N12 | H8 | 50.2° | 0.1° |
| C13 | C12 | H17 | H18 | 117.5° | 120.0° |
| C12 | C13 | H19 | H20 | 117.4° | 120.0° |
| C14 | C13 | C12 | N12 | 96.3° | 180.0° |
| C13 | C14 | C21 | C15 | 177.8° | 179.7° |
| C13 | C14 | C21 | C16 | 178.3° | 179.9° |
| C13 | C14 | C15 | N15 | 178.3° | 179.9° |
| C14 | C13 | C12 | H17 | 142.9° | 60.0° |
| C14 | C13 | C12 | H18 | 24.5° | 60.0° |
| C14 | C13 | H19 | H20 | 117.5° | 120.0° |
| C13 | C14 | C15 | H21 | 1.6° | 0.0° |
| C19 | C18 | C17 | H25 | 180.0° | 179.6° |
| C19 | C18 | C17 | C16 | 0.4° | 0.6° |
| C18 | C19 | C20 | H23 | 179.4° | 179.9° |
| C19 | C18 | C17 | H26 | 179.6° | 180.0° |
| C11 | N12 | C12 | H8 | 180.0° | 179.9° |
| C11 | N12 | C12 | H17 | 9.0° | 60.0° |
| C11 | N12 | C12 | H18 | 109.3° | 60.0° |
| O11 | C11 | N12 | C12 | 133.2° | 0.0° |
| O11 | C11 | N12 | H8 | 46.8° | 179.9° |
| N12 | C12 | H17 | H18 | 117.5° | 120.0° |
| N12 | C12 | C13 | H19 | 142.9° | 60.0° |
| N12 | C12 | C13 | H20 | 24.5° | 60.0° |
| C14 | C21 | C16 | C17 | 179.3° | 179.8° |
| C14 | C21 | C16 | N15 | 0.3° | 0.4° |
| C21 | C14 | C15 | N15 | 0.6° | 0.2° |
| C21 | C14 | C13 | H19 | 16.7° | 35.3° |
| C21 | C14 | C13 | H20 | 101.7° | 155.3° |
| C21 | C14 | C15 | H21 | 179.4° | 179.8° |
| C14 | C21 | C20 | H23 | 1.1° | 0.1° |
| C16 | C21 | C14 | C15 | 0.5° | 0.4° |
| C21 | C16 | C17 | C18 | 0.1° | 0.4° |
| C21 | C16 | C17 | N15 | 179.5° | 179.7° |
| C21 | C16 | N15 | C15 | 0.0° | 0.3° |
| C21 | C16 | N15 | H22 | 180.0° | 179.8° |
| C16 | C21 | C20 | H23 | 179.6° | 179.9° |
| C21 | C16 | C17 | H26 | 179.9° | 179.8° |
| C14 | C15 | N15 | C16 | 0.4° | 0.0° |
| C14 | C15 | N15 | H21 | 180.0° | 180.0° |
| C15 | C14 | C13 | H19 | 166.0° | 145.0° |
| C15 | C14 | C13 | H20 | 75.6° | 25.0° |
| C14 | C15 | N15 | H22 | 179.6° | 180.0° |
| C18 | C17 | C16 | H26 | 180.0° | 179.4° |
| C18 | C17 | C16 | N15 | 179.6° | 179.3° |
| C17 | C18 | C19 | H24 | 179.4° | 179.6° |
| C17 | C16 | N15 | C15 | 179.6° | 180.0° |
| C17 | C16 | N15 | H22 | 0.4° | 0.0° |
| C16 | C17 | C18 | H25 | 179.6° | 179.8° |
| C16 | N15 | C15 | H22 | 180.0° | 180.0° |
| C16 | N15 | C15 | H21 | 179.6° | 180.0° |
| N15 | C16 | C17 | H26 | 0.4° | 0.0° |
| H1 | C3 | H2 | H3 | 120.0° | 120.0° |
| H1 | C3 | N2 | H4 | 58.3° | 120.0° |
| H2 | C3 | N2 | H4 | 178.3° | 120.0° |
| H3 | C3 | N2 | H4 | 61.7° | 0.1° |
| H6 | C9 | C10 | H7 | 0.6° | 0.2° |
| H8 | N12 | C12 | H17 | 171.0° | 120.1° |
| H8 | N12 | C12 | H18 | 70.7° | 119.9° |
| H9 | C5' | C4' | H11 | 144.2° | 174.3° |
| H10 | C5' | C4' | H11 | 23.8° | 65.7° |
| H11 | C4' | C3' | H12 | 142.8° | 123.6° |
| H12 | C3' | O3' | H13 | 57.5° | 57.4° |
| H12 | C3' | C2' | H14 | 11.9° | 21.4° |
| H14 | C2' | O2' | H15 | 57.1° | 62.2° |
| H14 | C2' | C1' | H16 | 161.6° | 160.3° |
| H17 | C12 | C13 | H19 | 22.1° | 180.0° |
| H17 | C12 | C13 | H20 | 96.3° | 59.9° |
| H18 | C12 | C13 | H19 | 96.3° | 60.0° |
| H18 | C12 | C13 | H20 | 145.4° | 179.9° |
| H21 | C15 | N15 | H22 | 0.4° | 0.0° |
| H23 | C20 | C19 | H24 | 0.6° | 0.0° |
| H24 | C19 | C18 | H25 | 0.6° | 0.0° |
| H25 | C18 | C17 | H26 | 0.3° | 0.4° |
