XKO
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 | 1.39Å | Aromatic |
| C10 | N1 | sing | 1.37Å | 1.40Å | Aromatic |
| N6 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.37Å | 1.41Å | Aromatic |
| C6 | C5 | sing | 1.46Å | 1.41Å | Aromatic |
| N2 | C2 | sing | 1.38Å | 1.34Å | |
| N2 | C1 | sing | 1.46Å | 1.44Å | |
| C2 | N3 | doub | 1.31Å | 1.32Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.39Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.35Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.38Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.40Å | Aromatic |
| N9 | C16 | sing | 1.47Å | 1.48Å | |
| C16 | C2' | sing | 1.55Å | 1.55Å | |
| C16 | O4' | sing | 1.44Å | 1.41Å | |
| O2' | C2' | sing | 1.43Å | 1.42Å | |
| C2' | C3' | sing | 1.55Å | 1.53Å | |
| O4' | C4' | sing | 1.44Å | 1.44Å | |
| C3' | C4' | sing | 1.54Å | 1.54Å | |
| C3' | O3' | sing | 1.43Å | 1.43Å | |
| C4' | C5' | sing | 1.53Å | 1.49Å | |
| C5' | O5' | sing | 1.43Å | 1.44Å | |
| O5' | S1 | sing | 1.52Å | 1.59Å | |
| C26 | C25 | doub | 1.37Å | 1.38Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.40Å | Aromatic |
| O2 | S1 | doub | 1.42Å | 1.44Å | |
| O24 | C7 | doub | 1.21Å | 1.20Å | |
| C25 | C14 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C28 | doub | 1.38Å | 1.38Å | Aromatic |
| C7 | C11 | sing | 1.51Å | 1.51Å | |
| C7 | N4 | sing | 1.35Å | 1.34Å | |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| S1 | N4 | sing | 1.66Å | 1.69Å | |
| S1 | O3 | doub | 1.42Å | 1.41Å | |
| C14 | C15 | doub | 1.41Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.47Å | 1.45Å | Aromatic |
| C28 | C15 | sing | 1.39Å | 1.40Å | Aromatic |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C15 | N16 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C17 | doub | 1.34Å | 1.36Å | Aromatic |
| N16 | C17 | sing | 1.37Å | 1.37Å | Aromatic |
| C5' | H1 | sing | 1.09Å | 1.10Å | |
| C5' | H2 | sing | 1.09Å | 1.10Å | |
| C4' | H3 | sing | 1.09Å | 1.10Å | |
| C3' | H4 | sing | 1.09Å | 1.10Å | |
| O3' | H5 | sing | 0.97Å | 0.95Å | |
| C2' | H6 | sing | 1.09Å | 1.10Å | |
| O2' | H7 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| N2 | H11 | sing | 0.97Å | 1.00Å | |
| N4 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| N16 | H17 | sing | 0.97Å | 1.00Å | |
| C17 | H18 | sing | 1.08Å | 1.08Å | |
| C25 | H19 | sing | 1.08Å | 1.08Å | |
| C26 | H20 | sing | 1.08Å | 1.08Å | |
| C27 | H21 | sing | 1.08Å | 1.08Å | |
| C28 | H22 | sing | 1.08Å | 1.08Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C1 | H25 | sing | 1.09Å | 1.10Å | |
| C1 | H26 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | N6 | 112.5° | 108.7° |
| C9 | C10 | N1 | 105.8° | 107.1° |
| C10 | C9 | H9 | 123.8° | 125.6° |
| C9 | C10 | H10 | 127.1° | 126.4° |
| C9 | N6 | C6 | 104.4° | 109.3° |
| N6 | C9 | H9 | 123.7° | 125.7° |
| C10 | N1 | C6 | 106.0° | 106.7° |
| C10 | N1 | C2 | 131.4° | 133.5° |
| N1 | C10 | H10 | 127.1° | 126.4° |
| N6 | C6 | N1 | 111.3° | 108.2° |
| N6 | C6 | C5 | 133.2° | 134.1° |
| C6 | N1 | C2 | 122.6° | 119.8° |
| N1 | C6 | C5 | 115.6° | 117.7° |
| N1 | C2 | N2 | 119.4° | 118.8° |
| N1 | C2 | N3 | 121.3° | 122.3° |
| C6 | C5 | N7 | 132.2° | 134.6° |
| C6 | C5 | C4 | 117.4° | 118.0° |
| C2 | N2 | C1 | 123.0° | 120.0° |
| N2 | C2 | N3 | 119.3° | 118.8° |
| C2 | N2 | H11 | 106.0° | 120.0° |
| C1 | N2 | H11 | 106.0° | 120.0° |
| N2 | C1 | H24 | 109.5° | 109.5° |
| N2 | C1 | H25 | 109.5° | 109.5° |
| N2 | C1 | H26 | 109.5° | 109.5° |
| C2 | N3 | C4 | 116.8° | 122.3° |
| N7 | C5 | C4 | 110.4° | 107.4° |
| C5 | N7 | C8 | 104.4° | 109.4° |
| C5 | C4 | N3 | 126.4° | 119.8° |
| C5 | C4 | N9 | 106.5° | 106.0° |
| N3 | C4 | N9 | 127.1° | 134.2° |
| N7 | C8 | N9 | 113.4° | 109.7° |
| N7 | C8 | H8 | 123.3° | 125.2° |
| C4 | N9 | C8 | 105.3° | 107.5° |
| C4 | N9 | C16 | 129.3° | 126.3° |
| C8 | N9 | C16 | 124.9° | 126.3° |
| N9 | C8 | H8 | 123.3° | 125.1° |
| N9 | C16 | C2' | 111.2° | 110.6° |
| N9 | C16 | O4' | 110.0° | 110.6° |
| N9 | C16 | H23 | 110.0° | 110.6° |
| C2' | C16 | O4' | 105.4° | 103.5° |
| C16 | C2' | O2' | 112.0° | 110.9° |
| C16 | C2' | C3' | 103.5° | 102.0° |
| C16 | C2' | H6 | 108.3° | 110.9° |
| C2' | C16 | H23 | 109.1° | 110.7° |
| C16 | O4' | C4' | 106.5° | 106.9° |
| O4' | C16 | H23 | 111.1° | 110.7° |
| O2' | C2' | C3' | 114.3° | 110.9° |
| O2' | C2' | H6 | 110.0° | 110.8° |
| C2' | O2' | H7 | 109.5° | 114.0° |
| C2' | C3' | C4' | 103.6° | 104.2° |
| C2' | C3' | O3' | 114.4° | 110.5° |
| C2' | C3' | H4 | 108.9° | 110.6° |
| C3' | C2' | H6 | 108.5° | 111.0° |
| O4' | C4' | C3' | 108.3° | 107.4° |
| O4' | C4' | C5' | 104.9° | 109.9° |
| O4' | C4' | H3 | 110.1° | 109.9° |
| C4' | C3' | O3' | 110.6° | 110.5° |
| C3' | C4' | C5' | 115.6° | 109.9° |
| C3' | C4' | H3 | 108.7° | 109.9° |
| C4' | C3' | H4 | 108.8° | 110.5° |
| O3' | C3' | H4 | 110.3° | 110.4° |
| C3' | O3' | H5 | 109.5° | 114.0° |
| C4' | C5' | O5' | 108.4° | 109.4° |
| C4' | C5' | H1 | 109.7° | 109.4° |
| C4' | C5' | H2 | 109.7° | 109.5° |
| C5' | C4' | H3 | 109.3° | 109.9° |
| C5' | O5' | S1 | 116.4° | 114.0° |
| O5' | C5' | H1 | 109.7° | 109.5° |
| O5' | C5' | H2 | 109.8° | 109.5° |
| O5' | S1 | O2 | 107.5° | 106.4° |
| O5' | S1 | N4 | 103.6° | 107.2° |
| O5' | S1 | O3 | 107.5° | 106.4° |
| C25 | C26 | C27 | 121.2° | 120.5° |
| C26 | C25 | C14 | 119.1° | 119.8° |
| C26 | C25 | H19 | 120.4° | 120.1° |
| C25 | C26 | H20 | 119.4° | 119.8° |
| C26 | C27 | C28 | 121.5° | 120.6° |
| C27 | C26 | H20 | 119.4° | 119.7° |
| C26 | C27 | H21 | 119.3° | 119.7° |
| O2 | S1 | N4 | 103.4° | 106.4° |
| O2 | S1 | O3 | 119.1° | 123.2° |
| O24 | C7 | C11 | 120.4° | 120.0° |
| O24 | C7 | N4 | 123.8° | 120.0° |
| C25 | C14 | C15 | 118.6° | 119.9° |
| C25 | C14 | C13 | 134.6° | 134.0° |
| C14 | C25 | H19 | 120.5° | 120.1° |
| C27 | C28 | C15 | 117.4° | 119.8° |
| C28 | C27 | H21 | 119.2° | 119.7° |
| C27 | C28 | H22 | 121.3° | 120.1° |
| C11 | C7 | N4 | 115.8° | 120.0° |
| C7 | C11 | C12 | 108.6° | 109.5° |
| C7 | C11 | H13 | 109.7° | 109.5° |
| C7 | C11 | H14 | 109.7° | 109.5° |
| C7 | N4 | S1 | 134.7° | 120.0° |
| C7 | N4 | H12 | 112.7° | 120.0° |
| C11 | C12 | C13 | 115.0° | 109.5° |
| C12 | C11 | H13 | 109.7° | 109.5° |
| C12 | C11 | H14 | 109.7° | 109.4° |
| C11 | C12 | H15 | 108.1° | 109.5° |
| C11 | C12 | H16 | 108.1° | 109.4° |
| N4 | S1 | O3 | 114.5° | 106.4° |
| S1 | N4 | H12 | 112.6° | 119.9° |
| C15 | C14 | C13 | 106.8° | 106.0° |
| C14 | C15 | C28 | 122.2° | 119.3° |
| C14 | C15 | N16 | 107.4° | 107.2° |
| C14 | C13 | C12 | 126.5° | 126.5° |
| C14 | C13 | C17 | 106.0° | 107.0° |
| C28 | C15 | N16 | 130.3° | 133.5° |
| C15 | C28 | H22 | 121.3° | 120.1° |
| C12 | C13 | C17 | 127.4° | 126.5° |
| C13 | C12 | H15 | 108.1° | 109.5° |
| C13 | C12 | H16 | 108.1° | 109.5° |
| C15 | N16 | C17 | 109.1° | 109.9° |
| C15 | N16 | H17 | 125.5° | 125.1° |
| C13 | C17 | N16 | 110.6° | 109.9° |
| C13 | C17 | H18 | 124.7° | 125.0° |
| C17 | N16 | H17 | 125.4° | 125.0° |
| N16 | C17 | H18 | 124.7° | 125.1° |
| H1 | C5' | H2 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.4° | 109.4° |
| H15 | C12 | H16 | 109.5° | 109.5° |
| H24 | C1 | H25 | 109.4° | 109.4° |
| H24 | C1 | H26 | 109.5° | 109.4° |
| H25 | C1 | H26 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C10 | C9 | N6 | H9 | 180.0° | 179.9° |
| C9 | C10 | N1 | H10 | 180.0° | 179.9° |
| C10 | C9 | N6 | C6 | 0.0° | 0.1° |
| C9 | C10 | N1 | C6 | 0.6° | 0.0° |
| C9 | C10 | N1 | C2 | 179.5° | 180.0° |
| N6 | C9 | C10 | N1 | 0.4° | 0.0° |
| C9 | N6 | C6 | N1 | 0.3° | 0.1° |
| C9 | N6 | C6 | C5 | 178.8° | 180.0° |
| N6 | C9 | C10 | H10 | 179.6° | 180.0° |
| C10 | N1 | C6 | N6 | 0.6° | 0.0° |
| C10 | N1 | C6 | C2 | 179.0° | 180.0° |
| C10 | N1 | C6 | C5 | 178.7° | 180.0° |
| C10 | N1 | C2 | N2 | 1.2° | 0.0° |
| C10 | N1 | C2 | N3 | 179.0° | 180.0° |
| N1 | C10 | C9 | H9 | 179.6° | 180.0° |
| N6 | C6 | N1 | C5 | 179.3° | 180.0° |
| N6 | C6 | N1 | C2 | 179.6° | 180.0° |
| N6 | C6 | C5 | N7 | 2.5° | 0.0° |
| N6 | C6 | C5 | C4 | 179.7° | 179.8° |
| C6 | N6 | C9 | H9 | 180.0° | 180.0° |
| C6 | N1 | C2 | N2 | 179.9° | 180.0° |
| C6 | N1 | C2 | N3 | 0.2° | 0.0° |
| N1 | C6 | C5 | N7 | 178.4° | 179.9° |
| N1 | C6 | C5 | C4 | 1.2° | 0.3° |
| C6 | N1 | C10 | H10 | 179.5° | 179.9° |
| C2 | N1 | C6 | C5 | 0.3° | 0.0° |
| N1 | C2 | N2 | N3 | 179.9° | 180.0° |
| N1 | C2 | N2 | C1 | 177.1° | 180.0° |
| N1 | C2 | N3 | C4 | 0.2° | 0.3° |
| C2 | N1 | C10 | H10 | 0.5° | 0.1° |
| N1 | C2 | N2 | H11 | 61.0° | 0.0° |
| C6 | C5 | N7 | C4 | 177.4° | 179.8° |
| C6 | C5 | C4 | N3 | 1.7° | 0.6° |
| C6 | C5 | N7 | C8 | 177.8° | 179.9° |
| C6 | C5 | C4 | N9 | 177.5° | 179.8° |
| C2 | N2 | C1 | H11 | 121.9° | 180.0° |
| N2 | C2 | N3 | C4 | 179.7° | 179.7° |
| C2 | N2 | C1 | H24 | 180.0° | 60.0° |
| C2 | N2 | C1 | H25 | 60.0° | 60.0° |
| C2 | N2 | C1 | H26 | 60.0° | 179.9° |
| C1 | N2 | C2 | N3 | 3.0° | 0.0° |
| N2 | C1 | H24 | H25 | 120.0° | 120.1° |
| N2 | C1 | H24 | H26 | 120.0° | 120.0° |
| N2 | C1 | H25 | H26 | 120.0° | 120.0° |
| C2 | N3 | C4 | C5 | 1.2° | 0.6° |
| C2 | N3 | C4 | N9 | 177.9° | 179.6° |
| N3 | C2 | N2 | H11 | 118.9° | 180.0° |
| N7 | C5 | C4 | N3 | 179.6° | 179.6° |
| N7 | C5 | C4 | N9 | 0.3° | 0.4° |
| C5 | N7 | C8 | N9 | 1.1° | 0.0° |
| C5 | N7 | C8 | H8 | 178.9° | 180.0° |
| C5 | C4 | N3 | N9 | 179.1° | 179.0° |
| C4 | C5 | N7 | C8 | 0.4° | 0.2° |
| C5 | C4 | N9 | C8 | 0.9° | 0.4° |
| C5 | C4 | N9 | C16 | 173.5° | 179.9° |
| N3 | C4 | N9 | C8 | 179.9° | 179.4° |
| N3 | C4 | N9 | C16 | 7.3° | 0.8° |
| N7 | C8 | N9 | C4 | 1.3° | 0.2° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C16 | 174.3° | 179.9° |
| C4 | N9 | C8 | C16 | 173.0° | 179.7° |
| C4 | N9 | C16 | C2' | 125.3° | 84.7° |
| C4 | N9 | C16 | O4' | 118.4° | 161.2° |
| C4 | N9 | C8 | H8 | 178.7° | 179.8° |
| C4 | N9 | C16 | H23 | 4.3° | 38.3° |
| C8 | N9 | C16 | C2' | 46.0° | 95.0° |
| C8 | N9 | C16 | O4' | 70.3° | 19.1° |
| C8 | N9 | C16 | H23 | 167.0° | 142.1° |
| N9 | C16 | C2' | O4' | 119.2° | 118.5° |
| N9 | C16 | C2' | H23 | 121.5° | 122.9° |
| N9 | C16 | O4' | H23 | 122.0° | 122.9° |
| N9 | C16 | C2' | O2' | 85.5° | 86.3° |
| N9 | C16 | C2' | C3' | 151.0° | 155.5° |
| N9 | C16 | O4' | C4' | 156.7° | 158.5° |
| N9 | C16 | C2' | H6 | 36.0° | 37.3° |
| C16 | N9 | C8 | H8 | 5.7° | 0.0° |
| C2' | C16 | O4' | H23 | 118.0° | 118.6° |
| C16 | C2' | O2' | C3' | 117.2° | 112.7° |
| C16 | C2' | O2' | H6 | 120.4° | 123.6° |
| C16 | C2' | C3' | H6 | 114.8° | 118.2° |
| C2' | C16 | O4' | C4' | 36.7° | 40.0° |
| C16 | C2' | C3' | C4' | 14.7° | 20.9° |
| C16 | C2' | C3' | O3' | 105.7° | 97.8° |
| C16 | C2' | C3' | H4 | 130.4° | 139.6° |
| C16 | C2' | O2' | H7 | 180.0° | 174.1° |
| O4' | C16 | C2' | O2' | 155.4° | 155.2° |
| O4' | C16 | C2' | C3' | 31.8° | 37.0° |
| C16 | O4' | C4' | C3' | 27.3° | 26.5° |
| C16 | O4' | C4' | C5' | 151.2° | 145.9° |
| C16 | O4' | C4' | H3 | 91.3° | 93.1° |
| O4' | C16 | C2' | H6 | 83.2° | 81.3° |
| O2' | C2' | C3' | H6 | 123.2° | 123.6° |
| O2' | C2' | C3' | C4' | 136.7° | 139.1° |
| O2' | C2' | C3' | O3' | 16.3° | 20.4° |
| O2' | C2' | C3' | H4 | 107.7° | 102.1° |
| O2' | C2' | C16 | H23 | 36.0° | 36.6° |
| C2' | C3' | C4' | O4' | 6.3° | 2.0° |
| C2' | C3' | C4' | O3' | 123.0° | 118.7° |
| C2' | C3' | C4' | H4 | 115.8° | 118.8° |
| C2' | C3' | O3' | H4 | 123.2° | 122.6° |
| C2' | C3' | C4' | C5' | 123.5° | 121.5° |
| C2' | C3' | C4' | H3 | 113.2° | 117.6° |
| C2' | C3' | O3' | H5 | 180.0° | 65.2° |
| C3' | C2' | O2' | H7 | 62.8° | 61.4° |
| C3' | C2' | C16 | H23 | 87.5° | 81.6° |
| O4' | C4' | C3' | C5' | 117.2° | 119.5° |
| O4' | C4' | C3' | H3 | 119.5° | 119.5° |
| O4' | C4' | C3' | O3' | 129.3° | 120.6° |
| O4' | C4' | C5' | H3 | 118.0° | 121.0° |
| O4' | C4' | C5' | O5' | 179.1° | 66.7° |
| O4' | C4' | C5' | H1 | 59.3° | 53.3° |
| O4' | C4' | C5' | H2 | 61.0° | 173.3° |
| O4' | C4' | C3' | H4 | 109.4° | 116.8° |
| C4' | O4' | C16 | H23 | 81.3° | 78.6° |
| C4' | C3' | O3' | H4 | 120.3° | 122.6° |
| C3' | C4' | C5' | H3 | 122.9° | 121.0° |
| C3' | C4' | C5' | O5' | 60.0° | 175.3° |
| C3' | C4' | C5' | H1 | 59.8° | 64.7° |
| C3' | C4' | C5' | H2 | 179.9° | 55.3° |
| C4' | C3' | O3' | H5 | 63.6° | 180.0° |
| C4' | C3' | C2' | H6 | 100.1° | 97.3° |
| O3' | C3' | C4' | C5' | 113.5° | 119.9° |
| O3' | C3' | C4' | H3 | 9.8° | 1.1° |
| O3' | C3' | C2' | H6 | 139.5° | 144.0° |
| C4' | C5' | O5' | H1 | 119.8° | 119.9° |
| C4' | C5' | O5' | H2 | 119.8° | 120.0° |
| C4' | C5' | O5' | S1 | 162.5° | 180.0° |
| C4' | C5' | H1 | H2 | 120.5° | 120.0° |
| C5' | C4' | C3' | H4 | 7.8° | 2.7° |
| C5' | O5' | S1 | O2 | 11.1° | 171.5° |
| C5' | O5' | S1 | N4 | 98.0° | 75.0° |
| C5' | O5' | S1 | O3 | 140.5° | 38.5° |
| O5' | C5' | H1 | H2 | 120.5° | 120.0° |
| O5' | C5' | C4' | H3 | 62.9° | 54.3° |
| O5' | S1 | O2 | N4 | 109.2° | 114.0° |
| O5' | S1 | O2 | O3 | 122.5° | 123.0° |
| O5' | S1 | N4 | C7 | 26.6° | 65.0° |
| O5' | S1 | N4 | O3 | 116.8° | 113.5° |
| S1 | O5' | C5' | H1 | 42.7° | 60.1° |
| S1 | O5' | C5' | H2 | 77.6° | 60.0° |
| O5' | S1 | N4 | H12 | 153.4° | 115.0° |
| C25 | C26 | C27 | H20 | 180.0° | 179.9° |
| C26 | C25 | C14 | H19 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.2° | 0.1° |
| C26 | C25 | C14 | C15 | 0.1° | 0.0° |
| C26 | C25 | C14 | C13 | 179.1° | 180.0° |
| C25 | C26 | C27 | H21 | 179.9° | 180.0° |
| C27 | C26 | C25 | C14 | 0.0° | 0.1° |
| C26 | C27 | C28 | H21 | 180.0° | 179.9° |
| C26 | C27 | C28 | C15 | 0.1° | 0.0° |
| C27 | C26 | C25 | H19 | 180.0° | 180.0° |
| C26 | C27 | C28 | H22 | 179.9° | 179.9° |
| O2 | S1 | N4 | C7 | 138.6° | 48.5° |
| O2 | S1 | N4 | O3 | 131.2° | 133.0° |
| O2 | S1 | N4 | H12 | 41.4° | 131.5° |
| O24 | C7 | C11 | N4 | 178.9° | 179.9° |
| O24 | C7 | C11 | C12 | 75.1° | 0.1° |
| O24 | C7 | N4 | S1 | 2.8° | 0.0° |
| O24 | C7 | N4 | H12 | 177.2° | 180.0° |
| O24 | C7 | C11 | H13 | 44.7° | 120.0° |
| O24 | C7 | C11 | H14 | 165.0° | 120.0° |
| C25 | C14 | C15 | C13 | 179.5° | 180.0° |
| C25 | C14 | C15 | C28 | 0.2° | 0.0° |
| C25 | C14 | C13 | C12 | 2.9° | 0.1° |
| C25 | C14 | C15 | N16 | 179.9° | 180.0° |
| C25 | C14 | C13 | C17 | 179.7° | 179.7° |
| C14 | C25 | C26 | H20 | 180.0° | 180.0° |
| C27 | C28 | C15 | C14 | 0.1° | 0.0° |
| C27 | C28 | C15 | H22 | 180.0° | 179.9° |
| C27 | C28 | C15 | N16 | 179.9° | 180.0° |
| C28 | C27 | C26 | H20 | 179.8° | 180.0° |
| C7 | C11 | C12 | H13 | 119.9° | 120.1° |
| C7 | C11 | C12 | H14 | 119.9° | 120.0° |
| C11 | C7 | N4 | S1 | 176.1° | 180.0° |
| C7 | C11 | C12 | C13 | 173.7° | 180.0° |
| C11 | C7 | N4 | H12 | 3.9° | 0.1° |
| C7 | C11 | H13 | H14 | 120.4° | 120.0° |
| C7 | C11 | C12 | H15 | 65.5° | 59.9° |
| C7 | C11 | C12 | H16 | 52.9° | 60.1° |
| N4 | C7 | C11 | C12 | 103.8° | 180.0° |
| C7 | N4 | S1 | H12 | 180.0° | 180.0° |
| C7 | N4 | S1 | O3 | 90.2° | 178.5° |
| N4 | C7 | C11 | H13 | 136.4° | 59.9° |
| N4 | C7 | C11 | H14 | 16.1° | 60.1° |
| C11 | C12 | C13 | C14 | 60.0° | 85.4° |
| C11 | C12 | C13 | H15 | 120.8° | 120.1° |
| C11 | C12 | C13 | H16 | 120.8° | 120.0° |
| C11 | C12 | C13 | C17 | 123.8° | 95.0° |
| C12 | C11 | H13 | H14 | 120.4° | 119.9° |
| C11 | C12 | H15 | H16 | 117.5° | 120.0° |
| O3 | S1 | N4 | H12 | 89.8° | 1.5° |
| C14 | C15 | C28 | N16 | 179.9° | 179.9° |
| C15 | C14 | C13 | C12 | 177.7° | 179.9° |
| C15 | C14 | C13 | C17 | 0.9° | 0.3° |
| C14 | C15 | N16 | C17 | 0.1° | 0.2° |
| C14 | C15 | N16 | H17 | 179.9° | 180.0° |
| C15 | C14 | C25 | H19 | 179.8° | 180.0° |
| C14 | C15 | C28 | H22 | 179.9° | 180.0° |
| C13 | C14 | C15 | C28 | 179.3° | 180.0° |
| C14 | C13 | C12 | C17 | 176.1° | 179.6° |
| C13 | C14 | C15 | N16 | 0.6° | 0.0° |
| C14 | C13 | C17 | N16 | 0.9° | 0.4° |
| C14 | C13 | C12 | H15 | 179.2° | 34.7° |
| C14 | C13 | C12 | H16 | 60.8° | 154.7° |
| C14 | C13 | C17 | H18 | 179.1° | 179.7° |
| C13 | C14 | C25 | H19 | 0.9° | 0.0° |
| C28 | C15 | N16 | C17 | 179.8° | 179.7° |
| C28 | C15 | N16 | H17 | 0.2° | 0.0° |
| C15 | C28 | C27 | H21 | 179.9° | 179.9° |
| C12 | C13 | C17 | N16 | 177.7° | 179.9° |
| C13 | C12 | C11 | H13 | 53.8° | 59.9° |
| C13 | C12 | C11 | H14 | 66.5° | 60.0° |
| C13 | C12 | H15 | H16 | 117.5° | 120.0° |
| C12 | C13 | C17 | H18 | 2.3° | 0.1° |
| C15 | N16 | C17 | C13 | 0.5° | 0.4° |
| C15 | N16 | C17 | H17 | 180.0° | 179.8° |
| C15 | N16 | C17 | H18 | 179.4° | 179.7° |
| N16 | C15 | C28 | H22 | 0.1° | 0.1° |
| C13 | C17 | N16 | H18 | 180.0° | 179.8° |
| C17 | C13 | C12 | H15 | 3.0° | 144.9° |
| C17 | C13 | C12 | H16 | 115.4° | 24.9° |
| C13 | C17 | N16 | H17 | 179.5° | 179.8° |
| H1 | C5' | C4' | H3 | 177.2° | 174.3° |
| H2 | C5' | C4' | H3 | 56.9° | 65.7° |
| H3 | C4' | C3' | H4 | 131.1° | 123.7° |
| H4 | C3' | O3' | H5 | 56.8° | 57.4° |
| H4 | C3' | C2' | H6 | 15.5° | 21.4° |
| H6 | C2' | O2' | H7 | 59.6° | 62.3° |
| H6 | C2' | C16 | H23 | 157.5° | 160.2° |
| H9 | C9 | C10 | H10 | 0.4° | 0.1° |
| H11 | N2 | C1 | H24 | 58.1° | 120.0° |
| H11 | N2 | C1 | H25 | 178.1° | 120.0° |
| H11 | N2 | C1 | H26 | 61.9° | 0.0° |
| H13 | C11 | C12 | H15 | 174.6° | 180.0° |
| H13 | C11 | C12 | H16 | 67.0° | 60.0° |
| H14 | C11 | C12 | H15 | 54.3° | 60.0° |
| H14 | C11 | C12 | H16 | 172.7° | 180.0° |
| H17 | N16 | C17 | H18 | 0.5° | 0.0° |
| H19 | C25 | C26 | H20 | 0.0° | 0.1° |
| H20 | C26 | C27 | H21 | 0.1° | 0.1° |
| H21 | C27 | C28 | H22 | 0.1° | 0.0° |
| H24 | C1 | H25 | H26 | 120.0° | 119.9° |
