XKK
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 | 1.39Å | Aromatic |
| C10 | N1 | sing | 1.37Å | 1.40Å | Aromatic |
| N6 | C6 | doub | 1.32Å | 1.33Å | Aromatic |
| N1 | C6 | sing | 1.37Å | 1.40Å | Aromatic |
| N1 | C2 | sing | 1.37Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.46Å | 1.41Å | Aromatic |
| N2 | C2 | sing | 1.38Å | 1.32Å | |
| C2 | N3 | doub | 1.31Å | 1.34Å | Aromatic |
| C5 | N7 | sing | 1.35Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.40Å | 1.40Å | Aromatic |
| N7 | C8 | doub | 1.30Å | 1.32Å | Aromatic |
| N3 | C4 | sing | 1.34Å | 1.34Å | Aromatic |
| C4 | N9 | sing | 1.37Å | 1.39Å | Aromatic |
| C8 | N9 | sing | 1.36Å | 1.39Å | Aromatic |
| N9 | C16 | sing | 1.46Å | 1.44Å | |
| C16 | C2' | sing | 1.55Å | 1.54Å | |
| 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 | 1.43Å | |
| 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 | 1.47Å | |
| O24 | C7 | doub | 1.21Å | 1.21Å | |
| O5' | S1 | sing | 1.52Å | 1.60Å | |
| N4 | C7 | sing | 1.35Å | 1.32Å | |
| N4 | S1 | sing | 1.66Å | 1.69Å | |
| O3 | S1 | doub | 1.42Å | 1.43Å | |
| C7 | C11 | sing | 1.51Å | 1.50Å | |
| S1 | O2 | doub | 1.42Å | 1.40Å | |
| C17 | N16 | sing | 1.37Å | 1.38Å | Aromatic |
| C17 | C13 | doub | 1.34Å | 1.37Å | Aromatic |
| N16 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.53Å | 1.52Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C13 | C14 | sing | 1.46Å | 1.45Å | Aromatic |
| C15 | C14 | doub | 1.41Å | 1.41Å | Aromatic |
| C15 | C28 | sing | 1.39Å | 1.39Å | Aromatic |
| C14 | C25 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C26 | doub | 1.37Å | 1.37Å | Aromatic |
| C27 | C26 | sing | 1.39Å | 1.39Å | 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 | |
| N2 | H12 | sing | 0.97Å | 1.00Å | |
| N4 | H13 | sing | 0.97Å | 1.00Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C11 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| N16 | H18 | sing | 0.97Å | 1.00Å | |
| C17 | H19 | sing | 1.08Å | 1.08Å | |
| C25 | H20 | sing | 1.08Å | 1.08Å | |
| C26 | H21 | sing | 1.08Å | 1.08Å | |
| C27 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H23 | sing | 1.08Å | 1.08Å | |
| C16 | H24 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C10 | C9 | N6 | 111.5° | 108.6° |
| C9 | C10 | N1 | 105.9° | 107.1° |
| C10 | C9 | H9 | 124.3° | 125.7° |
| C9 | C10 | H10 | 127.1° | 126.4° |
| C9 | N6 | C6 | 105.0° | 109.3° |
| N6 | C9 | H9 | 124.2° | 125.7° |
| C10 | N1 | C6 | 106.0° | 106.7° |
| C10 | N1 | C2 | 131.3° | 133.4° |
| N1 | C10 | H10 | 127.0° | 126.4° |
| N6 | C6 | N1 | 111.6° | 108.2° |
| N6 | C6 | C5 | 132.9° | 134.0° |
| C6 | N1 | C2 | 122.8° | 119.8° |
| N1 | C6 | C5 | 115.5° | 117.7° |
| N1 | C2 | N2 | 119.3° | 118.8° |
| N1 | C2 | N3 | 121.5° | 122.3° |
| C6 | C5 | N7 | 131.9° | 134.7° |
| C6 | C5 | C4 | 117.5° | 117.9° |
| N2 | C2 | N3 | 119.3° | 118.9° |
| C2 | N2 | H11 | 109.5° | 120.0° |
| C2 | N2 | H12 | 109.5° | 120.0° |
| C2 | N3 | C4 | 116.1° | 122.4° |
| N7 | C5 | C4 | 110.6° | 107.4° |
| C5 | N7 | C8 | 105.2° | 109.4° |
| C5 | C4 | N3 | 126.6° | 119.9° |
| C5 | C4 | N9 | 105.6° | 106.0° |
| N7 | C8 | N9 | 112.9° | 109.7° |
| N7 | C8 | H8 | 123.6° | 125.2° |
| N3 | C4 | N9 | 127.8° | 134.2° |
| C4 | N9 | C8 | 105.7° | 107.4° |
| C4 | N9 | C16 | 129.4° | 126.3° |
| C8 | N9 | C16 | 124.8° | 126.3° |
| N9 | C8 | H8 | 123.6° | 125.1° |
| N9 | C16 | C2' | 112.7° | 110.6° |
| N9 | C16 | O4' | 106.6° | 110.7° |
| N9 | C16 | H24 | 111.0° | 110.6° |
| C2' | C16 | O4' | 105.5° | 103.5° |
| C16 | C2' | O2' | 113.7° | 110.9° |
| C16 | C2' | C3' | 101.5° | 102.1° |
| C16 | C2' | H6 | 108.7° | 110.9° |
| C2' | C16 | H24 | 109.6° | 110.6° |
| C16 | O4' | C4' | 106.4° | 107.0° |
| O4' | C16 | H24 | 111.4° | 110.6° |
| O2' | C2' | C3' | 113.4° | 110.9° |
| O2' | C2' | H6 | 110.3° | 110.8° |
| C2' | O2' | H7 | 109.5° | 114.0° |
| C2' | C3' | C4' | 103.3° | 104.2° |
| C2' | C3' | O3' | 116.4° | 110.5° |
| C2' | C3' | H4 | 108.8° | 110.6° |
| C3' | C2' | H6 | 108.8° | 110.9° |
| O4' | C4' | C3' | 108.6° | 107.4° |
| O4' | C4' | C5' | 107.5° | 109.9° |
| O4' | C4' | H3 | 108.9° | 109.8° |
| C4' | C3' | O3' | 109.0° | 110.5° |
| C3' | C4' | C5' | 116.0° | 109.9° |
| C3' | C4' | H3 | 107.6° | 109.9° |
| C4' | C3' | H4 | 108.7° | 110.5° |
| O3' | C3' | H4 | 110.2° | 110.4° |
| C3' | O3' | H5 | 109.5° | 114.0° |
| C4' | C5' | O5' | 107.4° | 109.5° |
| C4' | C5' | H1 | 110.0° | 109.5° |
| C4' | C5' | H2 | 110.0° | 109.4° |
| C5' | C4' | H3 | 108.1° | 109.9° |
| C5' | O5' | S1 | 117.0° | 114.0° |
| O5' | C5' | H1 | 110.0° | 109.5° |
| O5' | C5' | H2 | 110.0° | 109.4° |
| O24 | C7 | N4 | 122.4° | 119.9° |
| O24 | C7 | C11 | 122.1° | 120.0° |
| O5' | S1 | N4 | 93.7° | 107.2° |
| O5' | S1 | O3 | 111.5° | 106.4° |
| O5' | S1 | O2 | 112.5° | 106.4° |
| C7 | N4 | S1 | 130.3° | 120.1° |
| N4 | C7 | C11 | 115.5° | 120.1° |
| C7 | N4 | H13 | 114.8° | 120.0° |
| N4 | S1 | O3 | 93.4° | 106.4° |
| N4 | S1 | O2 | 116.9° | 106.4° |
| S1 | N4 | H13 | 114.8° | 120.0° |
| O3 | S1 | O2 | 123.6° | 123.1° |
| C7 | C11 | C12 | 108.1° | 109.5° |
| C7 | C11 | H14 | 109.8° | 109.5° |
| C7 | C11 | H15 | 109.8° | 109.5° |
| N16 | C17 | C13 | 110.2° | 109.9° |
| C17 | N16 | C15 | 109.3° | 109.9° |
| C17 | N16 | H18 | 125.3° | 125.1° |
| N16 | C17 | H19 | 124.9° | 125.0° |
| C17 | C13 | C12 | 128.8° | 126.4° |
| C17 | C13 | C14 | 106.0° | 107.0° |
| C13 | C17 | H19 | 124.9° | 125.1° |
| N16 | C15 | C14 | 107.2° | 107.2° |
| N16 | C15 | C28 | 130.7° | 133.5° |
| C15 | N16 | H18 | 125.4° | 125.1° |
| C11 | C12 | C13 | 117.4° | 109.5° |
| C12 | C11 | H14 | 109.8° | 109.5° |
| C12 | C11 | H15 | 109.8° | 109.5° |
| C11 | C12 | H16 | 107.4° | 109.5° |
| C11 | C12 | H17 | 107.4° | 109.5° |
| C12 | C13 | C14 | 124.7° | 126.5° |
| C13 | C12 | H16 | 107.5° | 109.4° |
| C13 | C12 | H17 | 107.5° | 109.5° |
| C13 | C14 | C15 | 107.2° | 106.0° |
| C13 | C14 | C25 | 134.0° | 134.0° |
| C14 | C15 | C28 | 122.1° | 119.3° |
| C15 | C14 | C25 | 118.8° | 119.9° |
| C15 | C28 | C27 | 117.3° | 119.8° |
| C15 | C28 | H23 | 121.3° | 120.1° |
| C14 | C25 | C26 | 118.9° | 119.8° |
| C14 | C25 | H20 | 120.6° | 120.1° |
| C28 | C27 | C26 | 121.6° | 120.6° |
| C28 | C27 | H22 | 119.2° | 119.7° |
| C27 | C28 | H23 | 121.4° | 120.1° |
| C25 | C26 | C27 | 121.3° | 120.6° |
| C26 | C25 | H20 | 120.5° | 120.1° |
| C25 | C26 | H21 | 119.3° | 119.7° |
| C27 | C26 | H21 | 119.3° | 119.8° |
| C26 | C27 | H22 | 119.2° | 119.7° |
| H1 | C5' | H2 | 109.5° | 109.5° |
| H11 | N2 | H12 | 109.4° | 120.0° |
| H14 | C11 | H15 | 109.5° | 109.4° |
| H16 | C12 | H17 | 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° | 180.0° |
| C9 | C10 | N1 | H10 | 180.0° | 180.0° |
| C10 | C9 | N6 | C6 | 1.3° | 0.0° |
| C9 | C10 | N1 | C6 | 0.6° | 0.0° |
| C9 | C10 | N1 | C2 | 180.0° | 179.9° |
| N6 | C9 | C10 | N1 | 1.2° | 0.1° |
| C9 | N6 | C6 | N1 | 0.9° | 0.0° |
| C9 | N6 | C6 | C5 | 178.4° | 179.9° |
| N6 | C9 | C10 | H10 | 178.8° | 179.9° |
| C10 | N1 | C6 | N6 | 0.2° | 0.0° |
| C10 | N1 | C6 | C2 | 179.5° | 179.9° |
| C10 | N1 | C6 | C5 | 179.2° | 180.0° |
| C10 | N1 | C2 | N2 | 1.0° | 0.2° |
| C10 | N1 | C2 | N3 | 178.9° | 180.0° |
| N1 | C10 | C9 | H9 | 178.8° | 180.0° |
| N6 | C6 | N1 | C5 | 179.4° | 180.0° |
| N6 | C6 | N1 | C2 | 179.3° | 179.9° |
| N6 | C6 | C5 | N7 | 0.2° | 0.0° |
| N6 | C6 | C5 | C4 | 179.7° | 180.0° |
| C6 | N6 | C9 | H9 | 178.7° | 180.0° |
| C6 | N1 | C2 | N2 | 178.3° | 179.7° |
| C6 | N1 | C2 | N3 | 1.8° | 0.1° |
| N1 | C6 | C5 | N7 | 179.1° | 179.9° |
| N1 | C6 | C5 | C4 | 1.0° | 0.1° |
| C6 | N1 | C10 | H10 | 179.4° | 179.9° |
| C2 | N1 | C6 | C5 | 1.3° | 0.1° |
| N1 | C2 | N2 | N3 | 179.9° | 179.8° |
| N1 | C2 | N3 | C4 | 1.8° | 0.0° |
| C2 | N1 | C10 | H10 | 0.0° | 0.0° |
| N1 | C2 | N2 | H11 | 179.9° | 179.7° |
| N1 | C2 | N2 | H12 | 60.1° | 0.2° |
| C6 | C5 | N7 | C4 | 180.0° | 180.0° |
| C6 | C5 | N7 | C8 | 178.7° | 180.0° |
| C6 | C5 | C4 | N3 | 1.3° | 0.0° |
| C6 | C5 | C4 | N9 | 179.3° | 180.0° |
| N2 | C2 | N3 | C4 | 178.3° | 179.7° |
| C2 | N2 | H11 | H12 | 120.0° | 180.0° |
| C2 | N3 | C4 | C5 | 1.7° | 0.0° |
| C2 | N3 | C4 | N9 | 179.1° | 180.0° |
| N3 | C2 | N2 | H11 | 0.0° | 0.0° |
| N3 | C2 | N2 | H12 | 120.0° | 180.0° |
| N7 | C5 | C4 | N3 | 178.8° | 180.0° |
| N7 | C5 | C4 | N9 | 0.6° | 0.0° |
| C5 | N7 | C8 | N9 | 1.5° | 0.0° |
| C5 | N7 | C8 | H8 | 178.5° | 180.0° |
| C4 | C5 | N7 | C8 | 1.3° | 0.0° |
| C5 | C4 | N3 | N9 | 179.3° | 180.0° |
| C5 | C4 | N9 | C8 | 0.3° | 0.0° |
| C5 | C4 | N9 | C16 | 176.3° | 180.0° |
| N7 | C8 | N9 | C4 | 1.1° | 0.0° |
| N7 | C8 | N9 | H8 | 180.0° | 180.0° |
| N7 | C8 | N9 | C16 | 175.7° | 180.0° |
| N3 | C4 | N9 | C8 | 179.6° | 180.0° |
| N3 | C4 | N9 | C16 | 3.1° | 0.0° |
| C4 | N9 | C8 | C16 | 176.8° | 180.0° |
| C4 | N9 | C16 | C2' | 125.4° | 85.0° |
| C4 | N9 | C16 | O4' | 119.4° | 160.9° |
| C4 | N9 | C8 | H8 | 178.8° | 180.0° |
| C4 | N9 | C16 | H24 | 2.1° | 37.9° |
| C8 | N9 | C16 | C2' | 50.6° | 95.0° |
| C8 | N9 | C16 | O4' | 64.6° | 19.1° |
| C8 | N9 | C16 | H24 | 173.9° | 142.1° |
| N9 | C16 | C2' | O4' | 116.0° | 118.6° |
| N9 | C16 | C2' | H24 | 124.1° | 122.9° |
| N9 | C16 | O4' | H24 | 121.2° | 123.0° |
| N9 | C16 | C2' | O2' | 83.9° | 86.3° |
| N9 | C16 | C2' | C3' | 154.0° | 155.5° |
| N9 | C16 | O4' | C4' | 156.9° | 158.4° |
| N9 | C16 | C2' | H6 | 39.4° | 37.4° |
| C16 | N9 | C8 | H8 | 4.4° | 0.0° |
| C2' | C16 | O4' | H24 | 118.8° | 118.5° |
| C16 | C2' | O2' | C3' | 115.3° | 112.7° |
| C16 | C2' | O2' | H6 | 122.4° | 123.7° |
| C16 | C2' | C3' | H6 | 114.5° | 118.2° |
| C2' | C16 | O4' | C4' | 36.9° | 39.9° |
| C16 | C2' | C3' | C4' | 24.1° | 20.9° |
| C16 | C2' | C3' | O3' | 95.3° | 97.8° |
| C16 | C2' | C3' | H4 | 139.4° | 139.6° |
| C16 | C2' | O2' | H7 | 180.0° | 174.2° |
| O4' | C16 | C2' | O2' | 160.2° | 155.1° |
| O4' | C16 | C2' | C3' | 38.1° | 36.9° |
| C16 | O4' | C4' | C3' | 20.8° | 26.3° |
| C16 | O4' | C4' | C5' | 146.9° | 145.9° |
| C16 | O4' | C4' | H3 | 96.1° | 93.1° |
| O4' | C16 | C2' | H6 | 76.5° | 81.2° |
| O2' | C2' | C3' | H6 | 123.1° | 123.6° |
| O2' | C2' | C3' | C4' | 146.5° | 139.1° |
| O2' | C2' | C3' | O3' | 27.1° | 20.4° |
| O2' | C2' | C3' | H4 | 98.2° | 102.2° |
| O2' | C2' | C16 | H24 | 40.2° | 36.6° |
| C2' | C3' | C4' | O4' | 3.6° | 1.9° |
| C2' | C3' | C4' | O3' | 124.4° | 118.7° |
| C2' | C3' | C4' | H4 | 115.5° | 118.8° |
| C2' | C3' | O3' | H4 | 124.6° | 122.7° |
| C2' | C3' | C4' | C5' | 117.5° | 121.4° |
| C2' | C3' | C4' | H3 | 121.4° | 117.6° |
| C2' | C3' | O3' | H5 | 180.0° | 65.2° |
| C3' | C2' | O2' | H7 | 64.7° | 61.5° |
| C3' | C2' | C16 | H24 | 81.9° | 81.6° |
| O4' | C4' | C3' | C5' | 121.1° | 119.6° |
| O4' | C4' | C3' | H3 | 117.8° | 119.4° |
| O4' | C4' | C3' | O3' | 120.8° | 120.6° |
| O4' | C4' | C5' | H3 | 117.5° | 121.0° |
| O4' | C4' | C5' | O5' | 156.6° | 66.7° |
| O4' | C4' | C5' | H1 | 83.7° | 53.3° |
| O4' | C4' | C5' | H2 | 36.9° | 173.3° |
| O4' | C4' | C3' | H4 | 119.1° | 116.9° |
| C4' | O4' | C16 | H24 | 81.9° | 78.6° |
| C4' | C3' | O3' | H4 | 119.2° | 122.5° |
| C3' | C4' | C5' | H3 | 120.9° | 121.0° |
| C3' | C4' | C5' | O5' | 81.7° | 175.3° |
| C3' | C4' | C5' | H1 | 37.9° | 64.7° |
| C3' | C4' | C5' | H2 | 158.6° | 55.3° |
| C4' | C3' | O3' | H5 | 63.8° | 180.0° |
| C4' | C3' | C2' | H6 | 90.4° | 97.3° |
| O3' | C3' | C4' | C5' | 118.1° | 119.8° |
| O3' | C3' | C4' | H3 | 3.0° | 1.2° |
| O3' | C3' | C2' | H6 | 150.2° | 144.0° |
| C4' | C5' | O5' | H1 | 119.7° | 120.0° |
| C4' | C5' | O5' | H2 | 119.7° | 120.0° |
| C4' | C5' | O5' | S1 | 158.0° | 180.0° |
| C4' | C5' | H1 | H2 | 121.0° | 120.0° |
| C5' | C4' | C3' | H4 | 2.0° | 2.7° |
| C5' | O5' | S1 | N4 | 58.1° | 75.0° |
| C5' | O5' | S1 | O3 | 36.9° | 171.5° |
| C5' | O5' | S1 | O2 | 179.3° | 38.6° |
| O5' | C5' | H1 | H2 | 121.0° | 120.0° |
| O5' | C5' | C4' | H3 | 39.1° | 54.3° |
| O24 | C7 | N4 | C11 | 178.7° | 180.0° |
| O24 | C7 | N4 | S1 | 162.8° | 0.1° |
| O24 | C7 | C11 | C12 | 13.4° | 0.0° |
| O24 | C7 | N4 | H13 | 17.2° | 180.0° |
| O24 | C7 | C11 | H14 | 106.4° | 120.0° |
| O24 | C7 | C11 | H15 | 133.1° | 120.0° |
| O5' | S1 | N4 | C7 | 94.7° | 64.9° |
| O5' | S1 | N4 | O3 | 111.9° | 113.5° |
| O5' | S1 | N4 | O2 | 117.5° | 113.6° |
| O5' | S1 | O3 | O2 | 139.0° | 122.9° |
| S1 | O5' | C5' | H1 | 38.4° | 60.0° |
| S1 | O5' | C5' | H2 | 82.3° | 60.0° |
| O5' | S1 | N4 | H13 | 85.3° | 115.0° |
| C7 | N4 | S1 | H13 | 180.0° | 179.9° |
| C7 | N4 | S1 | O3 | 153.5° | 48.6° |
| C7 | N4 | S1 | O2 | 22.9° | 178.5° |
| N4 | C7 | C11 | C12 | 165.4° | 180.0° |
| N4 | C7 | C11 | H14 | 74.9° | 59.9° |
| N4 | C7 | C11 | H15 | 45.6° | 60.0° |
| N4 | S1 | O3 | O2 | 125.7° | 123.0° |
| S1 | N4 | C7 | C11 | 15.9° | 180.0° |
| O3 | S1 | N4 | H13 | 26.5° | 131.5° |
| C7 | C11 | C12 | H14 | 119.8° | 120.1° |
| C7 | C11 | C12 | H15 | 119.8° | 120.0° |
| C7 | C11 | C12 | C13 | 73.3° | 180.0° |
| C11 | C7 | N4 | H13 | 164.0° | 0.1° |
| C7 | C11 | H14 | H15 | 120.6° | 120.0° |
| C7 | C11 | C12 | H16 | 165.6° | 60.0° |
| C7 | C11 | C12 | H17 | 47.9° | 60.0° |
| O2 | S1 | N4 | H13 | 157.1° | 1.4° |
| N16 | C17 | C13 | H19 | 180.0° | 179.7° |
| C17 | N16 | C15 | H18 | 180.0° | 179.8° |
| N16 | C17 | C13 | C12 | 174.5° | 179.9° |
| N16 | C17 | C13 | C14 | 2.2° | 0.3° |
| C17 | N16 | C15 | C14 | 0.1° | 0.2° |
| C17 | N16 | C15 | C28 | 179.8° | 179.8° |
| C13 | C17 | N16 | C15 | 1.4° | 0.3° |
| C17 | C13 | C12 | C11 | 96.7° | 95.3° |
| C17 | C13 | C12 | C14 | 171.0° | 179.7° |
| C17 | C13 | C14 | C15 | 2.2° | 0.2° |
| C17 | C13 | C14 | C25 | 178.2° | 179.9° |
| C17 | C13 | C12 | H16 | 142.1° | 144.7° |
| C17 | C13 | C12 | H17 | 24.4° | 24.7° |
| C13 | C17 | N16 | H18 | 178.7° | 179.8° |
| N16 | C15 | C14 | C13 | 1.4° | 0.0° |
| N16 | C15 | C14 | C28 | 179.7° | 180.0° |
| N16 | C15 | C14 | C25 | 178.9° | 180.0° |
| N16 | C15 | C28 | C27 | 178.7° | 180.0° |
| C15 | N16 | C17 | H19 | 178.7° | 180.0° |
| N16 | C15 | C28 | H23 | 1.3° | 0.0° |
| C11 | C12 | C13 | H16 | 121.1° | 120.0° |
| C11 | C12 | C13 | H17 | 121.1° | 120.0° |
| C11 | C12 | C13 | C14 | 92.3° | 85.0° |
| C12 | C11 | H14 | H15 | 120.6° | 119.9° |
| C11 | C12 | H16 | H17 | 116.4° | 120.0° |
| C12 | C13 | C14 | C15 | 174.9° | 180.0° |
| C12 | C13 | C14 | C25 | 5.5° | 0.1° |
| C13 | C12 | C11 | H14 | 46.5° | 60.0° |
| C13 | C12 | C11 | H15 | 167.0° | 59.9° |
| C13 | C12 | H16 | H17 | 116.4° | 120.0° |
| C12 | C13 | C17 | H19 | 5.6° | 0.2° |
| C13 | C14 | C15 | C25 | 179.7° | 179.9° |
| C13 | C14 | C15 | C28 | 178.9° | 180.0° |
| C13 | C14 | C25 | C26 | 179.6° | 180.0° |
| C14 | C13 | C12 | H16 | 28.8° | 35.0° |
| C14 | C13 | C12 | H17 | 146.6° | 155.0° |
| C14 | C13 | C17 | H19 | 177.8° | 180.0° |
| C13 | C14 | C25 | H20 | 0.4° | 0.1° |
| C14 | C15 | C28 | C27 | 0.9° | 0.0° |
| C15 | C14 | C25 | C26 | 0.0° | 0.1° |
| C14 | C15 | N16 | H18 | 179.9° | 180.0° |
| C15 | C14 | C25 | H20 | 180.0° | 180.0° |
| C14 | C15 | C28 | H23 | 179.1° | 180.0° |
| C28 | C15 | C14 | C25 | 0.8° | 0.1° |
| C15 | C28 | C27 | H23 | 180.0° | 180.0° |
| C15 | C28 | C27 | C26 | 0.2° | 0.0° |
| C28 | C15 | N16 | H18 | 0.2° | 0.0° |
| C15 | C28 | C27 | H22 | 179.8° | 180.0° |
| C14 | C25 | C26 | H20 | 180.0° | 179.9° |
| C14 | C25 | C26 | C27 | 0.6° | 0.1° |
| C14 | C25 | C26 | H21 | 179.4° | 180.0° |
| C28 | C27 | C26 | C25 | 0.5° | 0.1° |
| C28 | C27 | C26 | H22 | 180.0° | 180.0° |
| C28 | C27 | C26 | H21 | 179.4° | 179.9° |
| C25 | C26 | C27 | H21 | 180.0° | 179.9° |
| C25 | C26 | C27 | H22 | 179.5° | 179.9° |
| C27 | C26 | C25 | H20 | 179.4° | 180.0° |
| C26 | C27 | C28 | H23 | 179.8° | 180.0° |
| H1 | C5' | C4' | H3 | 158.8° | 174.3° |
| H2 | C5' | C4' | H3 | 80.5° | 65.7° |
| H3 | C4' | C3' | H4 | 123.1° | 123.7° |
| H4 | C3' | O3' | H5 | 55.4° | 57.5° |
| H4 | C3' | C2' | H6 | 25.0° | 21.4° |
| H6 | C2' | O2' | H7 | 57.6° | 62.1° |
| H6 | C2' | C16 | H24 | 163.5° | 160.2° |
| H9 | C9 | C10 | H10 | 1.1° | 0.0° |
| H14 | C11 | C12 | H16 | 74.6° | 180.0° |
| H14 | C11 | C12 | H17 | 167.7° | 60.1° |
| H15 | C11 | C12 | H16 | 45.8° | 60.1° |
| H15 | C11 | C12 | H17 | 71.9° | 180.0° |
| H18 | N16 | C17 | H19 | 1.3° | 0.1° |
| H20 | C25 | C26 | H21 | 0.6° | 0.1° |
| H21 | C26 | C27 | H22 | 0.6° | 0.0° |
| H22 | C27 | C28 | H23 | 0.2° | 0.0° |
