JZW
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.32Å | 1.33Å | Aromatic |
| C1 | C3 | sing | 1.41Å | 1.33Å | Aromatic |
| N1 | C3 | doub | 1.35Å | 1.33Å | Aromatic |
| N1 | C5 | sing | 1.32Å | 1.44Å | Aromatic |
| O1 | C9 | sing | 1.43Å | 1.42Å | |
| O1 | C10 | sing | 1.43Å | 1.42Å | |
| S1 | C2 | sing | 1.76Å | 1.67Å | Aromatic |
| S1 | C4 | sing | 1.76Å | 1.67Å | Aromatic |
| C2 | C12 | sing | 1.51Å | 1.51Å | |
| N2 | C5 | doub | 1.33Å | 1.44Å | Aromatic |
| N2 | C6 | sing | 1.33Å | 1.33Å | Aromatic |
| O2 | S2 | doub | 1.42Å | 1.44Å | |
| S2 | O3 | doub | 1.42Å | 1.44Å | |
| S2 | N5 | sing | 1.66Å | 1.53Å | |
| S2 | C17 | sing | 1.81Å | 1.67Å | |
| C3 | C4 | sing | 1.40Å | 1.34Å | Aromatic |
| N3 | C6 | sing | 1.39Å | 1.34Å | |
| N3 | C8 | sing | 1.47Å | 1.46Å | |
| N3 | C11 | sing | 1.47Å | 1.47Å | |
| C4 | C6 | doub | 1.41Å | 1.36Å | Aromatic |
| N4 | C12 | sing | 1.47Å | 1.45Å | |
| N4 | C13 | sing | 1.47Å | 1.46Å | |
| N4 | C16 | sing | 1.47Å | 1.44Å | |
| O4 | C23 | sing | 1.43Å | 1.41Å | |
| C5 | C7 | sing | 1.48Å | 1.47Å | Aromatic |
| N5 | C14 | sing | 1.47Å | 1.46Å | |
| N5 | C15 | sing | 1.47Å | 1.45Å | |
| C7 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.53Å | |
| C15 | C16 | sing | 1.53Å | 1.51Å | |
| C18 | C19 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C21 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C23 | sing | 1.51Å | 1.51Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| O4 | HO4 | sing | 0.97Å | 0.95Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C14 | H14A | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| C17 | H17B | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 110.9° | 115.8° |
| C1 | C2 | S1 | 113.5° | 110.8° |
| C1 | C2 | C12 | 122.4° | 124.6° |
| C2 | C1 | H1 | 124.6° | 122.1° |
| C1 | C3 | N1 | 122.2° | 129.6° |
| C1 | C3 | C4 | 114.8° | 112.5° |
| C3 | C1 | H1 | 124.5° | 122.1° |
| C3 | N1 | C5 | 117.5° | 121.0° |
| N1 | C3 | C4 | 123.0° | 118.0° |
| N1 | C5 | N2 | 116.8° | 122.4° |
| N1 | C5 | C7 | 122.8° | 118.8° |
| C9 | O1 | C10 | 111.1° | 113.7° |
| O1 | C9 | C8 | 107.4° | 109.3° |
| O1 | C9 | H9 | 110.2° | 109.5° |
| O1 | C9 | H9A | 110.2° | 109.5° |
| O1 | C10 | C11 | 109.9° | 109.3° |
| O1 | C10 | H10 | 109.3° | 109.5° |
| O1 | C10 | H10A | 109.3° | 109.5° |
| C2 | S1 | C4 | 90.1° | 91.5° |
| S1 | C2 | C12 | 124.0° | 124.6° |
| S1 | C4 | C3 | 110.8° | 109.5° |
| S1 | C4 | C6 | 126.5° | 131.6° |
| C2 | C12 | N4 | 119.9° | 109.4° |
| C2 | C12 | H12 | 106.2° | 109.5° |
| C2 | C12 | H12A | 106.1° | 109.5° |
| C5 | N2 | C6 | 121.9° | 120.7° |
| N2 | C5 | C7 | 120.4° | 118.8° |
| N2 | C6 | N3 | 115.6° | 120.4° |
| N2 | C6 | C4 | 118.0° | 119.0° |
| O2 | S2 | O3 | 107.9° | 121.0° |
| O2 | S2 | N5 | 107.9° | 104.3° |
| O2 | S2 | C17 | 109.3° | 110.5° |
| O3 | S2 | N5 | 108.3° | 104.3° |
| O3 | S2 | C17 | 109.1° | 110.6° |
| N5 | S2 | C17 | 114.1° | 104.5° |
| S2 | N5 | C14 | 123.1° | 120.9° |
| S2 | N5 | C15 | 114.1° | 120.9° |
| S2 | C17 | H17 | 109.5° | 109.5° |
| S2 | C17 | H17A | 109.5° | 109.5° |
| S2 | C17 | H17B | 109.5° | 109.5° |
| C3 | C4 | C6 | 122.8° | 118.9° |
| C6 | N3 | C8 | 126.8° | 111.0° |
| C6 | N3 | C11 | 118.2° | 111.0° |
| N3 | C6 | C4 | 126.4° | 120.5° |
| C8 | N3 | C11 | 113.4° | 110.8° |
| N3 | C8 | C9 | 105.9° | 109.3° |
| N3 | C8 | H8 | 110.7° | 109.5° |
| N3 | C8 | H8A | 110.7° | 109.5° |
| N3 | C11 | C10 | 107.9° | 109.2° |
| N3 | C11 | H11 | 110.0° | 109.5° |
| N3 | C11 | H11A | 110.0° | 109.5° |
| C12 | N4 | C13 | 115.0° | 111.0° |
| C12 | N4 | C16 | 120.9° | 111.0° |
| N4 | C12 | H12 | 106.1° | 109.4° |
| N4 | C12 | H12A | 106.1° | 109.5° |
| C13 | N4 | C16 | 114.5° | 111.3° |
| N4 | C13 | C14 | 108.9° | 109.3° |
| N4 | C13 | H13 | 109.6° | 109.5° |
| N4 | C13 | H13A | 109.7° | 109.6° |
| N4 | C16 | C15 | 100.6° | 109.4° |
| N4 | C16 | H16 | 112.5° | 109.5° |
| N4 | C16 | H16A | 112.6° | 109.5° |
| O4 | C23 | C21 | 110.5° | 109.5° |
| C23 | O4 | HO4 | 109.5° | 114.0° |
| O4 | C23 | H23 | 109.1° | 109.4° |
| O4 | C23 | H23A | 109.1° | 109.5° |
| C5 | C7 | C18 | 121.6° | 120.1° |
| C5 | C7 | C22 | 117.9° | 120.2° |
| C14 | N5 | C15 | 116.5° | 118.3° |
| N5 | C14 | C13 | 108.4° | 108.5° |
| N5 | C14 | H14 | 109.8° | 109.6° |
| N5 | C14 | H14A | 109.9° | 109.7° |
| N5 | C15 | C16 | 107.3° | 108.5° |
| N5 | C15 | H15 | 110.2° | 109.7° |
| N5 | C15 | H15A | 110.2° | 109.6° |
| C18 | C7 | C22 | 120.5° | 119.7° |
| C7 | C18 | C19 | 119.4° | 119.9° |
| C7 | C18 | H18 | 120.3° | 120.1° |
| C7 | C22 | C21 | 120.0° | 119.9° |
| C7 | C22 | H22 | 120.0° | 120.0° |
| C9 | C8 | H8 | 110.7° | 109.5° |
| C9 | C8 | H8A | 110.7° | 109.6° |
| C8 | C9 | H9 | 110.2° | 109.5° |
| C8 | C9 | H9A | 110.2° | 109.5° |
| C11 | C10 | H10 | 109.3° | 109.5° |
| C11 | C10 | H10A | 109.3° | 109.4° |
| C10 | C11 | H11 | 110.0° | 109.5° |
| C10 | C11 | H11A | 110.0° | 109.5° |
| C14 | C13 | H13 | 109.7° | 109.5° |
| C14 | C13 | H13A | 109.6° | 109.5° |
| C13 | C14 | H14 | 109.8° | 109.6° |
| C13 | C14 | H14A | 109.8° | 109.6° |
| C16 | C15 | H15 | 110.2° | 109.6° |
| C16 | C15 | H15A | 110.2° | 109.6° |
| C15 | C16 | H16 | 112.6° | 109.5° |
| C15 | C16 | H16A | 112.5° | 109.5° |
| C18 | C19 | C20 | 120.4° | 120.1° |
| C19 | C18 | H18 | 120.3° | 120.0° |
| C18 | C19 | H19 | 119.8° | 119.9° |
| C19 | C20 | C21 | 120.1° | 120.3° |
| C20 | C19 | H19 | 119.8° | 120.0° |
| C19 | C20 | H20 | 120.0° | 119.8° |
| C20 | C21 | C22 | 119.7° | 120.1° |
| C20 | C21 | C23 | 121.0° | 120.0° |
| C21 | C20 | H20 | 120.0° | 119.9° |
| C22 | C21 | C23 | 119.3° | 120.0° |
| C21 | C22 | H22 | 120.0° | 120.0° |
| C21 | C23 | H23 | 109.1° | 109.5° |
| C21 | C23 | H23A | 109.1° | 109.5° |
| H8 | C8 | H8A | 108.2° | 109.5° |
| H9 | C9 | H9A | 108.8° | 109.6° |
| H10 | C10 | H10A | 109.6° | 109.6° |
| H11 | C11 | H11A | 108.9° | 109.6° |
| H12 | C12 | H12A | 112.6° | 109.5° |
| H13 | C13 | H13A | 109.3° | 109.5° |
| H14 | C14 | H14A | 109.1° | 109.8° |
| H15 | C15 | H15A | 108.7° | 109.8° |
| H16 | C16 | H16A | 106.2° | 109.5° |
| H17 | C17 | H17A | 109.5° | 109.4° |
| H17 | C17 | H17B | 109.4° | 109.4° |
| H17A | C17 | H17B | 109.5° | 109.5° |
| H23 | C23 | H23A | 109.8° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H1 | 180.0° | 179.8° |
| C2 | C1 | C3 | N1 | 179.2° | 180.0° |
| C1 | C2 | S1 | C12 | 176.0° | 180.0° |
| C1 | C2 | S1 | C4 | 0.7° | 0.0° |
| C2 | C1 | C3 | C4 | 1.3° | 0.1° |
| C1 | C2 | C12 | N4 | 101.3° | 90.0° |
| C1 | C2 | C12 | H12 | 138.7° | 150.0° |
| C1 | C2 | C12 | H12A | 18.7° | 30.0° |
| C1 | C3 | N1 | C4 | 179.5° | 179.9° |
| C1 | C3 | N1 | C5 | 179.7° | 179.9° |
| C3 | C1 | C2 | S1 | 1.3° | 0.0° |
| C1 | C3 | C4 | S1 | 0.8° | 0.0° |
| C3 | C1 | C2 | C12 | 177.4° | 179.9° |
| C1 | C3 | C4 | C6 | 180.0° | 180.0° |
| N1 | C3 | C4 | S1 | 179.8° | 180.0° |
| C3 | N1 | C5 | N2 | 1.1° | 0.0° |
| N1 | C3 | C4 | C6 | 0.5° | 0.0° |
| C3 | N1 | C5 | C7 | 178.4° | 180.0° |
| N1 | C3 | C1 | H1 | 0.8° | 0.2° |
| N1 | C5 | N2 | C7 | 177.4° | 180.0° |
| N1 | C5 | N2 | C6 | 1.1° | 0.0° |
| C5 | N1 | C3 | C4 | 0.9° | 0.0° |
| N1 | C5 | C7 | C18 | 21.6° | 180.0° |
| N1 | C5 | C7 | C22 | 155.6° | 0.3° |
| O1 | C9 | C8 | N3 | 62.4° | 56.9° |
| O1 | C9 | C8 | H9 | 120.0° | 119.9° |
| O1 | C9 | C8 | H9A | 120.0° | 120.0° |
| C9 | O1 | C10 | C11 | 62.8° | 58.7° |
| O1 | C9 | C8 | H8 | 177.6° | 176.8° |
| O1 | C9 | C8 | H8A | 57.6° | 63.1° |
| O1 | C9 | H9 | H9A | 120.8° | 120.2° |
| C9 | O1 | C10 | H10 | 57.2° | 61.3° |
| C9 | O1 | C10 | H10A | 177.2° | 178.6° |
| O1 | C10 | C11 | N3 | 54.4° | 56.9° |
| C10 | O1 | C9 | C8 | 66.8° | 58.7° |
| O1 | C10 | C11 | H10 | 120.0° | 120.0° |
| O1 | C10 | C11 | H10A | 120.0° | 119.9° |
| C10 | O1 | C9 | H9 | 173.2° | 178.6° |
| C10 | O1 | C9 | H9A | 53.2° | 61.3° |
| O1 | C10 | H10 | H10A | 119.8° | 120.2° |
| O1 | C10 | C11 | H11 | 65.6° | 63.1° |
| O1 | C10 | C11 | H11A | 174.4° | 176.7° |
| C2 | S1 | C4 | C3 | 0.0° | 0.0° |
| C2 | S1 | C4 | C6 | 179.2° | 180.0° |
| S1 | C2 | C12 | N4 | 83.0° | 90.0° |
| S1 | C2 | C1 | H1 | 178.7° | 179.8° |
| S1 | C2 | C12 | H12 | 36.9° | 29.9° |
| S1 | C2 | C12 | H12A | 157.0° | 150.0° |
| C4 | S1 | C2 | C12 | 176.7° | 180.0° |
| S1 | C4 | C6 | N2 | 179.5° | 180.0° |
| S1 | C4 | C3 | C6 | 179.2° | 180.0° |
| S1 | C4 | C6 | N3 | 1.9° | 0.0° |
| C2 | C12 | N4 | H12 | 120.0° | 120.0° |
| C2 | C12 | N4 | H12A | 120.0° | 120.0° |
| C2 | C12 | N4 | C13 | 169.2° | 169.9° |
| C2 | C12 | N4 | C16 | 46.5° | 65.7° |
| C12 | C2 | C1 | H1 | 2.6° | 0.2° |
| C2 | C12 | H12 | H12A | 115.7° | 120.0° |
| C5 | N2 | C6 | N3 | 179.5° | 180.0° |
| C5 | N2 | C6 | C4 | 0.7° | 0.0° |
| N2 | C5 | C7 | C18 | 161.2° | 0.0° |
| N2 | C5 | C7 | C22 | 21.6° | 179.7° |
| N2 | C6 | C4 | C3 | 0.5° | 0.0° |
| N2 | C6 | N3 | C4 | 178.6° | 180.0° |
| N2 | C6 | N3 | C8 | 143.1° | 0.0° |
| N2 | C6 | N3 | C11 | 21.7° | 123.6° |
| C6 | N2 | C5 | C7 | 178.4° | 180.0° |
| O2 | S2 | O3 | N5 | 116.5° | 116.7° |
| O2 | S2 | O3 | C17 | 118.7° | 131.5° |
| O2 | S2 | N5 | C17 | 121.7° | 116.0° |
| O2 | S2 | N5 | C14 | 107.8° | 154.0° |
| O2 | S2 | N5 | C15 | 43.1° | 26.1° |
| O2 | S2 | C17 | H17 | 180.0° | 68.4° |
| O2 | S2 | C17 | H17A | 60.0° | 171.7° |
| O2 | S2 | C17 | H17B | 60.0° | 51.6° |
| O3 | S2 | N5 | C17 | 121.8° | 116.1° |
| O3 | S2 | N5 | C14 | 135.6° | 26.1° |
| O3 | S2 | N5 | C15 | 73.5° | 153.9° |
| O3 | S2 | C17 | H17 | 62.2° | 68.4° |
| O3 | S2 | C17 | H17A | 177.8° | 51.6° |
| O3 | S2 | C17 | H17B | 57.8° | 171.6° |
| S2 | N5 | C14 | C15 | 150.3° | 179.9° |
| S2 | N5 | C14 | C13 | 160.0° | 128.9° |
| S2 | N5 | C15 | C16 | 144.9° | 128.8° |
| S2 | N5 | C14 | H14 | 80.0° | 111.4° |
| S2 | N5 | C14 | H14A | 40.0° | 9.2° |
| S2 | N5 | C15 | H15 | 24.9° | 9.1° |
| S2 | N5 | C15 | H15A | 95.1° | 111.5° |
| N5 | S2 | C17 | H17 | 59.1° | 180.0° |
| N5 | S2 | C17 | H17A | 60.9° | 60.1° |
| N5 | S2 | C17 | H17B | 179.1° | 60.0° |
| C17 | S2 | N5 | C14 | 13.9° | 90.0° |
| C17 | S2 | N5 | C15 | 164.8° | 90.0° |
| S2 | C17 | H17 | H17A | 120.0° | 120.0° |
| S2 | C17 | H17 | H17B | 120.0° | 120.1° |
| S2 | C17 | H17A | H17B | 120.0° | 120.1° |
| C3 | C4 | C6 | N3 | 179.0° | 180.0° |
| C4 | C3 | C1 | H1 | 178.7° | 179.8° |
| C6 | N3 | C8 | C11 | 165.5° | 123.8° |
| C6 | N3 | C8 | C9 | 134.9° | 177.6° |
| C6 | N3 | C11 | C10 | 137.5° | 177.6° |
| C6 | N3 | C8 | H8 | 14.9° | 57.7° |
| C6 | N3 | C8 | H8A | 105.1° | 62.4° |
| C6 | N3 | C11 | H11 | 102.5° | 62.5° |
| C6 | N3 | C11 | H11A | 17.5° | 57.7° |
| C8 | N3 | C6 | C4 | 38.3° | 180.0° |
| N3 | C8 | C9 | H8 | 120.0° | 119.9° |
| N3 | C8 | C9 | H8A | 120.0° | 119.9° |
| C8 | N3 | C11 | C10 | 55.6° | 58.6° |
| N3 | C8 | H8 | H8A | 121.4° | 120.1° |
| N3 | C8 | C9 | H9 | 177.6° | 176.8° |
| N3 | C8 | C9 | H9A | 57.6° | 63.1° |
| C8 | N3 | C11 | H11 | 64.4° | 61.3° |
| C8 | N3 | C11 | H11A | 175.7° | 178.5° |
| C11 | N3 | C6 | C4 | 156.9° | 56.3° |
| C11 | N3 | C8 | C9 | 59.6° | 58.6° |
| N3 | C11 | C10 | H11 | 120.0° | 119.9° |
| N3 | C11 | C10 | H11A | 120.0° | 119.9° |
| C11 | N3 | C8 | H8 | 179.6° | 178.5° |
| C11 | N3 | C8 | H8A | 60.4° | 61.4° |
| N3 | C11 | C10 | H10 | 65.6° | 63.1° |
| N3 | C11 | C10 | H10A | 174.4° | 176.8° |
| N3 | C11 | H11 | H11A | 120.6° | 120.1° |
| C12 | N4 | C13 | C16 | 146.7° | 124.2° |
| C12 | N4 | C13 | C14 | 151.2° | 172.7° |
| C12 | N4 | C16 | C15 | 144.8° | 172.8° |
| N4 | C12 | H12 | H12A | 115.7° | 120.0° |
| C12 | N4 | C13 | H13 | 88.8° | 67.3° |
| C12 | N4 | C13 | H13A | 31.3° | 52.7° |
| C12 | N4 | C16 | H16 | 24.8° | 52.8° |
| C12 | N4 | C16 | H16A | 95.2° | 67.3° |
| N4 | C13 | C14 | N5 | 45.2° | 53.8° |
| N4 | C13 | C14 | H13 | 120.0° | 119.9° |
| N4 | C13 | C14 | H13A | 120.0° | 120.1° |
| C13 | N4 | C16 | C15 | 70.7° | 63.1° |
| C13 | N4 | C12 | H12 | 70.8° | 70.1° |
| C13 | N4 | C12 | H12A | 49.2° | 50.0° |
| N4 | C13 | H13 | H13A | 120.3° | 120.1° |
| N4 | C13 | C14 | H14 | 74.8° | 65.9° |
| N4 | C13 | C14 | H14A | 165.2° | 173.5° |
| C13 | N4 | C16 | H16 | 169.3° | 177.0° |
| C13 | N4 | C16 | H16A | 49.3° | 56.9° |
| N4 | C16 | C15 | N5 | 65.7° | 53.8° |
| C16 | N4 | C13 | C14 | 62.1° | 63.1° |
| N4 | C16 | C15 | H16 | 120.0° | 120.0° |
| N4 | C16 | C15 | H16A | 120.0° | 120.0° |
| C16 | N4 | C12 | H12 | 73.5° | 54.3° |
| C16 | N4 | C12 | H12A | 166.5° | 174.3° |
| C16 | N4 | C13 | H13 | 57.9° | 56.8° |
| C16 | N4 | C13 | H13A | 177.9° | 176.9° |
| N4 | C16 | C15 | H15 | 174.3° | 173.5° |
| N4 | C16 | C15 | H15A | 54.3° | 65.9° |
| N4 | C16 | H16 | H16A | 123.6° | 120.1° |
| O4 | C23 | C21 | C20 | 102.6° | 90.0° |
| O4 | C23 | C21 | C22 | 78.2° | 89.8° |
| O4 | C23 | C21 | H23 | 120.0° | 119.9° |
| O4 | C23 | C21 | H23A | 120.0° | 120.0° |
| O4 | C23 | H23 | H23A | 119.6° | 120.0° |
| C5 | C7 | C18 | C22 | 177.1° | 179.7° |
| C5 | C7 | C18 | C19 | 178.8° | 180.0° |
| C5 | C7 | C22 | C21 | 178.5° | 179.7° |
| C5 | C7 | C18 | H18 | 1.2° | 0.1° |
| C5 | C7 | C22 | H22 | 1.5° | 0.0° |
| N5 | C14 | C13 | H14 | 120.0° | 119.7° |
| N5 | C14 | C13 | H14A | 120.0° | 119.7° |
| C14 | N5 | C15 | C16 | 62.2° | 51.2° |
| N5 | C14 | C13 | H13 | 74.8° | 66.1° |
| N5 | C14 | C13 | H13A | 165.2° | 173.8° |
| N5 | C14 | H14 | H14A | 120.4° | 120.5° |
| C14 | N5 | C15 | H15 | 177.8° | 170.9° |
| C14 | N5 | C15 | H15A | 57.8° | 68.5° |
| C15 | N5 | C14 | C13 | 49.8° | 51.2° |
| N5 | C15 | C16 | H15 | 120.0° | 119.7° |
| N5 | C15 | C16 | H15A | 120.0° | 119.7° |
| C15 | N5 | C14 | H14 | 70.2° | 68.5° |
| C15 | N5 | C14 | H14A | 169.8° | 170.9° |
| N5 | C15 | H15 | H15A | 120.9° | 120.5° |
| N5 | C15 | C16 | H16 | 174.3° | 173.8° |
| N5 | C15 | C16 | H16A | 54.3° | 66.2° |
| C7 | C18 | C19 | H18 | 180.0° | 179.9° |
| C7 | C18 | C19 | C20 | 1.2° | 0.0° |
| C18 | C7 | C22 | C21 | 1.3° | 0.6° |
| C7 | C18 | C19 | H19 | 178.8° | 180.0° |
| C18 | C7 | C22 | H22 | 178.7° | 179.7° |
| C22 | C7 | C18 | C19 | 1.7° | 0.3° |
| C7 | C22 | C21 | C20 | 0.4° | 0.6° |
| C7 | C22 | C21 | H22 | 180.0° | 179.8° |
| C7 | C22 | C21 | C23 | 178.9° | 179.7° |
| C22 | C7 | C18 | H18 | 178.3° | 179.8° |
| C9 | C8 | H8 | H8A | 121.4° | 120.2° |
| C8 | C9 | H9 | H9A | 120.9° | 120.1° |
| C11 | C10 | H10 | H10A | 119.8° | 120.0° |
| C10 | C11 | H11 | H11A | 120.6° | 120.1° |
| C14 | C13 | H13 | H13A | 120.2° | 120.0° |
| C13 | C14 | H14 | H14A | 120.4° | 120.5° |
| C16 | C15 | H15 | H15A | 120.9° | 120.5° |
| C15 | C16 | H16 | H16A | 123.6° | 120.0° |
| C18 | C19 | C20 | H19 | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.2° | 0.0° |
| C18 | C19 | C20 | H20 | 179.8° | 180.0° |
| C19 | C20 | C21 | H20 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C19 | C20 | C21 | C23 | 179.4° | 180.0° |
| C20 | C19 | C18 | H18 | 178.9° | 179.9° |
| C20 | C21 | C22 | C23 | 179.2° | 179.8° |
| C21 | C20 | C19 | H19 | 179.8° | 180.0° |
| C20 | C21 | C22 | H22 | 179.7° | 179.7° |
| C20 | C21 | C23 | H23 | 17.4° | 29.9° |
| C20 | C21 | C23 | H23A | 137.4° | 150.0° |
| C22 | C21 | C20 | H20 | 179.8° | 179.7° |
| C22 | C21 | C23 | H23 | 161.8° | 150.3° |
| C22 | C21 | C23 | H23A | 41.8° | 30.3° |
| C21 | C23 | O4 | HO4 | 180.0° | 180.0° |
| C23 | C21 | C20 | H20 | 0.6° | 0.0° |
| C23 | C21 | C22 | H22 | 1.1° | 0.1° |
| C21 | C23 | H23 | H23A | 119.6° | 120.0° |
| HO4 | O4 | C23 | H23 | 60.0° | 60.1° |
| HO4 | O4 | C23 | H23A | 60.0° | 59.9° |
| H8 | C8 | C9 | H9 | 57.6° | 63.3° |
| H8 | C8 | C9 | H9A | 62.4° | 56.8° |
| H8A | C8 | C9 | H9 | 62.4° | 56.8° |
| H8A | C8 | C9 | H9A | 177.6° | 177.0° |
| H10 | C10 | C11 | H11 | 174.4° | 177.0° |
| H10 | C10 | C11 | H11A | 54.4° | 56.8° |
| H10A | C10 | C11 | H11 | 54.4° | 56.8° |
| H10A | C10 | C11 | H11A | 65.6° | 63.3° |
| H13 | C13 | C14 | H14 | 165.2° | 174.2° |
| H13 | C13 | C14 | H14A | 45.2° | 53.6° |
| H13A | C13 | C14 | H14 | 45.2° | 54.2° |
| H13A | C13 | C14 | H14A | 74.8° | 66.4° |
| H15 | C15 | C16 | H16 | 54.3° | 66.5° |
| H15 | C15 | C16 | H16A | 65.7° | 53.6° |
| H15A | C15 | C16 | H16 | 65.7° | 54.1° |
| H15A | C15 | C16 | H16A | 174.3° | 174.1° |
| H17 | C17 | H17A | H17B | 120.0° | 120.0° |
| H18 | C18 | C19 | H19 | 1.1° | 0.1° |
| H19 | C19 | C20 | H20 | 0.2° | 0.0° |
