VDA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O2 | C3 | sing | 1.43Å | 1.43Å | |
| C1 | C2 | sing | 1.53Å | 1.62Å | |
| C1 | C10 | sing | 1.53Å | 1.58Å | |
| C1 | O1 | sing | 1.43Å | 1.42Å | |
| C2 | C3 | sing | 1.53Å | 1.68Å | |
| C2 | O4 | sing | 1.43Å | 1.42Å | |
| C3 | C4 | sing | 1.53Å | 1.64Å | |
| C4 | C5 | sing | 1.51Å | 1.56Å | |
| C5 | C6 | doub | 1.33Å | 1.35Å | |
| C5 | C10 | sing | 1.51Å | 1.60Å | |
| C6 | C7 | sing | 1.47Å | 1.49Å | |
| C7 | C8 | doub | 1.33Å | 1.25Å | |
| C8 | C9 | sing | 1.52Å | 1.69Å | |
| C8 | C14 | sing | 1.50Å | 1.56Å | |
| C9 | C11 | sing | 1.53Å | 1.60Å | |
| C11 | C12 | sing | 1.54Å | 1.68Å | |
| C12 | C13 | sing | 1.50Å | 1.69Å | |
| C13 | C14 | sing | 1.55Å | 1.61Å | |
| C13 | C17 | sing | 1.48Å | 1.57Å | |
| C13 | C18 | sing | 1.53Å | 1.69Å | |
| C14 | C15 | sing | 1.53Å | 1.69Å | |
| C15 | C16 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | doub | 1.32Å | 1.57Å | |
| C17 | C20 | sing | 1.51Å | 1.68Å | |
| C20 | C21 | sing | 1.53Å | 1.61Å | |
| C20 | S22 | sing | 1.81Å | 1.68Å | |
| S22 | C23 | sing | 1.81Å | 1.52Å | |
| C23 | C25 | sing | 1.53Å | 1.55Å | |
| C25 | O3 | sing | 1.43Å | 1.55Å | |
| C25 | C26 | sing | 1.53Å | 1.35Å | |
| C25 | C27 | sing | 1.53Å | 1.62Å | |
| C26 | C29 | sing | 1.53Å | 1.69Å | |
| C27 | C28 | sing | 1.53Å | 1.63Å | |
| O4 | C30 | sing | 1.43Å | 1.35Å | |
| C30 | C31 | sing | 1.53Å | 1.69Å | |
| C31 | O5 | sing | 1.43Å | 1.43Å | |
| O2 | HO2 | sing | 0.97Å | 0.95Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| 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 | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| C18 | H18B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| O1 | HO1 | sing | 0.97Å | 0.95Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H31A | sing | 1.09Å | 1.10Å | |
| O5 | HO5 | sing | 0.97Å | 0.95Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C29 | H29A | sing | 1.09Å | 1.10Å | |
| C29 | H29B | sing | 1.09Å | 1.10Å | |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C28 | H28A | sing | 1.09Å | 1.10Å | |
| C28 | H28B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O2 | C3 | C2 | 108.0° | 109.5° |
| O2 | C3 | C4 | 108.0° | 109.5° |
| C3 | O2 | HO2 | 109.5° | 114.0° |
| O2 | C3 | H3 | 111.0° | 109.5° |
| C2 | C1 | C10 | 108.1° | 109.4° |
| C2 | C1 | O1 | 112.1° | 109.5° |
| C1 | C2 | C3 | 109.1° | 109.8° |
| C1 | C2 | O4 | 113.7° | 109.4° |
| C2 | C1 | H1 | 108.8° | 109.4° |
| C1 | C2 | H2 | 106.8° | 109.4° |
| C10 | C1 | O1 | 110.1° | 109.5° |
| C1 | C10 | C5 | 117.4° | 108.6° |
| C10 | C1 | H1 | 110.9° | 109.5° |
| C1 | C10 | H10 | 106.9° | 109.6° |
| C1 | C10 | H10A | 105.0° | 109.6° |
| O1 | C1 | H1 | 106.8° | 109.5° |
| C1 | O1 | HO1 | 109.5° | 114.0° |
| C3 | C2 | O4 | 109.4° | 109.4° |
| C2 | C3 | C4 | 108.3° | 109.4° |
| C3 | C2 | H2 | 111.3° | 109.4° |
| C2 | C3 | H3 | 110.7° | 109.5° |
| C2 | O4 | C30 | 107.3° | 114.0° |
| O4 | C2 | H2 | 106.5° | 109.3° |
| C3 | C4 | C5 | 116.7° | 108.5° |
| C4 | C3 | H3 | 110.7° | 109.5° |
| C3 | C4 | H4 | 107.1° | 109.6° |
| C3 | C4 | H4A | 105.5° | 109.6° |
| C4 | C5 | C6 | 122.5° | 120.8° |
| C4 | C5 | C10 | 114.2° | 118.3° |
| C5 | C4 | H4 | 107.1° | 109.6° |
| C5 | C4 | H4A | 105.5° | 109.6° |
| C6 | C5 | C10 | 118.9° | 120.9° |
| C5 | C6 | C7 | 130.2° | 120.0° |
| C5 | C6 | H6 | 114.9° | 120.0° |
| C5 | C10 | H10 | 106.9° | 109.7° |
| C5 | C10 | H10A | 105.1° | 109.6° |
| C6 | C7 | C8 | 124.6° | 120.0° |
| C7 | C6 | H6 | 114.9° | 120.0° |
| C6 | C7 | H7 | 117.7° | 120.0° |
| C7 | C8 | C9 | 125.7° | 122.9° |
| C7 | C8 | C14 | 125.0° | 122.8° |
| C8 | C7 | H7 | 117.7° | 120.0° |
| C9 | C8 | C14 | 109.2° | 114.3° |
| C8 | C9 | C11 | 115.2° | 111.0° |
| C8 | C9 | H9 | 107.6° | 109.1° |
| C8 | C9 | H9A | 106.3° | 109.1° |
| C8 | C14 | C13 | 112.2° | 104.6° |
| C8 | C14 | C15 | 122.5° | 117.4° |
| C8 | C14 | H14 | 96.1° | 111.5° |
| C9 | C11 | C12 | 111.7° | 112.1° |
| C11 | C9 | H9 | 107.6° | 109.2° |
| C11 | C9 | H9A | 106.3° | 109.2° |
| C9 | C11 | H11 | 108.8° | 108.9° |
| C9 | C11 | H11A | 108.3° | 109.0° |
| C11 | C12 | C13 | 115.3° | 107.4° |
| C12 | C11 | H11 | 108.7° | 108.9° |
| C12 | C11 | H11A | 108.3° | 109.0° |
| C11 | C12 | H12 | 107.6° | 109.9° |
| C11 | C12 | H12A | 106.2° | 109.9° |
| C12 | C13 | C14 | 105.3° | 108.5° |
| C12 | C13 | C17 | 116.4° | 122.9° |
| C12 | C13 | C18 | 103.8° | 107.2° |
| C13 | C12 | H12 | 107.6° | 109.9° |
| C13 | C12 | H12A | 106.2° | 109.9° |
| C14 | C13 | C17 | 98.0° | 104.3° |
| C14 | C13 | C18 | 116.7° | 106.3° |
| C13 | C14 | C15 | 105.4° | 98.0° |
| C13 | C14 | H14 | 116.5° | 111.9° |
| C17 | C13 | C18 | 116.6° | 106.6° |
| C13 | C17 | C16 | 106.7° | 108.7° |
| C13 | C17 | C20 | 114.8° | 125.7° |
| C13 | C18 | H18 | 109.5° | 109.5° |
| C13 | C18 | H18A | 109.5° | 109.5° |
| C13 | C18 | H18B | 109.5° | 109.5° |
| C14 | C15 | C16 | 102.8° | 102.5° |
| C15 | C14 | H14 | 104.3° | 112.4° |
| C14 | C15 | H15 | 111.7° | 110.8° |
| C14 | C15 | H15A | 113.1° | 110.7° |
| C15 | C16 | C17 | 107.1° | 110.4° |
| C16 | C15 | H15 | 111.8° | 110.8° |
| C16 | C15 | H15A | 113.2° | 110.8° |
| C15 | C16 | H16 | 126.4° | 124.8° |
| C16 | C17 | C20 | 136.2° | 125.6° |
| C17 | C16 | H16 | 126.4° | 124.8° |
| C17 | C20 | C21 | 101.1° | 109.5° |
| C17 | C20 | S22 | 118.1° | 109.5° |
| C17 | C20 | H20 | 114.2° | 109.5° |
| C21 | C20 | S22 | 120.0° | 109.5° |
| C21 | C20 | H20 | 112.0° | 109.5° |
| C20 | C21 | H21 | 109.5° | 109.4° |
| C20 | C21 | H21A | 109.5° | 109.5° |
| C20 | C21 | H21B | 109.5° | 109.4° |
| C20 | S22 | C23 | 111.0° | 103.0° |
| S22 | C20 | H20 | 92.0° | 109.5° |
| S22 | C23 | C25 | 117.5° | 109.5° |
| S22 | C23 | H23 | 106.9° | 109.5° |
| S22 | C23 | H23A | 105.0° | 109.4° |
| C23 | C25 | O3 | 92.8° | 109.5° |
| C23 | C25 | C26 | 129.5° | 109.5° |
| C23 | C25 | C27 | 92.9° | 109.5° |
| C25 | C23 | H23 | 106.9° | 109.5° |
| C25 | C23 | H23A | 105.0° | 109.5° |
| O3 | C25 | C26 | 119.4° | 109.4° |
| O3 | C25 | C27 | 92.5° | 109.5° |
| C25 | O3 | HO3 | 109.5° | 114.0° |
| C26 | C25 | C27 | 120.7° | 109.5° |
| C25 | C26 | C29 | 111.8° | 109.5° |
| C25 | C26 | H26 | 108.7° | 109.4° |
| C25 | C26 | H26A | 108.2° | 109.5° |
| C25 | C27 | C28 | 119.6° | 109.5° |
| C25 | C27 | H27 | 106.3° | 109.5° |
| C25 | C27 | H27A | 103.9° | 109.5° |
| C29 | C26 | H26 | 108.7° | 109.5° |
| C29 | C26 | H26A | 108.2° | 109.5° |
| C26 | C29 | H29 | 109.5° | 109.4° |
| C26 | C29 | H29A | 109.5° | 109.5° |
| C26 | C29 | H29B | 109.5° | 109.4° |
| C28 | C27 | H27 | 106.2° | 109.5° |
| C28 | C27 | H27A | 103.9° | 109.5° |
| C27 | C28 | H28 | 109.5° | 109.4° |
| C27 | C28 | H28A | 109.5° | 109.4° |
| C27 | C28 | H28B | 109.5° | 109.5° |
| O4 | C30 | C31 | 100.2° | 109.4° |
| O4 | C30 | H30 | 112.7° | 109.5° |
| O4 | C30 | H30A | 114.6° | 109.5° |
| C30 | C31 | O5 | 103.3° | 109.5° |
| C31 | C30 | H30 | 112.7° | 109.4° |
| C31 | C30 | H30A | 114.6° | 109.5° |
| C30 | C31 | H31 | 111.6° | 109.4° |
| C30 | C31 | H31A | 112.9° | 109.5° |
| O5 | C31 | H31 | 111.6° | 109.5° |
| O5 | C31 | H31A | 112.9° | 109.5° |
| C31 | O5 | HO5 | 109.5° | 113.9° |
| H4 | C4 | H4A | 115.3° | 109.8° |
| H9 | C9 | H9A | 114.0° | 109.1° |
| H10 | C10 | H10A | 115.9° | 109.8° |
| H11 | C11 | H11A | 111.1° | 108.9° |
| H12 | C12 | H12A | 114.2° | 109.9° |
| H15 | C15 | H15A | 104.5° | 110.9° |
| H18 | C18 | H18A | 109.4° | 109.4° |
| H18 | C18 | H18B | 109.5° | 109.4° |
| H18A | C18 | H18B | 109.5° | 109.5° |
| H21 | C21 | H21A | 109.4° | 109.5° |
| H21 | C21 | H21B | 109.5° | 109.4° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| H23 | C23 | H23A | 116.0° | 109.5° |
| H26 | C26 | H26A | 111.3° | 109.5° |
| H27 | C27 | H27A | 117.8° | 109.4° |
| H30 | C30 | H30A | 102.6° | 109.5° |
| H31 | C31 | H31A | 104.8° | 109.5° |
| H29 | C29 | H29A | 109.5° | 109.5° |
| H29 | C29 | H29B | 109.4° | 109.5° |
| H29A | C29 | H29B | 109.5° | 109.5° |
| H28 | C28 | H28A | 109.5° | 109.5° |
| H28 | C28 | H28B | 109.4° | 109.5° |
| H28A | C28 | H28B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O2 | C3 | C2 | C1 | 56.9° | 56.4° |
| O2 | C3 | C2 | C4 | 116.8° | 120.0° |
| O2 | C3 | C2 | H3 | 121.7° | 120.0° |
| O2 | C3 | C2 | O4 | 68.0° | 63.7° |
| O2 | C3 | C4 | H3 | 121.7° | 120.0° |
| O2 | C3 | C4 | C5 | 68.6° | 65.4° |
| O2 | C3 | C2 | H2 | 174.6° | 176.5° |
| O2 | C3 | C4 | H4 | 51.4° | 54.3° |
| O2 | C3 | C4 | H4A | 174.7° | 174.9° |
| C2 | C1 | C10 | O1 | 122.8° | 120.0° |
| C2 | C1 | C10 | H1 | 119.3° | 119.9° |
| C2 | C1 | O1 | H1 | 119.1° | 120.0° |
| C1 | C2 | C3 | O4 | 124.9° | 120.1° |
| C1 | C2 | C3 | H2 | 117.6° | 120.1° |
| C1 | C2 | O4 | H2 | 117.4° | 119.8° |
| C1 | C2 | C3 | C4 | 59.8° | 63.6° |
| C2 | C1 | C10 | C5 | 53.7° | 54.6° |
| C1 | C2 | O4 | C30 | 137.0° | 150.0° |
| C1 | C2 | C3 | H3 | 178.6° | 176.4° |
| C2 | C1 | C10 | H10 | 66.3° | 65.2° |
| C2 | C1 | C10 | H10A | 170.0° | 174.3° |
| C2 | C1 | O1 | HO1 | 29.4° | 180.0° |
| C10 | C1 | O1 | H1 | 120.5° | 120.0° |
| C10 | C1 | C2 | C3 | 62.5° | 63.6° |
| C10 | C1 | C2 | O4 | 175.2° | 176.3° |
| C1 | C10 | C5 | C4 | 41.4° | 51.4° |
| C1 | C10 | C5 | C6 | 161.8° | 128.7° |
| C1 | C10 | C5 | H10 | 120.0° | 119.7° |
| C1 | C10 | C5 | H10A | 116.3° | 119.7° |
| C10 | C1 | C2 | H2 | 58.0° | 56.6° |
| C1 | C10 | H10 | H10A | 116.7° | 120.4° |
| C10 | C1 | O1 | HO1 | 149.8° | 60.0° |
| O1 | C1 | C2 | C3 | 176.0° | 176.4° |
| O1 | C1 | C2 | O4 | 53.6° | 56.2° |
| O1 | C1 | C10 | C5 | 176.5° | 174.6° |
| O1 | C1 | C2 | H2 | 63.5° | 63.5° |
| O1 | C1 | C10 | H10 | 56.5° | 54.9° |
| O1 | C1 | C10 | H10A | 67.2° | 65.7° |
| C3 | C2 | O4 | H2 | 120.4° | 119.8° |
| C2 | C3 | C4 | H3 | 121.6° | 120.0° |
| C2 | C3 | C4 | C5 | 48.1° | 54.6° |
| C3 | C2 | O4 | C30 | 100.8° | 89.6° |
| C2 | C3 | O2 | HO2 | 55.5° | 180.0° |
| C3 | C2 | C1 | H1 | 58.1° | 56.4° |
| C2 | C3 | C4 | H4 | 168.1° | 174.3° |
| C2 | C3 | C4 | H4A | 68.5° | 65.1° |
| O4 | C2 | C3 | C4 | 175.3° | 176.3° |
| C2 | O4 | C30 | C31 | 179.4° | 180.0° |
| O4 | C2 | C1 | H1 | 64.3° | 63.8° |
| O4 | C2 | C3 | H3 | 53.7° | 56.3° |
| C2 | O4 | C30 | H30 | 59.4° | 60.1° |
| C2 | O4 | C30 | H30A | 57.4° | 60.0° |
| C3 | C4 | C5 | H4 | 120.0° | 119.7° |
| C3 | C4 | C5 | H4A | 116.7° | 119.7° |
| C3 | C4 | C5 | C6 | 165.8° | 128.7° |
| C3 | C4 | C5 | C10 | 38.3° | 51.4° |
| C4 | C3 | O2 | HO2 | 172.4° | 60.0° |
| C4 | C3 | C2 | H2 | 57.8° | 56.5° |
| C3 | C4 | H4 | H4A | 117.0° | 120.5° |
| C4 | C5 | C6 | C10 | 154.8° | 180.0° |
| C4 | C5 | C6 | C7 | 158.2° | 174.0° |
| C5 | C4 | C3 | H3 | 169.7° | 174.6° |
| C5 | C4 | H4 | H4A | 117.0° | 120.5° |
| C4 | C5 | C6 | H6 | 21.9° | 6.0° |
| C4 | C5 | C10 | H10 | 78.6° | 68.4° |
| C4 | C5 | C10 | H10A | 157.7° | 171.1° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 176.6° | 174.9° |
| C6 | C5 | C4 | H4 | 45.8° | 9.0° |
| C6 | C5 | C4 | H4A | 77.5° | 111.6° |
| C5 | C6 | C7 | H7 | 3.3° | 5.1° |
| C6 | C5 | C10 | H10 | 78.2° | 111.6° |
| C6 | C5 | C10 | H10A | 45.5° | 9.0° |
| C10 | C5 | C6 | C7 | 47.0° | 6.0° |
| C5 | C10 | C1 | H1 | 65.5° | 65.3° |
| C10 | C5 | C4 | H4 | 158.3° | 171.1° |
| C10 | C5 | C4 | H4A | 78.3° | 68.3° |
| C10 | C5 | C6 | H6 | 133.0° | 174.0° |
| C5 | C10 | H10 | H10A | 116.7° | 120.5° |
| C6 | C7 | C8 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | C9 | 31.9° | 0.0° |
| C6 | C7 | C8 | C14 | 153.8° | 179.7° |
| C7 | C8 | C9 | C14 | 175.1° | 179.7° |
| C7 | C8 | C9 | C11 | 133.1° | 128.5° |
| C7 | C8 | C14 | C13 | 119.5° | 120.2° |
| C7 | C8 | C14 | C15 | 7.5° | 12.9° |
| C8 | C7 | C6 | H6 | 3.4° | 5.2° |
| C7 | C8 | C9 | H9 | 106.9° | 111.1° |
| C7 | C8 | C9 | H9A | 15.6° | 8.0° |
| C7 | C8 | C14 | H14 | 118.7° | 118.8° |
| C8 | C9 | C11 | H9 | 120.0° | 120.4° |
| C8 | C9 | C11 | H9A | 117.4° | 120.4° |
| C8 | C9 | C11 | C12 | 40.9° | 48.0° |
| C9 | C8 | C14 | C13 | 65.4° | 59.5° |
| C9 | C8 | C14 | C15 | 167.6° | 166.8° |
| C9 | C8 | C7 | H7 | 148.1° | 179.9° |
| C8 | C9 | H9 | H9A | 117.6° | 119.2° |
| C8 | C9 | C11 | H11 | 160.9° | 168.6° |
| C8 | C9 | C11 | H11A | 78.2° | 72.8° |
| C9 | C8 | C14 | H14 | 56.4° | 61.5° |
| C14 | C8 | C9 | C11 | 51.9° | 51.3° |
| C8 | C14 | C13 | C12 | 65.5° | 68.0° |
| C8 | C14 | C13 | C15 | 135.6° | 121.2° |
| C8 | C14 | C13 | H14 | 109.3° | 120.8° |
| C8 | C14 | C13 | C17 | 174.3° | 159.4° |
| C8 | C14 | C13 | C18 | 49.0° | 47.0° |
| C8 | C14 | C15 | H14 | 107.0° | 131.3° |
| C8 | C14 | C15 | C16 | 150.1° | 146.8° |
| C14 | C8 | C7 | H7 | 26.2° | 0.3° |
| C14 | C8 | C9 | H9 | 68.1° | 69.1° |
| C14 | C8 | C9 | H9A | 169.3° | 171.7° |
| C8 | C14 | C15 | H15 | 30.1° | 28.6° |
| C8 | C14 | C15 | H15A | 87.5° | 95.0° |
| C9 | C11 | C12 | H11 | 120.0° | 120.6° |
| C9 | C11 | C12 | H11A | 119.1° | 120.7° |
| C9 | C11 | C12 | C13 | 43.3° | 57.1° |
| C11 | C9 | H9 | H9A | 117.7° | 119.3° |
| C9 | C11 | H11 | H11A | 119.1° | 118.7° |
| C9 | C11 | C12 | H12 | 76.7° | 62.3° |
| C9 | C11 | C12 | H12A | 160.7° | 176.6° |
| C11 | C12 | C13 | H12 | 120.0° | 119.5° |
| C11 | C12 | C13 | H12A | 117.4° | 119.5° |
| C11 | C12 | C13 | C14 | 53.3° | 67.7° |
| C11 | C12 | C13 | C17 | 160.6° | 170.5° |
| C11 | C12 | C13 | C18 | 69.8° | 46.7° |
| C12 | C11 | C9 | H9 | 79.1° | 72.4° |
| C12 | C11 | C9 | H9A | 158.3° | 168.4° |
| C12 | C11 | H11 | H11A | 119.1° | 118.8° |
| C11 | C12 | H12 | H12A | 117.6° | 121.0° |
| C12 | C13 | C14 | C17 | 120.3° | 132.6° |
| C12 | C13 | C14 | C18 | 114.4° | 115.0° |
| C12 | C13 | C17 | C18 | 123.2° | 124.1° |
| C12 | C13 | C14 | C15 | 158.9° | 170.8° |
| C12 | C13 | C17 | C16 | 155.9° | 150.4° |
| C12 | C13 | C17 | C20 | 38.4° | 30.2° |
| C13 | C12 | C11 | H11 | 163.3° | 177.7° |
| C13 | C12 | C11 | H11A | 75.8° | 63.6° |
| C13 | C12 | H12 | H12A | 117.6° | 121.0° |
| C12 | C13 | C14 | H14 | 43.9° | 52.7° |
| C12 | C13 | C18 | H18 | 49.5° | 60.7° |
| C12 | C13 | C18 | H18A | 70.5° | 179.3° |
| C12 | C13 | C18 | H18B | 169.5° | 59.3° |
| C14 | C13 | C17 | C18 | 125.3° | 112.2° |
| C13 | C14 | C15 | H14 | 123.2° | 117.7° |
| C13 | C14 | C15 | C16 | 20.2° | 35.7° |
| C14 | C13 | C17 | C16 | 44.4° | 26.7° |
| C14 | C13 | C17 | C20 | 149.9° | 153.9° |
| C14 | C13 | C12 | H12 | 66.7° | 51.8° |
| C14 | C13 | C12 | H12A | 170.7° | 172.8° |
| C13 | C14 | C15 | H15 | 99.8° | 82.5° |
| C13 | C14 | C15 | H15A | 142.6° | 154.0° |
| C14 | C13 | C18 | H18 | 164.7° | 55.3° |
| C14 | C13 | C18 | H18A | 44.7° | 64.7° |
| C14 | C13 | C18 | H18B | 75.3° | 175.2° |
| C17 | C13 | C14 | C15 | 38.6° | 38.2° |
| C13 | C17 | C16 | C15 | 33.7° | 2.4° |
| C13 | C17 | C16 | C20 | 161.1° | 179.4° |
| C13 | C17 | C20 | C21 | 170.4° | 69.9° |
| C13 | C17 | C20 | S22 | 56.5° | 170.1° |
| C17 | C13 | C12 | H12 | 40.6° | 70.0° |
| C17 | C13 | C12 | H12A | 82.0° | 51.0° |
| C17 | C13 | C14 | H14 | 76.4° | 79.8° |
| C13 | C17 | C16 | H16 | 146.3° | 178.0° |
| C17 | C13 | C18 | H18 | 80.0° | 166.1° |
| C17 | C13 | C18 | H18A | 160.0° | 46.1° |
| C17 | C13 | C18 | H18B | 40.0° | 74.0° |
| C13 | C17 | C20 | H20 | 49.9° | 50.1° |
| C18 | C13 | C14 | C15 | 86.6° | 74.2° |
| C18 | C13 | C17 | C16 | 80.9° | 85.5° |
| C18 | C13 | C17 | C20 | 84.8° | 93.9° |
| C18 | C13 | C12 | H12 | 170.2° | 166.2° |
| C18 | C13 | C12 | H12A | 47.6° | 72.7° |
| C18 | C13 | C14 | H14 | 158.3° | 167.8° |
| C13 | C18 | H18 | H18A | 120.0° | 120.0° |
| C13 | C18 | H18 | H18B | 120.0° | 120.0° |
| C13 | C18 | H18A | H18B | 120.0° | 120.0° |
| C14 | C15 | C16 | H15 | 120.0° | 118.3° |
| C14 | C15 | C16 | H15A | 122.4° | 118.2° |
| C14 | C15 | C16 | C17 | 7.3° | 22.8° |
| C14 | C15 | H15 | H15A | 122.7° | 123.4° |
| C14 | C15 | C16 | H16 | 172.6° | 156.7° |
| C15 | C16 | C17 | H16 | 180.0° | 179.5° |
| C15 | C16 | C17 | C20 | 165.2° | 178.2° |
| C16 | C15 | C14 | H14 | 103.0° | 81.9° |
| C16 | C15 | H15 | H15A | 122.7° | 123.5° |
| C16 | C17 | C20 | C21 | 29.6° | 110.8° |
| C16 | C17 | C20 | S22 | 103.5° | 9.3° |
| C17 | C16 | C15 | H15 | 127.3° | 95.4° |
| C17 | C16 | C15 | H15A | 115.1° | 141.0° |
| C16 | C17 | C20 | H20 | 150.0° | 129.3° |
| C17 | C20 | C21 | S22 | 131.9° | 120.0° |
| C17 | C20 | C21 | H20 | 122.0° | 120.0° |
| C17 | C20 | S22 | H20 | 119.0° | 120.0° |
| C17 | C20 | S22 | C23 | 65.0° | 175.0° |
| C20 | C17 | C16 | H16 | 14.9° | 1.4° |
| C17 | C20 | C21 | H21 | 41.9° | 60.0° |
| C17 | C20 | C21 | H21A | 78.0° | 60.0° |
| C17 | C20 | C21 | H21B | 161.9° | 180.0° |
| C21 | C20 | S22 | H20 | 117.0° | 120.0° |
| C21 | C20 | S22 | C23 | 59.1° | 65.0° |
| C20 | C21 | H21 | H21A | 120.0° | 120.0° |
| C20 | C21 | H21 | H21B | 120.0° | 119.9° |
| C20 | C21 | H21A | H21B | 120.0° | 120.0° |
| C20 | S22 | C23 | C25 | 135.6° | 180.0° |
| S22 | C20 | C21 | H21 | 90.0° | 60.0° |
| S22 | C20 | C21 | H21A | 150.1° | 180.0° |
| S22 | C20 | C21 | H21B | 30.0° | 59.9° |
| C20 | S22 | C23 | H23 | 104.4° | 60.0° |
| C20 | S22 | C23 | H23A | 19.4° | 60.0° |
| S22 | C23 | C25 | H23 | 120.0° | 120.0° |
| S22 | C23 | C25 | H23A | 116.3° | 120.0° |
| S22 | C23 | C25 | O3 | 90.0° | 65.0° |
| S22 | C23 | C25 | C26 | 42.6° | 175.0° |
| S22 | C23 | C25 | C27 | 177.3° | 55.0° |
| C23 | S22 | C20 | H20 | 176.0° | 55.0° |
| S22 | C23 | H23 | H23A | 116.7° | 120.0° |
| C23 | C25 | O3 | C26 | 139.3° | 120.0° |
| C23 | C25 | O3 | C27 | 93.0° | 120.0° |
| C23 | C25 | C26 | C27 | 124.4° | 120.0° |
| C23 | C25 | C26 | C29 | 58.1° | 57.1° |
| C23 | C25 | C27 | C28 | 171.4° | 179.9° |
| C25 | C23 | H23 | H23A | 116.7° | 120.0° |
| C23 | C25 | O3 | HO3 | 88.7° | 60.0° |
| C23 | C25 | C26 | H26 | 178.1° | 62.9° |
| C23 | C25 | C26 | H26A | 60.9° | 177.1° |
| C23 | C25 | C27 | H27 | 68.6° | 59.9° |
| C23 | C25 | C27 | H27A | 56.3° | 60.0° |
| O3 | C25 | C26 | C27 | 113.2° | 120.0° |
| O3 | C25 | C26 | C29 | 179.5° | 62.9° |
| O3 | C25 | C27 | C28 | 78.5° | 60.1° |
| O3 | C25 | C23 | H23 | 150.0° | 55.0° |
| O3 | C25 | C23 | H23A | 26.3° | 175.0° |
| O3 | C25 | C26 | H26 | 59.5° | 177.1° |
| O3 | C25 | C26 | H26A | 61.5° | 57.1° |
| O3 | C25 | C27 | H27 | 161.5° | 179.9° |
| O3 | C25 | C27 | H27A | 36.7° | 60.0° |
| C25 | C26 | C29 | H26 | 120.0° | 119.9° |
| C25 | C26 | C29 | H26A | 119.0° | 120.0° |
| C26 | C25 | C27 | C28 | 48.2° | 59.9° |
| C26 | C25 | C23 | H23 | 77.5° | 65.0° |
| C26 | C25 | C23 | H23A | 158.8° | 55.0° |
| C26 | C25 | O3 | HO3 | 132.0° | 60.0° |
| C25 | C26 | H26 | H26A | 119.0° | 120.0° |
| C26 | C25 | C27 | H27 | 71.8° | 60.1° |
| C26 | C25 | C27 | H27A | 163.3° | 180.0° |
| C25 | C26 | C29 | H29 | 128.8° | 54.9° |
| C25 | C26 | C29 | H29A | 8.9° | 65.1° |
| C25 | C26 | C29 | H29B | 111.2° | 174.9° |
| C27 | C25 | C26 | C29 | 66.3° | 177.1° |
| C25 | C27 | C28 | H27 | 120.0° | 120.0° |
| C25 | C27 | C28 | H27A | 115.1° | 120.0° |
| C27 | C25 | C23 | H23 | 57.3° | 175.0° |
| C27 | C25 | C23 | H23A | 66.4° | 65.0° |
| C27 | C25 | O3 | HO3 | 4.3° | 180.0° |
| C27 | C25 | C26 | H26 | 53.7° | 57.1° |
| C27 | C25 | C26 | H26A | 174.7° | 62.9° |
| C25 | C27 | H27 | H27A | 115.9° | 120.0° |
| C25 | C27 | C28 | H28 | 160.5° | 54.8° |
| C25 | C27 | C28 | H28A | 79.5° | 65.1° |
| C25 | C27 | C28 | H28B | 40.5° | 174.8° |
| C29 | C26 | H26 | H26A | 119.1° | 120.1° |
| C26 | C29 | H29 | H29A | 120.0° | 120.0° |
| C26 | C29 | H29 | H29B | 120.0° | 119.9° |
| C26 | C29 | H29A | H29B | 120.0° | 120.0° |
| C28 | C27 | H27 | H27A | 115.8° | 120.0° |
| C27 | C28 | H28 | H28A | 120.0° | 119.9° |
| C27 | C28 | H28 | H28B | 120.0° | 120.0° |
| C27 | C28 | H28A | H28B | 120.0° | 120.0° |
| O4 | C30 | C31 | H30 | 120.0° | 120.0° |
| O4 | C30 | C31 | H30A | 123.2° | 120.0° |
| O4 | C30 | C31 | O5 | 91.5° | 65.0° |
| C30 | O4 | C2 | H2 | 19.6° | 30.2° |
| O4 | C30 | H30 | H30A | 123.7° | 120.1° |
| O4 | C30 | C31 | H31 | 148.5° | 175.0° |
| O4 | C30 | C31 | H31A | 30.8° | 55.0° |
| C30 | C31 | O5 | H31 | 120.0° | 120.0° |
| C30 | C31 | O5 | H31A | 122.2° | 120.0° |
| C31 | C30 | H30 | H30A | 123.7° | 120.0° |
| C30 | C31 | H31 | H31A | 122.5° | 120.0° |
| C30 | C31 | O5 | HO5 | 154.4° | 180.0° |
| O5 | C31 | C30 | H30 | 28.6° | 55.0° |
| O5 | C31 | C30 | H30A | 145.4° | 175.0° |
| O5 | C31 | H31 | H31A | 122.5° | 120.0° |
| HO2 | O2 | C3 | H3 | 66.1° | 60.0° |
| H1 | C1 | C2 | H2 | 178.5° | 176.5° |
| H1 | C1 | C10 | H10 | 174.5° | 174.9° |
| H1 | C1 | C10 | H10A | 50.8° | 54.4° |
| H1 | C1 | O1 | HO1 | 89.8° | 60.0° |
| H2 | C2 | C3 | H3 | 63.7° | 63.5° |
| H3 | C3 | C4 | H4 | 70.3° | 65.7° |
| H3 | C3 | C4 | H4A | 53.0° | 54.9° |
| H6 | C6 | C7 | H7 | 176.7° | 174.9° |
| H9 | C9 | C11 | H11 | 40.9° | 48.2° |
| H9 | C9 | C11 | H11A | 161.8° | 166.9° |
| H9A | C9 | C11 | H11 | 81.7° | 71.0° |
| H9A | C9 | C11 | H11A | 39.2° | 47.6° |
| H11 | C11 | C12 | H12 | 43.3° | 58.3° |
| H11 | C11 | C12 | H12A | 79.3° | 62.8° |
| H11A | C11 | C12 | H12 | 164.2° | 177.0° |
| H11A | C11 | C12 | H12A | 41.6° | 55.9° |
| H14 | C14 | C15 | H15 | 137.0° | 159.8° |
| H14 | C14 | C15 | H15A | 19.5° | 36.3° |
| H15 | C15 | C16 | H16 | 52.6° | 85.0° |
| H15A | C15 | C16 | H16 | 65.0° | 38.5° |
| H18 | C18 | H18A | H18B | 120.0° | 119.9° |
| H20 | C20 | C21 | H21 | 164.0° | 180.0° |
| H20 | C20 | C21 | H21A | 44.0° | 60.0° |
| H20 | C20 | C21 | H21B | 76.0° | 60.1° |
| H21 | C21 | H21A | H21B | 120.0° | 120.0° |
| H26 | C26 | C29 | H29 | 111.1° | 174.9° |
| H26 | C26 | C29 | H29A | 128.9° | 54.9° |
| H26 | C26 | C29 | H29B | 8.8° | 65.1° |
| H26A | C26 | C29 | H29 | 9.8° | 65.1° |
| H26A | C26 | C29 | H29A | 110.1° | 174.9° |
| H26A | C26 | C29 | H29B | 129.8° | 54.9° |
| H27 | C27 | C28 | H28 | 40.5° | 174.8° |
| H27 | C27 | C28 | H28A | 160.5° | 54.9° |
| H27 | C27 | C28 | H28B | 79.5° | 65.2° |
| H27A | C27 | C28 | H28 | 84.4° | 65.2° |
| H27A | C27 | C28 | H28A | 35.6° | 174.9° |
| H27A | C27 | C28 | H28B | 155.6° | 54.8° |
| H30 | C30 | C31 | H31 | 91.4° | 65.0° |
| H30 | C30 | C31 | H31A | 150.8° | 175.0° |
| H30A | C30 | C31 | H31 | 25.4° | 55.0° |
| H30A | C30 | C31 | H31A | 92.4° | 65.0° |
| H31 | C31 | O5 | HO5 | 34.4° | 60.1° |
| H31A | C31 | O5 | HO5 | 83.4° | 60.0° |
| H29 | C29 | H29A | H29B | 119.9° | 120.1° |
| H28 | C28 | H28A | H28B | 120.0° | 120.1° |
