A4H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O10 | C10 | doub | 1.21Å | 1.23Å | |
| C14 | C12 | sing | 1.53Å | 1.56Å | |
| C10 | C9 | sing | 1.47Å | 1.49Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C9 | C8 | doub | 1.33Å | 1.35Å | |
| C11 | C12 | sing | 1.54Å | 1.55Å | |
| C8 | C13 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.50Å | 1.54Å | |
| C12 | C7 | sing | 1.53Å | 1.59Å | |
| C12 | C15 | sing | 1.53Å | 1.55Å | |
| C7 | O7 | sing | 1.43Å | 1.43Å | |
| C7 | C5 | sing | 1.51Å | 1.53Å | |
| C5 | C4 | doub | 1.33Å | 1.35Å | |
| C4 | C3 | sing | 1.46Å | 1.47Å | |
| C24 | C6 | sing | 1.53Å | 1.48Å | |
| C24 | C23 | sing | 1.53Å | 1.50Å | |
| C3 | C6 | sing | 1.51Å | 1.51Å | |
| C3 | C2 | doub | 1.35Å | 1.35Å | |
| O11 | C1 | doub | 1.22Å | 1.21Å | |
| C6 | C23 | sing | 1.53Å | 1.48Å | |
| C2 | C1 | sing | 1.42Å | 1.48Å | |
| C1 | O12 | sing | 1.35Å | 1.34Å | |
| C2 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C13 | H4 | sing | 1.09Å | 1.10Å | |
| C13 | H5 | sing | 1.09Å | 1.10Å | |
| C13 | H6 | sing | 1.09Å | 1.10Å | |
| C15 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C24 | H10 | sing | 1.09Å | 1.10Å | |
| C24 | H11 | sing | 1.09Å | 1.10Å | |
| O12 | H12 | sing | 0.97Å | 0.95Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C4 | H15 | sing | 1.08Å | 1.08Å | |
| O7 | H16 | sing | 0.97Å | 0.95Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C14 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| C9 | H20 | sing | 1.08Å | 1.08Å | |
| C11 | H21 | sing | 1.09Å | 1.10Å | |
| C11 | H22 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O10 | C10 | C9 | 118.9° | 121.1° |
| O10 | C10 | C11 | 121.6° | 121.2° |
| C14 | C12 | C11 | 108.8° | 109.6° |
| C14 | C12 | C7 | 112.6° | 109.5° |
| C14 | C12 | C15 | 104.1° | 109.6° |
| C12 | C14 | H17 | 109.5° | 109.5° |
| C12 | C14 | H18 | 109.5° | 109.5° |
| C12 | C14 | H19 | 109.5° | 109.5° |
| C9 | C10 | C11 | 119.5° | 117.7° |
| C10 | C9 | C8 | 122.0° | 120.7° |
| C10 | C9 | H20 | 119.0° | 119.7° |
| C10 | C11 | C12 | 113.6° | 107.3° |
| C10 | C11 | H21 | 108.4° | 109.9° |
| C10 | C11 | H22 | 108.4° | 109.9° |
| C9 | C8 | C13 | 118.5° | 118.4° |
| C9 | C8 | C7 | 122.3° | 123.2° |
| C8 | C9 | H20 | 119.0° | 119.7° |
| C11 | C12 | C7 | 110.8° | 109.0° |
| C11 | C12 | C15 | 107.7° | 109.5° |
| C12 | C11 | H21 | 108.5° | 109.8° |
| C12 | C11 | H22 | 108.4° | 110.0° |
| C13 | C8 | C7 | 119.2° | 118.4° |
| C8 | C13 | H4 | 109.5° | 109.5° |
| C8 | C13 | H5 | 109.5° | 109.4° |
| C8 | C13 | H6 | 109.5° | 109.4° |
| C8 | C7 | C12 | 111.9° | 111.1° |
| C8 | C7 | O7 | 108.5° | 109.1° |
| C8 | C7 | C5 | 107.1° | 109.1° |
| C7 | C12 | C15 | 112.5° | 109.5° |
| C12 | C7 | O7 | 107.4° | 109.1° |
| C12 | C7 | C5 | 111.9° | 109.2° |
| C12 | C15 | H7 | 109.5° | 109.4° |
| C12 | C15 | H8 | 109.4° | 109.5° |
| C12 | C15 | H9 | 109.4° | 109.5° |
| O7 | C7 | C5 | 110.0° | 109.1° |
| C7 | O7 | H16 | 109.5° | 113.9° |
| C7 | C5 | C4 | 128.0° | 120.0° |
| C7 | C5 | H2 | 116.0° | 120.0° |
| C5 | C4 | C3 | 129.3° | 120.0° |
| C4 | C5 | H2 | 116.0° | 120.0° |
| C5 | C4 | H15 | 115.3° | 119.9° |
| C4 | C3 | C6 | 119.4° | 120.0° |
| C4 | C3 | C2 | 122.5° | 120.0° |
| C3 | C4 | H15 | 115.3° | 120.0° |
| C6 | C24 | C23 | 59.7° | 60.0° |
| C24 | C6 | C3 | 122.8° | 117.5° |
| C24 | C6 | C23 | 60.5° | 60.0° |
| C24 | C6 | H3 | 114.5° | 117.5° |
| C6 | C24 | H10 | 120.1° | 117.5° |
| C6 | C24 | H11 | 120.1° | 117.6° |
| C24 | C23 | C6 | 59.7° | 60.0° |
| C23 | C24 | H10 | 120.1° | 117.5° |
| C23 | C24 | H11 | 120.1° | 117.5° |
| C24 | C23 | H13 | 120.1° | 117.5° |
| C24 | C23 | H14 | 120.1° | 117.6° |
| C6 | C3 | C2 | 118.2° | 120.0° |
| C3 | C6 | C23 | 120.0° | 117.5° |
| C3 | C6 | H3 | 114.1° | 115.5° |
| C3 | C2 | C1 | 129.6° | 120.0° |
| C3 | C2 | H1 | 115.2° | 120.0° |
| O11 | C1 | C2 | 129.7° | 120.0° |
| O11 | C1 | O12 | 121.1° | 120.0° |
| C23 | C6 | H3 | 114.5° | 117.5° |
| C6 | C23 | H13 | 120.1° | 117.5° |
| C6 | C23 | H14 | 120.0° | 117.5° |
| C2 | C1 | O12 | 109.2° | 120.0° |
| C1 | C2 | H1 | 115.2° | 120.0° |
| C1 | O12 | H12 | 109.5° | 114.0° |
| H4 | C13 | H5 | 109.5° | 109.5° |
| H4 | C13 | H6 | 109.5° | 109.5° |
| H5 | C13 | H6 | 109.5° | 109.5° |
| H7 | C15 | H8 | 109.5° | 109.5° |
| H7 | C15 | H9 | 109.5° | 109.5° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C24 | H11 | 109.4° | 115.5° |
| H13 | C23 | H14 | 109.4° | 115.5° |
| H17 | C14 | H18 | 109.5° | 109.5° |
| H17 | C14 | H19 | 109.4° | 109.5° |
| H18 | C14 | H19 | 109.5° | 109.5° |
| H21 | C11 | H22 | 109.5° | 109.9° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O10 | C10 | C9 | C11 | 179.8° | 180.0° |
| O10 | C10 | C9 | C8 | 179.6° | 168.6° |
| O10 | C10 | C11 | C12 | 154.5° | 138.0° |
| O10 | C10 | C9 | H20 | 0.4° | 11.4° |
| O10 | C10 | C11 | H21 | 33.8° | 18.7° |
| O10 | C10 | C11 | H22 | 84.9° | 102.4° |
| C14 | C12 | C11 | C10 | 76.2° | 178.1° |
| C14 | C12 | C11 | C7 | 124.2° | 119.9° |
| C14 | C12 | C11 | C15 | 112.3° | 120.3° |
| C14 | C12 | C7 | C8 | 74.5° | 172.7° |
| C14 | C12 | C7 | C15 | 117.3° | 120.2° |
| C14 | C12 | C7 | O7 | 44.6° | 52.3° |
| C14 | C12 | C7 | C5 | 165.3° | 66.9° |
| C14 | C12 | C15 | H7 | 180.0° | 60.2° |
| C14 | C12 | C15 | H8 | 60.0° | 59.8° |
| C14 | C12 | C15 | H9 | 60.0° | 179.8° |
| C12 | C14 | H17 | H18 | 120.0° | 120.0° |
| C12 | C14 | H17 | H19 | 120.0° | 120.0° |
| C12 | C14 | H18 | H19 | 120.0° | 120.0° |
| C14 | C12 | C11 | H21 | 44.4° | 58.7° |
| C14 | C12 | C11 | H22 | 163.2° | 62.4° |
| C10 | C9 | C8 | H20 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 25.3° | 42.0° |
| C10 | C9 | C8 | C13 | 180.0° | 179.6° |
| C10 | C9 | C8 | C7 | 0.6° | 0.4° |
| C9 | C10 | C11 | H21 | 145.9° | 161.4° |
| C9 | C10 | C11 | H22 | 95.3° | 77.6° |
| C11 | C10 | C9 | C8 | 0.2° | 11.5° |
| C10 | C11 | C12 | H21 | 120.6° | 119.4° |
| C10 | C11 | C12 | H22 | 120.6° | 119.5° |
| C10 | C11 | C12 | C7 | 48.1° | 62.0° |
| C10 | C11 | C12 | C15 | 171.5° | 57.8° |
| C11 | C10 | C9 | H20 | 179.8° | 168.5° |
| C10 | C11 | H21 | H22 | 118.1° | 121.0° |
| C9 | C8 | C13 | C7 | 179.4° | 180.0° |
| C9 | C8 | C7 | C12 | 24.9° | 21.9° |
| C9 | C8 | C7 | O7 | 143.3° | 98.5° |
| C9 | C8 | C7 | C5 | 98.0° | 142.3° |
| C9 | C8 | C13 | H4 | 180.0° | 90.0° |
| C9 | C8 | C13 | H5 | 60.0° | 30.0° |
| C9 | C8 | C13 | H6 | 60.0° | 150.0° |
| C11 | C12 | C7 | C8 | 47.6° | 52.7° |
| C11 | C12 | C7 | C15 | 120.6° | 119.8° |
| C11 | C12 | C7 | O7 | 166.6° | 67.7° |
| C11 | C12 | C7 | C5 | 72.6° | 173.1° |
| C11 | C12 | C15 | H7 | 64.6° | 179.6° |
| C11 | C12 | C15 | H8 | 175.4° | 60.5° |
| C11 | C12 | C15 | H9 | 55.4° | 59.5° |
| C11 | C12 | C14 | H17 | 180.0° | 59.6° |
| C11 | C12 | C14 | H18 | 60.0° | 60.4° |
| C11 | C12 | C14 | H19 | 60.0° | 179.6° |
| C12 | C11 | H21 | H22 | 118.1° | 121.1° |
| C13 | C8 | C7 | C12 | 155.7° | 158.1° |
| C13 | C8 | C7 | O7 | 37.3° | 81.5° |
| C13 | C8 | C7 | C5 | 81.4° | 37.6° |
| C8 | C13 | H4 | H5 | 120.0° | 120.0° |
| C8 | C13 | H4 | H6 | 120.0° | 120.0° |
| C8 | C13 | H5 | H6 | 120.0° | 119.9° |
| C13 | C8 | C9 | H20 | 0.0° | 0.4° |
| C8 | C7 | C12 | O7 | 119.0° | 120.4° |
| C8 | C7 | C12 | C5 | 120.2° | 120.4° |
| C8 | C7 | C12 | C15 | 168.2° | 67.1° |
| C8 | C7 | O7 | C5 | 116.9° | 119.2° |
| C8 | C7 | C5 | C4 | 118.3° | 119.2° |
| C8 | C7 | C5 | H2 | 61.7° | 60.9° |
| C7 | C8 | C13 | H4 | 0.6° | 90.0° |
| C7 | C8 | C13 | H5 | 119.4° | 150.0° |
| C7 | C8 | C13 | H6 | 120.6° | 30.0° |
| C8 | C7 | O7 | H16 | 180.0° | 59.3° |
| C7 | C8 | C9 | H20 | 179.4° | 179.6° |
| C12 | C7 | O7 | C5 | 121.9° | 119.2° |
| C12 | C7 | C5 | C4 | 118.8° | 119.1° |
| C12 | C7 | C5 | H2 | 61.3° | 60.8° |
| C7 | C12 | C15 | H7 | 57.8° | 60.0° |
| C7 | C12 | C15 | H8 | 62.2° | 180.0° |
| C7 | C12 | C15 | H9 | 177.8° | 60.0° |
| C12 | C7 | O7 | H16 | 58.9° | 179.1° |
| C7 | C12 | C14 | H17 | 56.8° | 60.0° |
| C7 | C12 | C14 | H18 | 63.2° | 180.0° |
| C7 | C12 | C14 | H19 | 176.8° | 60.0° |
| C7 | C12 | C11 | H21 | 168.7° | 178.6° |
| C7 | C12 | C11 | H22 | 72.5° | 57.5° |
| C15 | C12 | C7 | O7 | 72.7° | 172.5° |
| C15 | C12 | C7 | C5 | 48.0° | 53.3° |
| C12 | C15 | H7 | H8 | 120.0° | 120.0° |
| C12 | C15 | H7 | H9 | 120.0° | 120.0° |
| C12 | C15 | H8 | H9 | 120.0° | 120.0° |
| C15 | C12 | C14 | H17 | 65.3° | 179.8° |
| C15 | C12 | C14 | H18 | 174.7° | 59.8° |
| C15 | C12 | C14 | H19 | 54.7° | 60.2° |
| C15 | C12 | C11 | H21 | 67.9° | 61.6° |
| C15 | C12 | C11 | H22 | 50.9° | 177.3° |
| O7 | C7 | C5 | C4 | 0.5° | 0.0° |
| O7 | C7 | C5 | H2 | 179.5° | 179.9° |
| C7 | C5 | C4 | H2 | 180.0° | 179.9° |
| C7 | C5 | C4 | C3 | 180.0° | 173.6° |
| C7 | C5 | C4 | H15 | 0.0° | 6.5° |
| C5 | C7 | O7 | H16 | 63.1° | 59.9° |
| C5 | C4 | C3 | H15 | 180.0° | 179.9° |
| C5 | C4 | C3 | C6 | 0.6° | 66.2° |
| C5 | C4 | C3 | C2 | 179.9° | 113.9° |
| C4 | C3 | C6 | C24 | 61.2° | 1.6° |
| C4 | C3 | C6 | C2 | 179.3° | 180.0° |
| C4 | C3 | C6 | C23 | 133.6° | 67.0° |
| C4 | C3 | C2 | C1 | 0.4° | 2.4° |
| C4 | C3 | C2 | H1 | 179.6° | 177.7° |
| C3 | C4 | C5 | H2 | 0.0° | 6.3° |
| C4 | C3 | C6 | H3 | 84.8° | 147.4° |
| C6 | C24 | C23 | H10 | 109.4° | 107.5° |
| C6 | C24 | C23 | H11 | 109.4° | 107.6° |
| C24 | C6 | C3 | C23 | 72.3° | 68.6° |
| C24 | C6 | C3 | H3 | 146.1° | 145.7° |
| C24 | C6 | C3 | C2 | 119.5° | 178.4° |
| C24 | C6 | C23 | H3 | 105.5° | 107.5° |
| C6 | C24 | H10 | H11 | 144.9° | 145.7° |
| C6 | C24 | C23 | H13 | 109.4° | 107.5° |
| C6 | C24 | C23 | H14 | 109.4° | 107.5° |
| C23 | C24 | H10 | H11 | 144.9° | 145.6° |
| C24 | C23 | H13 | H14 | 144.9° | 145.7° |
| C3 | C6 | C23 | H3 | 141.5° | 145.0° |
| C6 | C3 | C2 | C1 | 179.6° | 177.7° |
| C6 | C3 | C2 | H1 | 0.3° | 2.3° |
| C3 | C6 | C24 | H10 | 142.0° | 145.0° |
| C3 | C6 | C24 | H11 | 0.8° | 0.0° |
| C3 | C6 | C23 | H13 | 137.5° | 0.0° |
| C3 | C6 | C23 | H14 | 3.7° | 145.0° |
| C6 | C3 | C4 | H15 | 179.3° | 113.8° |
| C3 | C2 | C1 | O11 | 0.1° | 5.6° |
| C2 | C3 | C6 | C23 | 47.1° | 113.0° |
| C3 | C2 | C1 | H1 | 180.0° | 180.0° |
| C3 | C2 | C1 | O12 | 179.9° | 174.1° |
| C2 | C3 | C6 | H3 | 94.5° | 32.6° |
| C2 | C3 | C4 | H15 | 0.1° | 66.2° |
| O11 | C1 | C2 | O12 | 180.0° | 179.8° |
| O11 | C1 | C2 | H1 | 179.9° | 174.4° |
| O11 | C1 | O12 | H12 | 0.0° | 0.3° |
| C6 | C23 | H13 | H14 | 144.9° | 145.7° |
| C2 | C1 | O12 | H12 | 180.0° | 179.9° |
| O12 | C1 | C2 | H1 | 0.1° | 5.8° |
| H2 | C5 | C4 | H15 | 180.0° | 173.6° |
| H3 | C6 | C24 | H10 | 4.0° | 0.0° |
| H3 | C6 | C24 | H11 | 145.2° | 145.0° |
| H3 | C6 | C23 | H13 | 3.9° | 145.0° |
| H3 | C6 | C23 | H14 | 145.1° | 0.0° |
| H4 | C13 | H5 | H6 | 120.0° | 120.1° |
| H7 | C15 | H8 | H9 | 120.0° | 120.1° |
| H10 | C24 | C23 | H13 | 0.0° | 145.0° |
| H10 | C24 | C23 | H14 | 141.2° | 0.0° |
| H11 | C24 | C23 | H13 | 141.2° | 0.1° |
| H11 | C24 | C23 | H14 | 0.0° | 144.9° |
| H17 | C14 | H18 | H19 | 120.0° | 120.0° |
