A1H6M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | sing | 1.51Å | 1.50Å | |
| C21 | C19 | sing | 1.50Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C19 | C4 | doub | 1.32Å | 1.34Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C11 | C10 | doub | 1.37Å | 1.36Å | |
| C11 | C12 | sing | 1.40Å | 1.42Å | |
| C16 | C12 | doub | 1.38Å | 1.35Å | |
| C16 | C17 | sing | 1.40Å | 1.44Å | |
| C4 | C5 | sing | 1.42Å | 1.39Å | |
| C4 | C2 | sing | 1.50Å | 1.51Å | |
| C9 | C10 | sing | 1.40Å | 1.45Å | |
| C9 | C7 | doub | 1.37Å | 1.35Å | |
| C6 | C5 | doub | 1.36Å | 1.33Å | |
| C6 | C7 | sing | 1.41Å | 1.45Å | |
| C10 | C15 | sing | 1.51Å | 1.50Å | |
| C12 | C13 | sing | 1.51Å | 1.50Å | |
| C23 | C2 | sing | 1.53Å | 1.52Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C7 | C8 | sing | 1.51Å | 1.50Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C13 | C14 | sing | 1.53Å | 1.51Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C14 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C15 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.08Å | 1.08Å | |
| C20 | H8 | sing | 1.09Å | 1.10Å | |
| C20 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.09Å | 1.10Å | |
| C21 | H11 | sing | 1.09Å | 1.10Å | |
| C21 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C23 | H15 | sing | 1.09Å | 1.10Å | |
| C23 | H16 | sing | 1.09Å | 1.10Å | |
| C1 | H17 | sing | 1.09Å | 1.10Å | |
| C1 | H18 | sing | 1.09Å | 1.10Å | |
| C1 | H19 | sing | 1.09Å | 1.10Å | |
| C11 | H20 | sing | 1.08Å | 1.08Å | |
| C13 | H21 | sing | 1.09Å | 1.10Å | |
| C13 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.08Å | 1.08Å | |
| C17 | O1 | doub | 1.22Å | 1.07Å | |
| C3 | H26 | sing | 1.09Å | 1.10Å | |
| C3 | H27 | sing | 1.09Å | 1.10Å | |
| C3 | H28 | sing | 1.09Å | 1.10Å | |
| C5 | H29 | sing | 1.08Å | 1.08Å | |
| C6 | H30 | sing | 1.08Å | 1.08Å | |
| C8 | H31 | sing | 1.09Å | 1.10Å | |
| C8 | H32 | sing | 1.09Å | 1.10Å | |
| C8 | H33 | sing | 1.09Å | 1.10Å | |
| C9 | H34 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C20 | C19 | C21 | 113.8° | 118.1° |
| C20 | C19 | C4 | 124.5° | 118.2° |
| C19 | C20 | H8 | 109.5° | 109.5° |
| C19 | C20 | H9 | 109.5° | 109.5° |
| C19 | C20 | H10 | 109.5° | 109.5° |
| C19 | C21 | C22 | 114.4° | 110.1° |
| C21 | C19 | C4 | 121.7° | 123.7° |
| C19 | C21 | H11 | 108.2° | 109.4° |
| C19 | C21 | H12 | 108.2° | 109.3° |
| C21 | C22 | C23 | 110.2° | 108.5° |
| C22 | C21 | H11 | 108.3° | 109.4° |
| C22 | C21 | H12 | 108.2° | 109.3° |
| C21 | C22 | H13 | 109.3° | 109.6° |
| C21 | C22 | H14 | 109.3° | 109.6° |
| C19 | C4 | C5 | 123.7° | 118.1° |
| C19 | C4 | C2 | 122.5° | 123.7° |
| C22 | C23 | C2 | 107.4° | 108.5° |
| C23 | C22 | H13 | 109.3° | 109.6° |
| C23 | C22 | H14 | 109.3° | 109.6° |
| C22 | C23 | H15 | 110.0° | 109.6° |
| C22 | C23 | H16 | 110.0° | 109.6° |
| C10 | C11 | C12 | 122.8° | 121.5° |
| C11 | C10 | C9 | 119.8° | 119.6° |
| C11 | C10 | C15 | 119.0° | 120.9° |
| C10 | C11 | H20 | 118.6° | 119.3° |
| C11 | C12 | C16 | 125.2° | 119.7° |
| C11 | C12 | C13 | 112.8° | 120.6° |
| C12 | C11 | H20 | 118.6° | 119.2° |
| C12 | C16 | C17 | 122.2° | 120.0° |
| C16 | C12 | C13 | 121.7° | 119.7° |
| C12 | C16 | H6 | 118.9° | 120.0° |
| C17 | C16 | H6 | 118.9° | 120.0° |
| C16 | C17 | H23 | 125.4° | 120.0° |
| C16 | C17 | O1 | 109.2° | 120.0° |
| C5 | C4 | C2 | 113.8° | 118.2° |
| C4 | C5 | C6 | 127.2° | 120.0° |
| C4 | C5 | H29 | 116.4° | 120.0° |
| C4 | C2 | C23 | 107.9° | 110.1° |
| C4 | C2 | C3 | 110.2° | 109.2° |
| C4 | C2 | C1 | 109.7° | 109.4° |
| C10 | C9 | C7 | 130.1° | 120.0° |
| C9 | C10 | C15 | 120.8° | 119.6° |
| C10 | C9 | H34 | 114.9° | 120.0° |
| C9 | C7 | C6 | 119.9° | 120.0° |
| C9 | C7 | C8 | 123.0° | 120.0° |
| C7 | C9 | H34 | 114.9° | 120.0° |
| C5 | C6 | C7 | 125.3° | 120.0° |
| C6 | C5 | H29 | 116.4° | 120.0° |
| C5 | C6 | H30 | 117.3° | 120.0° |
| C6 | C7 | C8 | 117.1° | 120.0° |
| C7 | C6 | H30 | 117.3° | 120.0° |
| C10 | C15 | C14 | 111.8° | 109.4° |
| C10 | C15 | H4 | 108.9° | 109.5° |
| C10 | C15 | H5 | 108.9° | 109.4° |
| C12 | C13 | C14 | 110.4° | 109.2° |
| C12 | C13 | H21 | 109.3° | 109.5° |
| C12 | C13 | H22 | 109.2° | 109.5° |
| C23 | C2 | C3 | 106.1° | 109.3° |
| C23 | C2 | C1 | 113.2° | 109.4° |
| C2 | C23 | H15 | 110.0° | 109.6° |
| C2 | C23 | H16 | 110.0° | 109.6° |
| C3 | C2 | C1 | 109.7° | 109.4° |
| C2 | C3 | H26 | 109.5° | 109.4° |
| C2 | C3 | H27 | 109.5° | 109.5° |
| C2 | C3 | H28 | 109.5° | 109.5° |
| C7 | C8 | H31 | 109.5° | 109.4° |
| C7 | C8 | H32 | 109.5° | 109.5° |
| C7 | C8 | H33 | 109.5° | 109.5° |
| C2 | C1 | H17 | 109.5° | 109.4° |
| C2 | C1 | H18 | 109.5° | 109.5° |
| C2 | C1 | H19 | 109.5° | 109.4° |
| C15 | C14 | C13 | 109.8° | 108.9° |
| C15 | C14 | H2 | 109.4° | 109.5° |
| C15 | C14 | H3 | 109.4° | 109.6° |
| C14 | C15 | H4 | 108.9° | 109.5° |
| C14 | C15 | H5 | 108.9° | 109.5° |
| C13 | C14 | H2 | 109.4° | 109.6° |
| C13 | C14 | H3 | 109.4° | 109.7° |
| C14 | C13 | H21 | 109.2° | 109.5° |
| C14 | C13 | H22 | 109.2° | 109.5° |
| H2 | C14 | H3 | 109.4° | 109.6° |
| H4 | C15 | H5 | 109.5° | 109.5° |
| H8 | C20 | H9 | 109.5° | 109.5° |
| H8 | C20 | H10 | 109.4° | 109.5° |
| H9 | C20 | H10 | 109.5° | 109.4° |
| H11 | C21 | H12 | 109.5° | 109.3° |
| H13 | C22 | H14 | 109.5° | 109.8° |
| H15 | C23 | H16 | 109.5° | 109.8° |
| H17 | C1 | H18 | 109.4° | 109.5° |
| H17 | C1 | H19 | 109.4° | 109.5° |
| H18 | C1 | H19 | 109.4° | 109.5° |
| H21 | C13 | H22 | 109.5° | 109.6° |
| H23 | C17 | O1 | 125.4° | 120.0° |
| H26 | C3 | H27 | 109.4° | 109.5° |
| H26 | C3 | H28 | 109.5° | 109.5° |
| H27 | C3 | H28 | 109.5° | 109.5° |
| H31 | C8 | H32 | 109.5° | 109.5° |
| H31 | C8 | H33 | 109.4° | 109.4° |
| H32 | C8 | H33 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C20 | C19 | C21 | C4 | 179.6° | 179.8° |
| C20 | C19 | C21 | C22 | 178.5° | 162.5° |
| C20 | C19 | C4 | C5 | 1.9° | 0.4° |
| C20 | C19 | C4 | C2 | 179.7° | 179.3° |
| C19 | C20 | H8 | H9 | 120.0° | 120.0° |
| C19 | C20 | H8 | H10 | 120.0° | 120.0° |
| C19 | C20 | H9 | H10 | 120.0° | 120.0° |
| C20 | C19 | C21 | H11 | 57.8° | 77.3° |
| C20 | C19 | C21 | H12 | 60.8° | 42.4° |
| C19 | C21 | C22 | H11 | 120.7° | 120.2° |
| C19 | C21 | C22 | H12 | 120.7° | 120.2° |
| C19 | C21 | C22 | C23 | 34.4° | 49.8° |
| C21 | C19 | C4 | C5 | 178.6° | 179.9° |
| C21 | C19 | C4 | C2 | 0.2° | 0.5° |
| C21 | C19 | C20 | H8 | 180.0° | 89.2° |
| C21 | C19 | C20 | H9 | 60.0° | 30.8° |
| C21 | C19 | C20 | H10 | 60.0° | 150.7° |
| C19 | C21 | H11 | H12 | 117.8° | 119.7° |
| C19 | C21 | C22 | H13 | 85.7° | 169.5° |
| C19 | C21 | C22 | H14 | 154.5° | 69.8° |
| C22 | C21 | C19 | C4 | 1.9° | 17.2° |
| C21 | C22 | C23 | H13 | 120.1° | 119.7° |
| C21 | C22 | C23 | H14 | 120.1° | 119.7° |
| C21 | C22 | C23 | C2 | 65.1° | 68.2° |
| C22 | C21 | H11 | H12 | 117.8° | 119.7° |
| C21 | C22 | H13 | H14 | 119.7° | 120.5° |
| C21 | C22 | C23 | H15 | 175.2° | 51.5° |
| C21 | C22 | C23 | H16 | 54.6° | 172.1° |
| C19 | C4 | C5 | C2 | 178.6° | 179.7° |
| C19 | C4 | C5 | C6 | 68.2° | 56.4° |
| C19 | C4 | C2 | C23 | 30.4° | 17.2° |
| C19 | C4 | C2 | C3 | 85.0° | 137.3° |
| C19 | C4 | C2 | C1 | 154.2° | 103.0° |
| C4 | C19 | C20 | H8 | 0.5° | 90.5° |
| C4 | C19 | C20 | H9 | 119.6° | 149.5° |
| C4 | C19 | C20 | H10 | 120.4° | 29.5° |
| C4 | C19 | C21 | H11 | 122.6° | 103.0° |
| C4 | C19 | C21 | H12 | 118.8° | 137.4° |
| C19 | C4 | C5 | H29 | 111.7° | 123.6° |
| C22 | C23 | C2 | C4 | 61.6° | 49.9° |
| C22 | C23 | C2 | H15 | 119.7° | 119.7° |
| C22 | C23 | C2 | H16 | 119.7° | 119.7° |
| C22 | C23 | C2 | C3 | 56.5° | 169.9° |
| C22 | C23 | C2 | C1 | 176.8° | 70.3° |
| C23 | C22 | C21 | H11 | 155.1° | 70.3° |
| C23 | C22 | C21 | H12 | 86.3° | 170.0° |
| C23 | C22 | H13 | H14 | 119.7° | 120.5° |
| C22 | C23 | H15 | H16 | 121.0° | 120.5° |
| C10 | C11 | C12 | H20 | 180.0° | 180.0° |
| C10 | C11 | C12 | C16 | 164.0° | 180.0° |
| C11 | C10 | C9 | C15 | 173.0° | 179.8° |
| C11 | C10 | C9 | C7 | 163.9° | 56.8° |
| C10 | C11 | C12 | C13 | 9.3° | 0.0° |
| C11 | C10 | C15 | C14 | 5.2° | 29.6° |
| C11 | C10 | C15 | H4 | 125.5° | 149.5° |
| C11 | C10 | C15 | H5 | 115.1° | 90.4° |
| C11 | C10 | C9 | H34 | 16.1° | 123.3° |
| C11 | C12 | C16 | C13 | 172.8° | 180.0° |
| C11 | C12 | C16 | C17 | 168.2° | 180.0° |
| C12 | C11 | C10 | C9 | 140.2° | 179.9° |
| C12 | C11 | C10 | C15 | 32.9° | 0.1° |
| C11 | C12 | C13 | C14 | 38.6° | 29.3° |
| C11 | C12 | C16 | H6 | 11.8° | 0.0° |
| C11 | C12 | C13 | H21 | 158.8° | 90.6° |
| C11 | C12 | C13 | H22 | 81.5° | 149.2° |
| C12 | C16 | C17 | H6 | 180.0° | 179.9° |
| C16 | C12 | C13 | C14 | 147.7° | 150.7° |
| C16 | C12 | C11 | H20 | 16.0° | 0.0° |
| C16 | C12 | C13 | H21 | 27.6° | 89.4° |
| C16 | C12 | C13 | H22 | 92.2° | 30.8° |
| C12 | C16 | C17 | H23 | 130.2° | 0.1° |
| C12 | C16 | C17 | O1 | 49.8° | 180.0° |
| C17 | C16 | C12 | C13 | 4.7° | 0.0° |
| C16 | C17 | H23 | O1 | 180.0° | 179.9° |
| C4 | C5 | C6 | H29 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 171.0° | 176.7° |
| C5 | C4 | C2 | C23 | 151.0° | 163.1° |
| C5 | C4 | C2 | C3 | 93.6° | 43.0° |
| C5 | C4 | C2 | C1 | 27.3° | 76.7° |
| C4 | C5 | C6 | H30 | 9.0° | 3.2° |
| C2 | C4 | C5 | C6 | 110.3° | 123.3° |
| C4 | C2 | C23 | C3 | 118.1° | 120.0° |
| C4 | C2 | C23 | C1 | 121.6° | 120.2° |
| C4 | C2 | C3 | C1 | 120.8° | 119.6° |
| C4 | C2 | C23 | H15 | 178.7° | 69.8° |
| C4 | C2 | C23 | H16 | 58.1° | 169.6° |
| C4 | C2 | C1 | H17 | 180.0° | 60.7° |
| C4 | C2 | C1 | H18 | 60.0° | 59.3° |
| C4 | C2 | C1 | H19 | 60.0° | 179.3° |
| C4 | C2 | C3 | H26 | 180.0° | 175.8° |
| C4 | C2 | C3 | H27 | 60.0° | 55.8° |
| C4 | C2 | C3 | H28 | 60.0° | 64.2° |
| C2 | C4 | C5 | H29 | 69.7° | 56.7° |
| C10 | C9 | C7 | H34 | 180.0° | 180.0° |
| C10 | C9 | C7 | C6 | 165.6° | 174.3° |
| C10 | C9 | C7 | C8 | 12.5° | 5.7° |
| C9 | C10 | C15 | C14 | 167.9° | 150.7° |
| C9 | C10 | C15 | H4 | 47.5° | 30.7° |
| C9 | C10 | C15 | H5 | 71.8° | 89.4° |
| C9 | C10 | C11 | H20 | 39.8° | 0.1° |
| C9 | C7 | C6 | C5 | 162.8° | 180.0° |
| C9 | C7 | C6 | C8 | 178.3° | 180.0° |
| C7 | C9 | C10 | C15 | 9.1° | 123.0° |
| C9 | C7 | C6 | H30 | 17.2° | 0.1° |
| C9 | C7 | C8 | H31 | 180.0° | 88.6° |
| C9 | C7 | C8 | H32 | 60.0° | 31.3° |
| C9 | C7 | C8 | H33 | 60.0° | 151.4° |
| C5 | C6 | C7 | H30 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 15.4° | 0.1° |
| C7 | C6 | C5 | H29 | 9.0° | 3.3° |
| C6 | C7 | C8 | H31 | 1.8° | 91.4° |
| C6 | C7 | C8 | H32 | 118.2° | 148.6° |
| C6 | C7 | C8 | H33 | 121.8° | 28.6° |
| C6 | C7 | C9 | H34 | 14.3° | 5.8° |
| C10 | C15 | C14 | H4 | 120.4° | 120.0° |
| C10 | C15 | C14 | H5 | 120.4° | 119.9° |
| C10 | C15 | C14 | C13 | 40.9° | 57.6° |
| C10 | C15 | C14 | H2 | 160.9° | 62.2° |
| C10 | C15 | C14 | H3 | 79.2° | 177.6° |
| C10 | C15 | H4 | H5 | 119.0° | 120.0° |
| C15 | C10 | C11 | H20 | 147.1° | 179.9° |
| C15 | C10 | C9 | H34 | 170.9° | 57.0° |
| C12 | C13 | C14 | C15 | 63.7° | 57.4° |
| C12 | C13 | C14 | H21 | 120.2° | 119.9° |
| C12 | C13 | C14 | H22 | 120.1° | 119.9° |
| C12 | C13 | C14 | H2 | 176.2° | 62.4° |
| C12 | C13 | C14 | H3 | 56.4° | 177.3° |
| C13 | C12 | C16 | H6 | 175.3° | 180.0° |
| C13 | C12 | C11 | H20 | 170.7° | 180.0° |
| C12 | C13 | H21 | H22 | 119.6° | 120.1° |
| C23 | C2 | C3 | C1 | 122.6° | 119.8° |
| C2 | C23 | C22 | H13 | 55.0° | 172.1° |
| C2 | C23 | C22 | H14 | 174.8° | 51.4° |
| C2 | C23 | H15 | H16 | 120.9° | 120.5° |
| C23 | C2 | C1 | H17 | 59.4° | 60.0° |
| C23 | C2 | C1 | H18 | 60.6° | 180.0° |
| C23 | C2 | C1 | H19 | 179.4° | 60.0° |
| C23 | C2 | C3 | H26 | 63.5° | 63.6° |
| C23 | C2 | C3 | H27 | 176.6° | 176.4° |
| C23 | C2 | C3 | H28 | 56.6° | 56.4° |
| C3 | C2 | C23 | H15 | 63.2° | 50.2° |
| C3 | C2 | C23 | H16 | 176.2° | 70.4° |
| C3 | C2 | C1 | H17 | 58.9° | 179.7° |
| C3 | C2 | C1 | H18 | 178.9° | 60.2° |
| C3 | C2 | C1 | H19 | 61.1° | 59.7° |
| C2 | C3 | H26 | H27 | 120.0° | 120.0° |
| C2 | C3 | H26 | H28 | 120.0° | 120.0° |
| C2 | C3 | H27 | H28 | 120.0° | 120.0° |
| C8 | C7 | C6 | H30 | 164.6° | 179.9° |
| C7 | C8 | H31 | H32 | 120.0° | 120.0° |
| C7 | C8 | H31 | H33 | 120.0° | 120.0° |
| C7 | C8 | H32 | H33 | 120.0° | 120.1° |
| C8 | C7 | C9 | H34 | 167.5° | 174.2° |
| C1 | C2 | C23 | H15 | 57.1° | 169.9° |
| C1 | C2 | C23 | H16 | 63.5° | 49.4° |
| C2 | C1 | H17 | H18 | 120.0° | 120.0° |
| C2 | C1 | H17 | H19 | 120.0° | 119.9° |
| C2 | C1 | H18 | H19 | 120.0° | 119.9° |
| C1 | C2 | C3 | H26 | 59.1° | 56.1° |
| C1 | C2 | C3 | H27 | 60.8° | 63.8° |
| C1 | C2 | C3 | H28 | 179.2° | 176.2° |
| C15 | C14 | C13 | H2 | 120.1° | 119.8° |
| C15 | C14 | C13 | H3 | 120.1° | 119.9° |
| C15 | C14 | H2 | H3 | 119.9° | 120.2° |
| C14 | C15 | H4 | H5 | 118.9° | 120.1° |
| C15 | C14 | C13 | H21 | 176.1° | 62.5° |
| C15 | C14 | C13 | H22 | 56.4° | 177.3° |
| C13 | C14 | H2 | H3 | 119.8° | 120.4° |
| C13 | C14 | C15 | H4 | 79.5° | 177.6° |
| C13 | C14 | C15 | H5 | 161.2° | 62.3° |
| C14 | C13 | H21 | H22 | 119.6° | 120.2° |
| H2 | C14 | C15 | H4 | 40.6° | 57.8° |
| H2 | C14 | C15 | H5 | 78.7° | 177.9° |
| H2 | C14 | C13 | H21 | 56.1° | 177.7° |
| H2 | C14 | C13 | H22 | 63.6° | 57.5° |
| H3 | C14 | C15 | H4 | 160.5° | 62.4° |
| H3 | C14 | C15 | H5 | 41.2° | 57.7° |
| H3 | C14 | C13 | H21 | 63.8° | 57.4° |
| H3 | C14 | C13 | H22 | 176.5° | 62.8° |
| H6 | C16 | C17 | H23 | 49.9° | 180.0° |
| H6 | C16 | C17 | O1 | 130.2° | 0.1° |
| H8 | C20 | H9 | H10 | 120.0° | 120.0° |
| H11 | C21 | C22 | H13 | 35.0° | 49.3° |
| H11 | C21 | C22 | H14 | 84.8° | 170.0° |
| H12 | C21 | C22 | H13 | 153.6° | 70.3° |
| H12 | C21 | C22 | H14 | 33.8° | 50.4° |
| H13 | C22 | C23 | H15 | 64.7° | 68.2° |
| H13 | C22 | C23 | H16 | 174.7° | 52.4° |
| H14 | C22 | C23 | H15 | 55.1° | 171.2° |
| H14 | C22 | C23 | H16 | 65.5° | 68.3° |
| H17 | C1 | H18 | H19 | 119.9° | 120.1° |
| H26 | C3 | H27 | H28 | 120.0° | 120.0° |
| H29 | C5 | C6 | H30 | 171.0° | 176.8° |
| H31 | C8 | H32 | H33 | 120.0° | 120.0° |
