A6M
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL1 | C18 | sing | 1.74Å | 1.80Å | |
| C18 | C17 | sing | 1.38Å | 1.36Å | Aromatic |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C17 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.42Å | Aromatic |
| C20 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C15 | C14 | sing | 1.51Å | 1.49Å | |
| C14 | C | sing | 1.53Å | 1.57Å | |
| C | N | sing | 1.47Å | 1.45Å | |
| C | C1 | sing | 1.53Å | 1.57Å | |
| C1 | C2 | sing | 1.51Å | 1.50Å | |
| C2 | O | doub | 1.21Å | 1.29Å | |
| C2 | N1 | sing | 1.35Å | 1.38Å | |
| N1 | C7 | sing | 1.47Å | 1.49Å | |
| N1 | C3 | sing | 1.48Å | 1.48Å | |
| C7 | C6 | sing | 1.54Å | 1.58Å | |
| C6 | C4 | sing | 1.55Å | 1.53Å | |
| C6 | C8 | sing | 1.51Å | 1.51Å | |
| C4 | C5 | sing | 1.53Å | 1.51Å | |
| C4 | C3 | sing | 1.55Å | 1.54Å | |
| C5 | O1 | sing | 1.43Å | 1.43Å | |
| C8 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.43Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C11 | CL | sing | 1.74Å | 1.78Å | |
| C11 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.41Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C | H | sing | 1.09Å | 1.10Å | |
| N | HN1 | sing | 1.01Å | 1.00Å | |
| N | HN2 | sing | 1.01Å | 1.00Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C7 | H71C | sing | 1.09Å | 1.10Å | |
| C7 | H72C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H51C | sing | 1.09Å | 1.10Å | |
| C5 | H52C | sing | 1.09Å | 1.10Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| CL1 | C18 | C17 | 114.9° | 120.0° |
| CL1 | C18 | C19 | 120.1° | 120.0° |
| C17 | C18 | C19 | 124.9° | 120.0° |
| C18 | C17 | C16 | 115.5° | 120.0° |
| C18 | C17 | H17 | 122.2° | 120.0° |
| C18 | C19 | C20 | 118.7° | 120.0° |
| C18 | C19 | H19 | 120.7° | 120.0° |
| C17 | C16 | C15 | 122.1° | 120.0° |
| C16 | C17 | H17 | 122.3° | 120.0° |
| C17 | C16 | H16 | 118.9° | 120.0° |
| C16 | C15 | C20 | 122.9° | 120.0° |
| C16 | C15 | C14 | 121.3° | 120.0° |
| C15 | C16 | H16 | 119.0° | 119.9° |
| C19 | C20 | C15 | 115.8° | 120.0° |
| C20 | C19 | H19 | 120.6° | 120.0° |
| C19 | C20 | H20 | 122.1° | 120.0° |
| C20 | C15 | C14 | 115.9° | 120.0° |
| C15 | C20 | H20 | 122.1° | 119.9° |
| C15 | C14 | C | 108.5° | 109.5° |
| C15 | C14 | H141 | 109.7° | 109.5° |
| C15 | C14 | H142 | 109.7° | 109.5° |
| C14 | C | N | 107.9° | 109.4° |
| C14 | C | C1 | 115.4° | 109.5° |
| C | C14 | H141 | 109.7° | 109.5° |
| C | C14 | H142 | 109.7° | 109.4° |
| C14 | C | H | 108.5° | 109.4° |
| N | C | C1 | 106.0° | 109.5° |
| N | C | H | 110.2° | 109.5° |
| C | N | HN1 | 109.5° | 111.0° |
| C | N | HN2 | 109.5° | 111.0° |
| C | C1 | C2 | 105.2° | 109.5° |
| C1 | C | H | 108.6° | 109.5° |
| C | C1 | H11C | 110.5° | 109.5° |
| C | C1 | H12C | 110.6° | 109.5° |
| C1 | C2 | O | 124.8° | 120.0° |
| C1 | C2 | N1 | 118.4° | 120.0° |
| C2 | C1 | H11C | 110.5° | 109.4° |
| C2 | C1 | H12C | 110.5° | 109.5° |
| O | C2 | N1 | 115.9° | 120.0° |
| C2 | N1 | C7 | 118.7° | 127.0° |
| C2 | N1 | C3 | 125.3° | 127.0° |
| C7 | N1 | C3 | 114.8° | 105.9° |
| N1 | C7 | C6 | 100.3° | 107.0° |
| N1 | C7 | H71C | 111.7° | 109.9° |
| N1 | C7 | H72C | 111.7° | 110.0° |
| N1 | C3 | C4 | 97.6° | 103.3° |
| N1 | C3 | H31C | 112.4° | 110.6° |
| N1 | C3 | H32C | 112.4° | 110.6° |
| C7 | C6 | C4 | 99.8° | 105.1° |
| C7 | C6 | C8 | 109.7° | 110.5° |
| C6 | C7 | H71C | 111.7° | 110.0° |
| C6 | C7 | H72C | 111.7° | 109.9° |
| C7 | C6 | H6 | 109.6° | 110.2° |
| C4 | C6 | C8 | 116.2° | 110.3° |
| C6 | C4 | C5 | 111.7° | 110.7° |
| C6 | C4 | C3 | 103.7° | 102.9° |
| C4 | C6 | H6 | 110.4° | 110.3° |
| C6 | C4 | H4 | 110.4° | 110.9° |
| C6 | C8 | C13 | 117.3° | 120.0° |
| C6 | C8 | C9 | 122.4° | 120.0° |
| C8 | C6 | H6 | 110.6° | 110.3° |
| C5 | C4 | C3 | 110.1° | 110.8° |
| C4 | C5 | O1 | 108.6° | 109.4° |
| C5 | C4 | H4 | 110.6° | 110.7° |
| C4 | C5 | H51C | 109.7° | 109.5° |
| C4 | C5 | H52C | 109.7° | 109.5° |
| C4 | C3 | H31C | 112.3° | 110.7° |
| C4 | C3 | H32C | 112.3° | 110.8° |
| C3 | C4 | H4 | 110.3° | 110.7° |
| O1 | C5 | H51C | 109.7° | 109.4° |
| O1 | C5 | H52C | 109.7° | 109.5° |
| C5 | O1 | H1 | 109.5° | 114.0° |
| C13 | C8 | C9 | 120.2° | 120.0° |
| C8 | C13 | C12 | 122.5° | 120.0° |
| C8 | C13 | H13 | 118.7° | 120.0° |
| C8 | C9 | C10 | 115.9° | 120.1° |
| C8 | C9 | H9 | 122.1° | 119.9° |
| C13 | C12 | C11 | 118.7° | 120.0° |
| C12 | C13 | H13 | 118.7° | 120.0° |
| C13 | C12 | H12 | 120.7° | 120.0° |
| C12 | C11 | CL | 116.7° | 120.1° |
| C12 | C11 | C10 | 119.6° | 120.0° |
| C11 | C12 | H12 | 120.7° | 119.9° |
| CL | C11 | C10 | 123.7° | 120.0° |
| C11 | C10 | C9 | 123.0° | 119.9° |
| C11 | C10 | H10 | 118.5° | 120.1° |
| C10 | C9 | H9 | 122.0° | 120.0° |
| C9 | C10 | H10 | 118.5° | 120.0° |
| H141 | C14 | H142 | 109.5° | 109.4° |
| HN1 | N | HN2 | 109.5° | 111.0° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H71C | C7 | H72C | 109.5° | 110.0° |
| H31C | C3 | H32C | 109.5° | 110.6° |
| H51C | C5 | H52C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL1 | C18 | C17 | C19 | 177.8° | 179.8° |
| CL1 | C18 | C17 | C16 | 176.0° | 179.9° |
| CL1 | C18 | C19 | C20 | 175.3° | 179.9° |
| CL1 | C18 | C17 | H17 | 4.0° | 0.0° |
| CL1 | C18 | C19 | H19 | 4.7° | 0.1° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 0.3° | 0.1° |
| C17 | C18 | C19 | C20 | 2.5° | 0.3° |
| C17 | C18 | C19 | H19 | 177.6° | 179.7° |
| C18 | C17 | C16 | H16 | 179.7° | 180.0° |
| C19 | C18 | C17 | C16 | 1.9° | 0.3° |
| C18 | C19 | C20 | H19 | 180.0° | 179.9° |
| C18 | C19 | C20 | C15 | 0.8° | 0.1° |
| C19 | C18 | C17 | H17 | 178.1° | 179.8° |
| C18 | C19 | C20 | H20 | 179.2° | 179.9° |
| C17 | C16 | C15 | H16 | 180.0° | 179.9° |
| C17 | C16 | C15 | C20 | 1.8° | 0.2° |
| C17 | C16 | C15 | C14 | 177.1° | 180.0° |
| C16 | C15 | C20 | C19 | 1.2° | 0.2° |
| C16 | C15 | C20 | C14 | 179.0° | 179.8° |
| C16 | C15 | C14 | C | 109.5° | 90.0° |
| C15 | C16 | C17 | H17 | 179.7° | 180.0° |
| C16 | C15 | C20 | H20 | 178.8° | 179.7° |
| C16 | C15 | C14 | H141 | 130.6° | 149.9° |
| C16 | C15 | C14 | H142 | 10.3° | 29.9° |
| C19 | C20 | C15 | H20 | 180.0° | 179.9° |
| C19 | C20 | C15 | C14 | 177.8° | 180.0° |
| C20 | C15 | C14 | C | 69.5° | 89.8° |
| C15 | C20 | C19 | H19 | 179.2° | 179.9° |
| C20 | C15 | C16 | H16 | 178.2° | 179.8° |
| C20 | C15 | C14 | H141 | 50.4° | 30.2° |
| C20 | C15 | C14 | H142 | 170.7° | 150.2° |
| C15 | C14 | C | H141 | 119.9° | 120.1° |
| C15 | C14 | C | H142 | 119.9° | 120.0° |
| C15 | C14 | C | N | 175.9° | 65.0° |
| C15 | C14 | C | C1 | 65.7° | 175.0° |
| C14 | C15 | C16 | H16 | 2.9° | 0.1° |
| C14 | C15 | C20 | H20 | 2.2° | 0.1° |
| C15 | C14 | H141 | H142 | 120.4° | 120.0° |
| C15 | C14 | C | H | 56.5° | 55.0° |
| C14 | C | N | C1 | 124.3° | 120.0° |
| C14 | C | N | H | 118.4° | 119.9° |
| C14 | C | C1 | H | 122.1° | 120.0° |
| C14 | C | C1 | C2 | 86.3° | 175.0° |
| C | C14 | H141 | H142 | 120.4° | 119.9° |
| C14 | C | N | HN1 | 180.0° | 60.0° |
| C14 | C | N | HN2 | 60.0° | 176.0° |
| C14 | C | C1 | H11C | 154.3° | 65.0° |
| C14 | C | C1 | H12C | 33.0° | 55.0° |
| N | C | C1 | H | 118.4° | 120.0° |
| N | C | C1 | C2 | 154.2° | 65.0° |
| N | C | C14 | H141 | 56.0° | 55.1° |
| N | C | C14 | H142 | 64.2° | 175.0° |
| C | N | HN1 | HN2 | 120.0° | 123.9° |
| N | C | C1 | H11C | 34.9° | 55.0° |
| N | C | C1 | H12C | 86.5° | 175.0° |
| C | C1 | C2 | H11C | 119.3° | 120.0° |
| C | C1 | C2 | H12C | 119.3° | 120.0° |
| C | C1 | C2 | O | 26.8° | 0.1° |
| C | C1 | C2 | N1 | 142.2° | 179.9° |
| C1 | C | C14 | H141 | 174.4° | 65.0° |
| C1 | C | C14 | H142 | 54.2° | 55.0° |
| C1 | C | N | HN1 | 55.7° | 60.0° |
| C1 | C | N | HN2 | 175.8° | 64.0° |
| C | C1 | H11C | H12C | 122.0° | 120.0° |
| C1 | C2 | O | N1 | 169.3° | 179.9° |
| C1 | C2 | N1 | C7 | 173.3° | 180.0° |
| C1 | C2 | N1 | C3 | 6.4° | 0.2° |
| C2 | C1 | C | H | 35.8° | 55.1° |
| C2 | C1 | H11C | H12C | 122.0° | 120.0° |
| O | C2 | N1 | C7 | 3.2° | 0.1° |
| O | C2 | N1 | C3 | 163.6° | 179.7° |
| O | C2 | C1 | H11C | 92.5° | 120.0° |
| O | C2 | C1 | H12C | 146.2° | 120.0° |
| C2 | N1 | C7 | C3 | 168.2° | 179.9° |
| C2 | N1 | C7 | C6 | 160.5° | 154.4° |
| C2 | N1 | C3 | C4 | 171.4° | 140.7° |
| N1 | C2 | C1 | H11C | 98.4° | 60.1° |
| N1 | C2 | C1 | H12C | 22.9° | 59.9° |
| C2 | N1 | C7 | H71C | 42.0° | 86.2° |
| C2 | N1 | C7 | H72C | 81.0° | 35.1° |
| C2 | N1 | C3 | H31C | 53.4° | 22.2° |
| C2 | N1 | C3 | H32C | 70.6° | 100.7° |
| N1 | C7 | C6 | H71C | 118.5° | 119.3° |
| N1 | C7 | C6 | H72C | 118.5° | 119.4° |
| N1 | C7 | C6 | C4 | 33.5° | 1.6° |
| N1 | C7 | C6 | C8 | 156.0° | 117.4° |
| C7 | N1 | C3 | C4 | 21.3° | 39.5° |
| N1 | C7 | H71C | H72C | 124.3° | 121.3° |
| C7 | N1 | C3 | H31C | 139.3° | 158.0° |
| C7 | N1 | C3 | H32C | 96.7° | 79.1° |
| N1 | C7 | C6 | H6 | 82.4° | 120.4° |
| C3 | N1 | C7 | C6 | 7.7° | 25.7° |
| N1 | C3 | C4 | C6 | 42.9° | 37.3° |
| N1 | C3 | C4 | C5 | 162.4° | 155.7° |
| N1 | C3 | C4 | H31C | 118.0° | 118.5° |
| N1 | C3 | C4 | H32C | 118.0° | 118.4° |
| C3 | N1 | C7 | H71C | 126.2° | 93.7° |
| C3 | N1 | C7 | H72C | 110.8° | 145.0° |
| N1 | C3 | H31C | H32C | 125.6° | 122.9° |
| N1 | C3 | C4 | H4 | 75.2° | 81.2° |
| C7 | C6 | C4 | C8 | 117.8° | 119.1° |
| C7 | C6 | C4 | H6 | 115.3° | 118.8° |
| C7 | C6 | C8 | H6 | 121.0° | 122.1° |
| C7 | C6 | C4 | C5 | 167.5° | 140.0° |
| C7 | C6 | C4 | C3 | 49.1° | 21.6° |
| C7 | C6 | C8 | C13 | 99.4° | 124.2° |
| C7 | C6 | C8 | C9 | 80.6° | 55.4° |
| C6 | C7 | H71C | H72C | 124.3° | 121.2° |
| C7 | C6 | C4 | H4 | 69.0° | 96.7° |
| C4 | C6 | C8 | H6 | 126.8° | 122.1° |
| C6 | C4 | C5 | C3 | 114.6° | 113.4° |
| C6 | C4 | C5 | H4 | 123.3° | 123.4° |
| C6 | C4 | C3 | H4 | 118.1° | 118.5° |
| C6 | C4 | C5 | O1 | 178.5° | 179.8° |
| C4 | C6 | C8 | C13 | 148.4° | 120.0° |
| C4 | C6 | C8 | C9 | 31.6° | 60.3° |
| C4 | C6 | C7 | H71C | 152.0° | 117.8° |
| C4 | C6 | C7 | H72C | 85.0° | 121.0° |
| C6 | C4 | C3 | H31C | 160.9° | 155.8° |
| C6 | C4 | C3 | H32C | 75.2° | 81.1° |
| C6 | C4 | C5 | H51C | 61.6° | 59.9° |
| C6 | C4 | C5 | H52C | 58.7° | 60.2° |
| C8 | C6 | C4 | C5 | 74.7° | 100.9° |
| C8 | C6 | C4 | C3 | 166.8° | 140.8° |
| C6 | C8 | C13 | C9 | 180.0° | 179.7° |
| C6 | C8 | C13 | C12 | 179.6° | 180.0° |
| C6 | C8 | C9 | C10 | 178.5° | 179.7° |
| C8 | C6 | C7 | H71C | 85.5° | 123.2° |
| C8 | C6 | C7 | H72C | 37.5° | 2.0° |
| C8 | C6 | C4 | H4 | 48.8° | 22.4° |
| C6 | C8 | C13 | H13 | 0.4° | 0.1° |
| C6 | C8 | C9 | H9 | 1.5° | 0.1° |
| C5 | C4 | C3 | H4 | 122.3° | 123.1° |
| C4 | C5 | O1 | H51C | 119.8° | 119.9° |
| C4 | C5 | O1 | H52C | 119.9° | 120.0° |
| C5 | C4 | C3 | H31C | 79.5° | 85.9° |
| C5 | C4 | C3 | H32C | 44.4° | 37.2° |
| C5 | C4 | C6 | H6 | 52.2° | 21.2° |
| C4 | C5 | H51C | H52C | 120.4° | 120.1° |
| C4 | C5 | O1 | H1 | 180.0° | 179.9° |
| C3 | C4 | C5 | O1 | 66.9° | 66.4° |
| C4 | C3 | H31C | H32C | 125.5° | 123.2° |
| C3 | C4 | C6 | H6 | 66.3° | 97.1° |
| C3 | C4 | C5 | H51C | 52.9° | 53.5° |
| C3 | C4 | C5 | H52C | 173.2° | 173.6° |
| O1 | C5 | C4 | H4 | 55.2° | 56.8° |
| O1 | C5 | H51C | H52C | 120.4° | 120.0° |
| C8 | C13 | C12 | H13 | 180.0° | 179.9° |
| C8 | C13 | C12 | C11 | 0.7° | 0.0° |
| C13 | C8 | C9 | C10 | 1.5° | 0.6° |
| C13 | C8 | C6 | H6 | 21.6° | 2.1° |
| C13 | C8 | C9 | H9 | 178.5° | 179.7° |
| C8 | C13 | C12 | H12 | 179.3° | 179.9° |
| C9 | C8 | C13 | C12 | 0.4° | 0.3° |
| C8 | C9 | C10 | C11 | 1.5° | 0.6° |
| C8 | C9 | C10 | H9 | 180.0° | 179.7° |
| C9 | C8 | C6 | H6 | 158.4° | 177.5° |
| C9 | C8 | C13 | H13 | 179.6° | 179.7° |
| C8 | C9 | C10 | H10 | 178.5° | 179.8° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | CL | 179.5° | 180.0° |
| C13 | C12 | C11 | C10 | 0.8° | 0.0° |
| C12 | C11 | CL | C10 | 179.7° | 180.0° |
| C12 | C11 | C10 | C9 | 0.3° | 0.3° |
| C11 | C12 | C13 | H13 | 179.3° | 180.0° |
| C12 | C11 | C10 | H10 | 179.6° | 180.0° |
| CL | C11 | C10 | C9 | 179.4° | 179.7° |
| CL | C11 | C12 | H12 | 0.5° | 0.1° |
| CL | C11 | C10 | H10 | 0.6° | 0.0° |
| C11 | C10 | C9 | H10 | 180.0° | 179.7° |
| C11 | C10 | C9 | H9 | 178.5° | 179.8° |
| C10 | C11 | C12 | H12 | 179.2° | 180.0° |
| H17 | C17 | C16 | H16 | 0.3° | 0.1° |
| H19 | C19 | C20 | H20 | 0.8° | 0.0° |
| H141 | C14 | C | H | 63.4° | 175.0° |
| H142 | C14 | C | H | 176.3° | 65.0° |
| H | C | N | HN1 | 61.6° | 180.0° |
| H | C | N | HN2 | 58.4° | 56.1° |
| H | C | C1 | H11C | 83.5° | 175.0° |
| H | C | C1 | H12C | 155.1° | 65.0° |
| H71C | C7 | C6 | H6 | 36.1° | 1.1° |
| H72C | C7 | C6 | H6 | 159.1° | 120.2° |
| H31C | C3 | C4 | H4 | 42.8° | 37.3° |
| H32C | C3 | C4 | H4 | 166.7° | 160.4° |
| H6 | C6 | C4 | H4 | 175.7° | 144.5° |
| H4 | C4 | C5 | H51C | 175.0° | 176.7° |
| H4 | C4 | C5 | H52C | 64.7° | 63.2° |
| H51C | C5 | O1 | H1 | 60.1° | 60.1° |
| H52C | C5 | O1 | H1 | 60.1° | 59.9° |
| H13 | C13 | C12 | H12 | 0.7° | 0.0° |
| H9 | C9 | C10 | H10 | 1.5° | 0.1° |
