A8O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N25 | C24 | trip | 1.14Å | 1.16Å | |
| C24 | C6 | sing | 1.43Å | 1.28Å | |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C1 | sing | 1.40Å | 1.36Å | Aromatic |
| C5 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.39Å | Aromatic |
| C4 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.39Å | Aromatic |
| C3 | N7 | sing | 1.40Å | 1.34Å | |
| C23 | C8 | sing | 1.51Å | 1.51Å | |
| N7 | C8 | sing | 1.35Å | 1.33Å | Aromatic |
| N7 | C11 | sing | 1.37Å | 1.34Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.50Å | Aromatic |
| C11 | C22 | sing | 1.51Å | 1.50Å | |
| C11 | C10 | doub | 1.34Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.47Å | 1.40Å | Aromatic |
| C9 | C12 | sing | 1.46Å | 1.50Å | |
| O14 | C12 | doub | 1.21Å | 1.22Å | |
| C12 | C13 | sing | 1.51Å | 1.51Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | N15 | sing | 1.47Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.52Å | |
| C13 | N15 | sing | 1.47Å | 1.46Å | |
| N15 | C16 | sing | 1.47Å | 1.46Å | |
| C18 | O21 | sing | 1.43Å | 1.43Å | |
| C18 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C13 | H1 | sing | 1.09Å | 1.10Å | |
| C13 | H2 | sing | 1.09Å | 1.10Å | |
| C17 | H3 | sing | 1.09Å | 1.10Å | |
| C17 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.08Å | 1.08Å | |
| C22 | H8 | sing | 1.09Å | 1.10Å | |
| C22 | H9 | sing | 1.09Å | 1.10Å | |
| C22 | H10 | sing | 1.09Å | 1.10Å | |
| C5 | H11 | sing | 1.08Å | 1.08Å | |
| C4 | H12 | sing | 1.08Å | 1.08Å | |
| C19 | H13 | sing | 1.09Å | 1.10Å | |
| C19 | H14 | sing | 1.09Å | 1.10Å | |
| C20 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H16 | sing | 1.09Å | 1.10Å | |
| C23 | H17 | sing | 1.09Å | 1.10Å | |
| C23 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H19 | sing | 1.09Å | 1.10Å | |
| C18 | H21 | sing | 1.09Å | 1.10Å | |
| O21 | H22 | sing | 0.97Å | 0.95Å | |
| C2 | H23 | sing | 1.08Å | 1.08Å | |
| C1 | H24 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N25 | C24 | C6 | 177.7° | 180.0° |
| C24 | C6 | C5 | 120.9° | 120.0° |
| C24 | C6 | C1 | 120.3° | 120.1° |
| C5 | C6 | C1 | 118.8° | 119.9° |
| C6 | C5 | C4 | 119.2° | 119.9° |
| C6 | C5 | H11 | 120.4° | 120.0° |
| C6 | C1 | C2 | 120.7° | 119.9° |
| C6 | C1 | H24 | 119.7° | 120.1° |
| C5 | C4 | C3 | 123.4° | 120.1° |
| C4 | C5 | H11 | 120.4° | 120.1° |
| C5 | C4 | H12 | 118.3° | 119.9° |
| C1 | C2 | C3 | 122.9° | 120.2° |
| C1 | C2 | H23 | 118.6° | 119.9° |
| C2 | C1 | H24 | 119.7° | 120.1° |
| C4 | C3 | C2 | 115.0° | 120.1° |
| C4 | C3 | N7 | 123.5° | 119.9° |
| C3 | C4 | H12 | 118.3° | 120.0° |
| C2 | C3 | N7 | 121.5° | 120.0° |
| C3 | C2 | H23 | 118.6° | 119.9° |
| C3 | N7 | C8 | 124.0° | 124.8° |
| C3 | N7 | C11 | 121.9° | 124.8° |
| C23 | C8 | N7 | 127.4° | 125.9° |
| C23 | C8 | C9 | 129.6° | 126.0° |
| C8 | C23 | H17 | 109.5° | 109.4° |
| C8 | C23 | H18 | 109.5° | 109.4° |
| C8 | C23 | H19 | 109.4° | 109.5° |
| C8 | N7 | C11 | 114.1° | 110.4° |
| N7 | C8 | C9 | 103.0° | 108.1° |
| N7 | C11 | C22 | 134.3° | 125.5° |
| N7 | C11 | C10 | 109.3° | 109.1° |
| C8 | C9 | C10 | 107.8° | 106.0° |
| C8 | C9 | C12 | 124.0° | 127.0° |
| C22 | C11 | C10 | 116.4° | 125.4° |
| C11 | C22 | H8 | 109.5° | 109.5° |
| C11 | C22 | H9 | 109.5° | 109.4° |
| C11 | C22 | H10 | 109.5° | 109.5° |
| C11 | C10 | C9 | 105.8° | 106.4° |
| C11 | C10 | H7 | 127.1° | 126.8° |
| C10 | C9 | C12 | 128.2° | 127.1° |
| C9 | C10 | H7 | 127.1° | 126.8° |
| C9 | C12 | O14 | 123.0° | 120.1° |
| C9 | C12 | C13 | 114.9° | 120.0° |
| O14 | C12 | C13 | 122.1° | 120.0° |
| C12 | C13 | N15 | 114.9° | 109.5° |
| C12 | C13 | H1 | 108.1° | 109.5° |
| C12 | C13 | H2 | 108.1° | 109.5° |
| C19 | C20 | N15 | 107.8° | 109.5° |
| C20 | C19 | C18 | 110.0° | 109.2° |
| C20 | C19 | H13 | 109.3° | 109.5° |
| C20 | C19 | H14 | 109.3° | 109.5° |
| C19 | C20 | H15 | 109.9° | 109.4° |
| C19 | C20 | H16 | 109.9° | 109.5° |
| C20 | N15 | C13 | 120.7° | 111.0° |
| C20 | N15 | C16 | 121.9° | 111.2° |
| N15 | C20 | H15 | 109.9° | 109.5° |
| N15 | C20 | H16 | 109.9° | 109.4° |
| C19 | C18 | O21 | 110.3° | 109.5° |
| C19 | C18 | C17 | 107.1° | 109.2° |
| C18 | C19 | H13 | 109.3° | 109.5° |
| C18 | C19 | H14 | 109.3° | 109.5° |
| C19 | C18 | H21 | 109.3° | 109.6° |
| C13 | N15 | C16 | 117.3° | 111.0° |
| N15 | C13 | H1 | 108.1° | 109.5° |
| N15 | C13 | H2 | 108.1° | 109.5° |
| N15 | C16 | C17 | 108.6° | 109.5° |
| N15 | C16 | H5 | 109.7° | 109.4° |
| N15 | C16 | H6 | 109.7° | 109.5° |
| O21 | C18 | C17 | 110.1° | 109.5° |
| O21 | C18 | H21 | 110.6° | 109.5° |
| C18 | O21 | H22 | 109.5° | 114.1° |
| C18 | C17 | C16 | 109.9° | 109.3° |
| C18 | C17 | H3 | 109.4° | 109.5° |
| C18 | C17 | H4 | 109.4° | 109.5° |
| C17 | C18 | H21 | 109.3° | 109.5° |
| C16 | C17 | H3 | 109.4° | 109.5° |
| C16 | C17 | H4 | 109.3° | 109.5° |
| C17 | C16 | H5 | 109.7° | 109.5° |
| C17 | C16 | H6 | 109.7° | 109.4° |
| H1 | C13 | H2 | 109.5° | 109.5° |
| H3 | C17 | H4 | 109.5° | 109.6° |
| H5 | C16 | H6 | 109.5° | 109.4° |
| H8 | C22 | H9 | 109.5° | 109.5° |
| H8 | C22 | H10 | 109.4° | 109.5° |
| H9 | C22 | H10 | 109.4° | 109.5° |
| H13 | C19 | H14 | 109.5° | 109.6° |
| H15 | C20 | H16 | 109.5° | 109.5° |
| H17 | C23 | H18 | 109.5° | 109.5° |
| H17 | C23 | H19 | 109.5° | 109.5° |
| H18 | C23 | H19 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N25 | C24 | C6 | C5 | 59.4° | 125.4° |
| N25 | C24 | C6 | C1 | 119.0° | 54.1° |
| C24 | C6 | C5 | C1 | 178.4° | 179.5° |
| C24 | C6 | C5 | C4 | 179.0° | 179.9° |
| C24 | C6 | C1 | C2 | 178.9° | 180.0° |
| C24 | C6 | C5 | H11 | 1.0° | 0.4° |
| C24 | C6 | C1 | H24 | 1.1° | 0.2° |
| C6 | C5 | C4 | H11 | 180.0° | 179.6° |
| C5 | C6 | C1 | C2 | 0.5° | 0.5° |
| C6 | C5 | C4 | C3 | 0.4° | 0.3° |
| C6 | C5 | C4 | H12 | 179.6° | 179.7° |
| C5 | C6 | C1 | H24 | 179.5° | 179.7° |
| C1 | C6 | C5 | C4 | 0.6° | 0.5° |
| C6 | C1 | C2 | H24 | 180.0° | 179.8° |
| C6 | C1 | C2 | C3 | 0.2° | 0.3° |
| C1 | C6 | C5 | H11 | 179.4° | 179.9° |
| C6 | C1 | C2 | H23 | 179.8° | 179.7° |
| C5 | C4 | C3 | H12 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.0° | 0.1° |
| C5 | C4 | C3 | N7 | 179.9° | 179.9° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | H23 | 180.0° | 180.0° |
| C1 | C2 | C3 | N7 | 179.8° | 180.0° |
| C4 | C3 | C2 | N7 | 179.9° | 180.0° |
| C4 | C3 | N7 | C8 | 91.4° | 114.9° |
| C4 | C3 | N7 | C11 | 88.1° | 64.5° |
| C3 | C4 | C5 | H11 | 179.6° | 179.9° |
| C4 | C3 | C2 | H23 | 180.0° | 180.0° |
| C2 | C3 | N7 | C8 | 88.4° | 65.0° |
| C2 | C3 | N7 | C11 | 92.0° | 115.5° |
| C2 | C3 | C4 | H12 | 180.0° | 180.0° |
| C3 | C2 | C1 | H24 | 179.8° | 180.0° |
| C3 | N7 | C8 | C23 | 0.3° | 0.3° |
| C3 | N7 | C8 | C11 | 179.6° | 179.5° |
| C3 | N7 | C8 | C9 | 179.7° | 180.0° |
| C3 | N7 | C11 | C22 | 0.3° | 0.3° |
| C3 | N7 | C11 | C10 | 179.8° | 180.0° |
| N7 | C3 | C4 | H12 | 0.1° | 0.0° |
| N7 | C3 | C2 | H23 | 0.2° | 0.0° |
| C23 | C8 | N7 | C9 | 180.0° | 179.7° |
| C23 | C8 | N7 | C11 | 179.9° | 179.8° |
| C23 | C8 | C9 | C10 | 179.9° | 180.0° |
| C23 | C8 | C9 | C12 | 0.5° | 0.3° |
| C8 | C23 | H17 | H18 | 120.0° | 119.9° |
| C8 | C23 | H17 | H19 | 120.0° | 120.0° |
| C8 | C23 | H18 | H19 | 120.0° | 120.0° |
| C8 | N7 | C11 | C22 | 179.9° | 179.8° |
| C8 | N7 | C11 | C10 | 0.2° | 0.5° |
| N7 | C8 | C9 | C10 | 0.0° | 0.3° |
| N7 | C8 | C9 | C12 | 179.5° | 179.9° |
| N7 | C8 | C23 | H17 | 90.0° | 90.4° |
| N7 | C8 | C23 | H18 | 150.0° | 29.6° |
| N7 | C8 | C23 | H19 | 30.0° | 149.6° |
| C11 | N7 | C8 | C9 | 0.1° | 0.5° |
| N7 | C11 | C22 | C10 | 179.9° | 179.7° |
| N7 | C11 | C10 | C9 | 0.2° | 0.3° |
| N7 | C11 | C10 | H7 | 179.8° | 179.8° |
| N7 | C11 | C22 | H8 | 90.1° | 89.7° |
| N7 | C11 | C22 | H9 | 149.9° | 30.3° |
| N7 | C11 | C22 | H10 | 29.9° | 150.3° |
| C8 | C9 | C10 | C11 | 0.1° | 0.0° |
| C8 | C9 | C10 | C12 | 179.4° | 179.8° |
| C8 | C9 | C12 | O14 | 8.4° | 0.0° |
| C8 | C9 | C12 | C13 | 169.9° | 180.0° |
| C8 | C9 | C10 | H7 | 179.9° | 180.0° |
| C9 | C8 | C23 | H17 | 90.0° | 90.0° |
| C9 | C8 | C23 | H18 | 30.1° | 150.0° |
| C9 | C8 | C23 | H19 | 150.0° | 30.0° |
| C22 | C11 | C10 | C9 | 179.9° | 180.0° |
| C22 | C11 | C10 | H7 | 0.1° | 0.0° |
| C11 | C22 | H8 | H9 | 120.0° | 119.9° |
| C11 | C22 | H8 | H10 | 120.0° | 120.0° |
| C11 | C22 | H9 | H10 | 120.0° | 120.0° |
| C11 | C10 | C9 | H7 | 180.0° | 179.9° |
| C11 | C10 | C9 | C12 | 179.6° | 179.8° |
| C10 | C11 | C22 | H8 | 90.1° | 90.0° |
| C10 | C11 | C22 | H9 | 30.0° | 150.0° |
| C10 | C11 | C22 | H10 | 149.9° | 30.1° |
| C10 | C9 | C12 | O14 | 172.2° | 179.7° |
| C10 | C9 | C12 | C13 | 9.4° | 0.2° |
| C9 | C12 | O14 | C13 | 178.3° | 180.0° |
| C9 | C12 | C13 | N15 | 132.3° | 180.0° |
| C9 | C12 | C13 | H1 | 106.9° | 60.0° |
| C9 | C12 | C13 | H2 | 11.5° | 60.0° |
| C12 | C9 | C10 | H7 | 0.4° | 0.2° |
| O14 | C12 | C13 | N15 | 49.3° | 0.0° |
| O14 | C12 | C13 | H1 | 71.5° | 120.0° |
| O14 | C12 | C13 | H2 | 170.1° | 120.0° |
| C12 | C13 | N15 | C20 | 28.8° | 170.0° |
| C12 | C13 | N15 | H1 | 120.8° | 120.0° |
| C12 | C13 | N15 | H2 | 120.8° | 120.0° |
| C12 | C13 | N15 | C16 | 154.4° | 65.8° |
| C12 | C13 | H1 | H2 | 117.5° | 120.0° |
| C19 | C20 | N15 | H15 | 119.7° | 120.0° |
| C19 | C20 | N15 | H16 | 119.7° | 120.0° |
| C20 | C19 | C18 | H13 | 120.1° | 119.9° |
| C20 | C19 | C18 | H14 | 120.1° | 119.9° |
| C19 | C20 | N15 | C13 | 135.3° | 174.2° |
| C19 | C20 | N15 | C16 | 48.0° | 61.7° |
| C20 | C19 | C18 | O21 | 175.0° | 177.6° |
| C20 | C19 | C18 | C17 | 65.2° | 57.6° |
| C20 | C19 | H13 | H14 | 119.7° | 120.2° |
| C19 | C20 | H15 | H16 | 120.8° | 120.0° |
| C20 | C19 | C18 | H21 | 53.2° | 62.3° |
| N15 | C20 | C19 | C18 | 54.2° | 59.1° |
| C20 | N15 | C13 | C16 | 176.9° | 124.2° |
| C20 | N15 | C16 | C17 | 47.7° | 61.8° |
| C20 | N15 | C13 | H1 | 149.6° | 70.0° |
| C20 | N15 | C13 | H2 | 92.0° | 50.0° |
| C20 | N15 | C16 | H5 | 167.5° | 58.3° |
| C20 | N15 | C16 | H6 | 72.2° | 178.2° |
| N15 | C20 | C19 | H13 | 174.3° | 179.0° |
| N15 | C20 | C19 | H14 | 65.9° | 60.8° |
| N15 | C20 | H15 | H16 | 120.8° | 120.0° |
| C19 | C18 | O21 | C17 | 118.0° | 119.7° |
| C19 | C18 | O21 | H21 | 121.1° | 120.2° |
| C19 | C18 | C17 | H21 | 118.4° | 120.0° |
| C19 | C18 | C17 | C16 | 64.3° | 57.7° |
| C19 | C18 | C17 | H3 | 175.6° | 62.2° |
| C19 | C18 | C17 | H4 | 55.8° | 177.6° |
| C18 | C19 | H13 | H14 | 119.7° | 120.1° |
| C18 | C19 | C20 | H15 | 173.9° | 179.2° |
| C18 | C19 | C20 | H16 | 65.6° | 60.8° |
| C19 | C18 | O21 | H22 | 180.0° | 180.0° |
| C13 | N15 | C16 | C17 | 135.5° | 174.2° |
| N15 | C13 | H1 | H2 | 117.5° | 120.0° |
| C13 | N15 | C16 | H5 | 15.6° | 65.8° |
| C13 | N15 | C16 | H6 | 104.6° | 54.2° |
| C13 | N15 | C20 | H15 | 15.6° | 54.2° |
| C13 | N15 | C20 | H16 | 105.0° | 65.9° |
| N15 | C16 | C17 | C18 | 53.1° | 59.2° |
| N15 | C16 | C17 | H5 | 119.9° | 120.0° |
| N15 | C16 | C17 | H6 | 119.9° | 120.0° |
| C16 | N15 | C13 | H1 | 33.6° | 54.2° |
| C16 | N15 | C13 | H2 | 84.8° | 174.2° |
| N15 | C16 | C17 | H3 | 173.1° | 60.7° |
| N15 | C16 | C17 | H4 | 67.0° | 179.1° |
| N15 | C16 | H5 | H6 | 120.4° | 119.9° |
| C16 | N15 | C20 | H15 | 167.7° | 178.3° |
| C16 | N15 | C20 | H16 | 71.7° | 58.2° |
| O21 | C18 | C17 | H21 | 121.7° | 120.1° |
| O21 | C18 | C17 | C16 | 175.7° | 177.6° |
| O21 | C18 | C17 | H3 | 55.7° | 57.7° |
| O21 | C18 | C17 | H4 | 64.2° | 62.4° |
| O21 | C18 | C19 | H13 | 54.9° | 62.6° |
| O21 | C18 | C19 | H14 | 64.9° | 57.6° |
| C18 | C17 | C16 | H3 | 120.1° | 119.9° |
| C18 | C17 | C16 | H4 | 120.1° | 119.9° |
| C18 | C17 | H3 | H4 | 119.8° | 120.1° |
| C18 | C17 | C16 | H5 | 173.0° | 60.8° |
| C18 | C17 | C16 | H6 | 66.8° | 179.2° |
| C17 | C18 | C19 | H13 | 174.7° | 177.5° |
| C17 | C18 | C19 | H14 | 54.9° | 62.3° |
| C17 | C18 | O21 | H22 | 62.0° | 60.3° |
| C16 | C17 | H3 | H4 | 119.8° | 120.1° |
| C17 | C16 | H5 | H6 | 120.4° | 120.0° |
| C16 | C17 | C18 | H21 | 54.0° | 62.3° |
| H3 | C17 | C16 | H5 | 67.0° | 179.3° |
| H3 | C17 | C16 | H6 | 53.3° | 59.3° |
| H3 | C17 | C18 | H21 | 66.0° | 177.8° |
| H4 | C17 | C16 | H5 | 52.9° | 59.1° |
| H4 | C17 | C16 | H6 | 173.1° | 60.9° |
| H4 | C17 | C18 | H21 | 174.1° | 57.6° |
| H8 | C22 | H9 | H10 | 120.0° | 120.1° |
| H11 | C5 | C4 | H12 | 0.4° | 0.2° |
| H13 | C19 | C20 | H15 | 66.0° | 60.9° |
| H13 | C19 | C20 | H16 | 54.5° | 59.1° |
| H13 | C19 | C18 | H21 | 66.9° | 57.6° |
| H14 | C19 | C20 | H15 | 53.8° | 59.3° |
| H14 | C19 | C20 | H16 | 174.4° | 179.3° |
| H14 | C19 | C18 | H21 | 173.3° | 177.7° |
| H17 | C23 | H18 | H19 | 120.0° | 120.1° |
| H21 | C18 | O21 | H22 | 58.9° | 59.8° |
| H23 | C2 | C1 | H24 | 0.2° | 0.0° |
