A1EU8
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.39Å | 1.37Å | Aromatic |
| C23 | C18 | doub | 1.39Å | 1.38Å | Aromatic |
| C25 | O24 | sing | 1.43Å | 1.39Å | |
| C20 | O24 | sing | 1.36Å | 1.39Å | |
| C20 | C19 | doub | 1.39Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.39Å | 1.37Å | Aromatic |
| C18 | C16 | sing | 1.48Å | 1.51Å | |
| C17 | C16 | sing | 1.41Å | 1.40Å | Aromatic |
| C17 | C12 | doub | 1.38Å | 1.40Å | Aromatic |
| O13 | C11 | doub | 1.22Å | 1.18Å | |
| C16 | N15 | doub | 1.32Å | 1.30Å | Aromatic |
| C01 | O02 | sing | 1.43Å | 1.40Å | |
| C12 | C11 | sing | 1.47Å | 1.51Å | |
| C12 | N14 | sing | 1.37Å | 1.30Å | Aromatic |
| C11 | N10 | sing | 1.35Å | 1.44Å | |
| N15 | N14 | sing | 1.28Å | 1.32Å | Aromatic |
| O02 | C03 | sing | 1.36Å | 1.40Å | |
| C04 | C03 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | sing | 1.38Å | 1.38Å | Aromatic |
| N10 | C09 | sing | 1.47Å | 1.45Å | |
| C09 | C05 | sing | 1.51Å | 1.52Å | |
| C03 | C08 | sing | 1.39Å | 1.38Å | Aromatic |
| C05 | C06 | doub | 1.38Å | 1.38Å | Aromatic |
| C08 | C07 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C07 | sing | 1.38Å | 1.38Å | Aromatic |
| C17 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C04 | H7 | sing | 1.08Å | 1.08Å | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C07 | H9 | sing | 1.08Å | 1.08Å | |
| C08 | H10 | sing | 1.08Å | 1.08Å | |
| C09 | H11 | sing | 1.09Å | 1.10Å | |
| C09 | H12 | sing | 1.09Å | 1.10Å | |
| N10 | H13 | sing | 0.97Å | 1.00Å | |
| N14 | H14 | sing | 0.97Å | 1.00Å | |
| C19 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.09Å | 1.10Å | |
| C25 | H18 | sing | 1.09Å | 1.10Å | |
| C25 | H19 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 118.7° | 120.2° |
| C22 | C21 | C20 | 121.0° | 120.2° |
| C22 | C21 | H2 | 119.5° | 119.9° |
| C21 | C22 | H3 | 120.6° | 119.9° |
| C22 | C23 | C18 | 120.0° | 120.0° |
| C23 | C22 | H3 | 120.6° | 119.9° |
| C22 | C23 | H16 | 120.0° | 120.1° |
| C21 | C20 | O24 | 119.1° | 120.0° |
| C21 | C20 | C19 | 120.4° | 120.0° |
| C20 | C21 | H2 | 119.5° | 119.9° |
| C23 | C18 | C19 | 121.2° | 119.8° |
| C23 | C18 | C16 | 119.5° | 120.1° |
| C18 | C23 | H16 | 120.0° | 120.0° |
| C25 | O24 | C20 | 112.4° | 117.0° |
| O24 | C25 | H17 | 109.5° | 109.5° |
| O24 | C25 | H18 | 109.5° | 109.5° |
| O24 | C25 | H19 | 109.5° | 109.5° |
| O24 | C20 | C19 | 120.5° | 120.0° |
| C20 | C19 | C18 | 118.6° | 119.8° |
| C20 | C19 | H15 | 120.7° | 120.1° |
| C19 | C18 | C16 | 119.3° | 120.1° |
| C18 | C19 | H15 | 120.7° | 120.0° |
| C18 | C16 | C17 | 125.6° | 126.2° |
| C18 | C16 | N15 | 126.6° | 126.2° |
| C16 | C17 | C12 | 103.9° | 105.3° |
| C17 | C16 | N15 | 107.8° | 107.6° |
| C16 | C17 | H1 | 128.1° | 127.4° |
| C17 | C12 | C11 | 125.4° | 126.8° |
| C17 | C12 | N14 | 108.5° | 106.4° |
| C12 | C17 | H1 | 128.0° | 127.3° |
| O13 | C11 | C12 | 119.4° | 120.0° |
| O13 | C11 | N10 | 121.3° | 120.0° |
| C16 | N15 | N14 | 110.7° | 110.8° |
| C01 | O02 | C03 | 113.4° | 117.0° |
| O02 | C01 | H4 | 109.5° | 109.5° |
| O02 | C01 | H5 | 109.4° | 109.5° |
| O02 | C01 | H6 | 109.4° | 109.4° |
| C11 | C12 | N14 | 126.1° | 126.8° |
| C12 | C11 | N10 | 119.2° | 120.0° |
| C12 | N14 | N15 | 109.2° | 109.9° |
| C12 | N14 | H14 | 125.4° | 125.1° |
| C11 | N10 | C09 | 120.3° | 119.9° |
| C11 | N10 | H13 | 119.9° | 120.1° |
| N15 | N14 | H14 | 125.4° | 125.0° |
| O02 | C03 | C04 | 119.3° | 120.0° |
| O02 | C03 | C08 | 121.1° | 120.1° |
| C03 | C04 | C05 | 121.0° | 119.9° |
| C04 | C03 | C08 | 119.6° | 119.9° |
| C03 | C04 | H7 | 119.5° | 120.0° |
| C04 | C05 | C09 | 119.3° | 120.0° |
| C04 | C05 | C06 | 119.6° | 120.1° |
| C05 | C04 | H7 | 119.5° | 120.0° |
| N10 | C09 | C05 | 114.0° | 109.4° |
| N10 | C09 | H11 | 108.3° | 109.5° |
| N10 | C09 | H12 | 108.4° | 109.5° |
| C09 | N10 | H13 | 119.8° | 120.0° |
| C09 | C05 | C06 | 121.1° | 119.9° |
| C05 | C09 | H11 | 108.3° | 109.5° |
| C05 | C09 | H12 | 108.3° | 109.4° |
| C03 | C08 | C07 | 119.6° | 119.9° |
| C03 | C08 | H10 | 120.2° | 120.0° |
| C05 | C06 | C07 | 119.6° | 120.1° |
| C05 | C06 | H8 | 120.2° | 119.9° |
| C08 | C07 | C06 | 120.6° | 120.1° |
| C08 | C07 | H9 | 119.7° | 119.9° |
| C07 | C08 | H10 | 120.2° | 120.0° |
| C07 | C06 | H8 | 120.2° | 120.0° |
| C06 | C07 | H9 | 119.7° | 120.0° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H11 | C09 | H12 | 109.4° | 109.5° |
| H17 | C25 | H18 | 109.5° | 109.4° |
| H17 | C25 | H19 | 109.5° | 109.4° |
| H18 | C25 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C21 | C22 | C23 | H3 | 180.0° | 179.9° |
| C22 | C21 | C20 | H2 | 180.0° | 180.0° |
| C21 | C22 | C23 | C18 | 0.1° | 0.1° |
| C22 | C21 | C20 | O24 | 180.0° | 180.0° |
| C22 | C21 | C20 | C19 | 0.5° | 0.3° |
| C21 | C22 | C23 | H16 | 179.8° | 180.0° |
| C23 | C22 | C21 | C20 | 0.4° | 0.1° |
| C22 | C23 | C18 | H16 | 180.0° | 179.9° |
| C22 | C23 | C18 | C19 | 0.1° | 0.1° |
| C22 | C23 | C18 | C16 | 179.0° | 179.8° |
| C23 | C22 | C21 | H2 | 179.6° | 179.9° |
| C21 | C20 | O24 | C25 | 1.8° | 0.3° |
| C21 | C20 | O24 | C19 | 179.5° | 179.7° |
| C21 | C20 | C19 | C18 | 0.5° | 0.3° |
| C20 | C21 | C22 | H3 | 179.7° | 180.0° |
| C21 | C20 | C19 | H15 | 179.5° | 179.7° |
| C23 | C18 | C19 | C20 | 0.3° | 0.1° |
| C23 | C18 | C19 | C16 | 178.9° | 179.9° |
| C23 | C18 | C16 | C17 | 13.7° | 0.1° |
| C23 | C18 | C16 | N15 | 168.7° | 179.9° |
| C18 | C23 | C22 | H3 | 179.9° | 179.8° |
| C23 | C18 | C19 | H15 | 179.7° | 179.9° |
| C25 | O24 | C20 | C19 | 177.6° | 180.0° |
| O24 | C25 | H17 | H18 | 120.0° | 120.1° |
| O24 | C25 | H17 | H19 | 120.0° | 120.0° |
| O24 | C25 | H18 | H19 | 120.0° | 120.0° |
| O24 | C20 | C19 | C18 | 180.0° | 180.0° |
| O24 | C20 | C21 | H2 | 0.1° | 0.0° |
| O24 | C20 | C19 | H15 | 0.0° | 0.0° |
| C20 | O24 | C25 | H17 | 180.0° | 60.0° |
| C20 | O24 | C25 | H18 | 60.0° | 60.0° |
| C20 | O24 | C25 | H19 | 60.0° | 180.0° |
| C20 | C19 | C18 | H15 | 180.0° | 180.0° |
| C20 | C19 | C18 | C16 | 179.2° | 180.0° |
| C19 | C20 | C21 | H2 | 179.4° | 179.7° |
| C19 | C18 | C16 | C17 | 165.3° | 180.0° |
| C19 | C18 | C16 | N15 | 12.3° | 0.0° |
| C19 | C18 | C23 | H16 | 179.9° | 180.0° |
| C18 | C16 | C17 | N15 | 178.0° | 180.0° |
| C18 | C16 | C17 | C12 | 178.8° | 180.0° |
| C18 | C16 | N15 | N14 | 179.2° | 180.0° |
| C18 | C16 | C17 | H1 | 1.2° | 0.3° |
| C16 | C18 | C19 | H15 | 0.8° | 0.0° |
| C16 | C18 | C23 | H16 | 1.0° | 0.1° |
| C16 | C17 | C12 | H1 | 180.0° | 179.7° |
| C16 | C17 | C12 | C11 | 179.1° | 179.9° |
| C16 | C17 | C12 | N14 | 0.0° | 0.0° |
| C17 | C16 | N15 | N14 | 1.3° | 0.0° |
| C17 | C12 | C11 | O13 | 1.4° | 0.0° |
| C12 | C17 | C16 | N15 | 0.8° | 0.0° |
| C17 | C12 | C11 | N14 | 178.9° | 179.9° |
| C17 | C12 | C11 | N10 | 179.4° | 180.0° |
| C17 | C12 | N14 | N15 | 0.8° | 0.0° |
| C17 | C12 | N14 | H14 | 179.2° | 180.0° |
| O13 | C11 | C12 | N10 | 179.3° | 180.0° |
| O13 | C11 | C12 | N14 | 177.6° | 179.9° |
| O13 | C11 | N10 | C09 | 0.2° | 0.0° |
| O13 | C11 | N10 | H13 | 179.8° | 180.0° |
| C16 | N15 | N14 | C12 | 1.3° | 0.0° |
| N15 | C16 | C17 | H1 | 179.2° | 179.7° |
| C16 | N15 | N14 | H14 | 178.7° | 180.0° |
| C01 | O02 | C03 | C04 | 0.5° | 179.8° |
| C01 | O02 | C03 | C08 | 179.0° | 0.0° |
| O02 | C01 | H4 | H5 | 120.0° | 120.1° |
| O02 | C01 | H4 | H6 | 120.0° | 120.0° |
| O02 | C01 | H5 | H6 | 120.0° | 119.9° |
| C11 | C12 | N14 | N15 | 179.9° | 180.0° |
| C12 | C11 | N10 | C09 | 179.4° | 180.0° |
| C11 | C12 | C17 | H1 | 0.9° | 0.2° |
| C12 | C11 | N10 | H13 | 0.6° | 0.0° |
| C11 | C12 | N14 | H14 | 0.1° | 0.1° |
| N14 | C12 | C11 | N10 | 1.7° | 0.1° |
| C12 | N14 | N15 | H14 | 180.0° | 179.9° |
| N14 | C12 | C17 | H1 | 180.0° | 179.7° |
| C11 | N10 | C09 | H13 | 180.0° | 180.0° |
| C11 | N10 | C09 | C05 | 89.1° | 180.0° |
| C11 | N10 | C09 | H11 | 150.3° | 60.0° |
| C11 | N10 | C09 | H12 | 31.6° | 60.0° |
| O02 | C03 | C04 | C08 | 179.5° | 179.8° |
| O02 | C03 | C04 | C05 | 179.8° | 179.9° |
| O02 | C03 | C08 | C07 | 180.0° | 179.8° |
| C03 | O02 | C01 | H4 | 180.0° | 180.0° |
| C03 | O02 | C01 | H5 | 60.0° | 60.0° |
| C03 | O02 | C01 | H6 | 60.0° | 60.0° |
| O02 | C03 | C04 | H7 | 0.2° | 0.1° |
| O02 | C03 | C08 | H10 | 0.0° | 0.0° |
| C03 | C04 | C05 | H7 | 180.0° | 180.0° |
| C03 | C04 | C05 | C09 | 178.9° | 180.0° |
| C03 | C04 | C05 | C06 | 0.3° | 0.0° |
| C04 | C03 | C08 | C07 | 0.5° | 0.5° |
| C04 | C03 | C08 | H10 | 179.5° | 179.7° |
| C04 | C05 | C09 | N10 | 107.9° | 90.0° |
| C04 | C05 | C09 | C06 | 179.2° | 180.0° |
| C05 | C04 | C03 | C08 | 0.6° | 0.2° |
| C04 | C05 | C06 | C07 | 0.2° | 0.0° |
| C04 | C05 | C06 | H8 | 179.8° | 180.0° |
| C04 | C05 | C09 | H11 | 131.4° | 150.0° |
| C04 | C05 | C09 | H12 | 12.8° | 30.0° |
| N10 | C09 | C05 | H11 | 120.7° | 120.0° |
| N10 | C09 | C05 | H12 | 120.7° | 120.0° |
| N10 | C09 | C05 | C06 | 72.9° | 90.0° |
| N10 | C09 | H11 | H12 | 118.0° | 120.0° |
| C09 | C05 | C06 | C07 | 179.4° | 179.9° |
| C09 | C05 | C04 | H7 | 1.1° | 0.0° |
| C09 | C05 | C06 | H8 | 0.6° | 0.0° |
| C05 | C09 | H11 | H12 | 117.9° | 120.0° |
| C05 | C09 | N10 | H13 | 90.9° | 0.0° |
| C03 | C08 | C07 | H10 | 180.0° | 179.8° |
| C03 | C08 | C07 | C06 | 0.0° | 0.5° |
| C08 | C03 | C04 | H7 | 179.4° | 179.8° |
| C03 | C08 | C07 | H9 | 179.9° | 179.8° |
| C05 | C06 | C07 | C08 | 0.3° | 0.3° |
| C05 | C06 | C07 | H8 | 180.0° | 179.9° |
| C06 | C05 | C04 | H7 | 179.7° | 179.9° |
| C05 | C06 | C07 | H9 | 179.7° | 180.0° |
| C06 | C05 | C09 | H11 | 47.8° | 30.0° |
| C06 | C05 | C09 | H12 | 166.4° | 150.0° |
| C08 | C07 | C06 | H9 | 180.0° | 179.7° |
| C08 | C07 | C06 | H8 | 179.7° | 179.7° |
| C06 | C07 | C08 | H10 | 180.0° | 179.6° |
| H2 | C21 | C22 | H3 | 0.4° | 0.0° |
| H3 | C22 | C23 | H16 | 0.1° | 0.1° |
| H4 | C01 | H5 | H6 | 120.0° | 120.0° |
| H8 | C06 | C07 | H9 | 0.3° | 0.0° |
| H9 | C07 | C08 | H10 | 0.1° | 0.1° |
| H11 | C09 | N10 | H13 | 29.7° | 120.0° |
| H12 | C09 | N10 | H13 | 148.4° | 120.0° |
| H17 | C25 | H18 | H19 | 120.0° | 119.9° |
