AYV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.39Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.39Å | Aromatic |
| C6 | N2 | sing | 1.40Å | 1.41Å | |
| N2 | C5 | sing | 1.35Å | 1.37Å | |
| O2 | C4 | sing | 1.43Å | 1.42Å | |
| N1 | C5 | sing | 1.35Å | 1.35Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C5 | O3 | doub | 1.22Å | 1.24Å | |
| O1 | C3 | sing | 1.43Å | 1.42Å | |
| C4 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.53Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | H7 | sing | 1.09Å | 1.10Å | |
| C1 | H8 | sing | 1.09Å | 1.10Å | |
| C1 | H9 | sing | 1.09Å | 1.10Å | |
| C3 | H10 | sing | 1.09Å | 1.10Å | |
| C3 | H11 | sing | 1.09Å | 1.10Å | |
| O1 | H12 | sing | 0.97Å | 0.95Å | |
| O2 | H13 | sing | 0.97Å | 0.95Å | |
| N2 | H14 | sing | 0.97Å | 1.00Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å | |
| C11 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | C7 | 120.1° | 120.1° |
| C8 | C9 | C10 | 119.7° | 120.1° |
| C9 | C8 | H5 | 120.0° | 120.0° |
| C8 | C9 | H15 | 120.2° | 119.9° |
| C8 | C7 | C6 | 120.6° | 119.9° |
| C8 | C7 | H4 | 119.8° | 120.0° |
| C7 | C8 | H5 | 119.9° | 120.0° |
| C9 | C10 | C11 | 120.7° | 120.1° |
| C9 | C10 | H6 | 119.6° | 120.0° |
| C10 | C9 | H15 | 120.2° | 119.9° |
| C7 | C6 | C11 | 118.9° | 119.9° |
| C7 | C6 | N2 | 116.7° | 120.0° |
| C6 | C7 | H4 | 119.7° | 120.1° |
| C10 | C11 | C6 | 120.0° | 119.9° |
| C11 | C10 | H6 | 119.7° | 120.0° |
| C10 | C11 | H16 | 120.0° | 120.0° |
| C11 | C6 | N2 | 124.4° | 120.1° |
| C6 | C11 | H16 | 120.0° | 120.1° |
| C6 | N2 | C5 | 129.4° | 120.0° |
| C6 | N2 | H14 | 115.3° | 120.0° |
| N2 | C5 | N1 | 112.9° | 120.0° |
| N2 | C5 | O3 | 123.8° | 120.0° |
| C5 | N2 | H14 | 115.3° | 120.0° |
| O2 | C4 | C2 | 112.2° | 109.5° |
| O2 | C4 | H2 | 108.8° | 109.5° |
| O2 | C4 | H3 | 108.8° | 109.5° |
| C4 | O2 | H13 | 109.5° | 114.0° |
| C5 | N1 | C2 | 126.9° | 120.0° |
| N1 | C5 | O3 | 123.2° | 120.1° |
| C5 | N1 | H1 | 116.6° | 120.0° |
| N1 | C2 | C4 | 105.9° | 109.5° |
| N1 | C2 | C3 | 108.9° | 109.5° |
| N1 | C2 | C1 | 112.6° | 109.5° |
| C2 | N1 | H1 | 116.5° | 120.0° |
| O1 | C3 | C2 | 112.3° | 109.5° |
| O1 | C3 | H10 | 108.8° | 109.4° |
| O1 | C3 | H11 | 108.8° | 109.4° |
| C3 | O1 | H12 | 109.5° | 114.0° |
| C4 | C2 | C3 | 110.2° | 109.4° |
| C4 | C2 | C1 | 109.1° | 109.5° |
| C2 | C4 | H2 | 108.8° | 109.5° |
| C2 | C4 | H3 | 108.8° | 109.5° |
| C3 | C2 | C1 | 110.0° | 109.5° |
| C2 | C3 | H10 | 108.8° | 109.5° |
| C2 | C3 | H11 | 108.8° | 109.5° |
| C2 | C1 | H7 | 109.5° | 109.4° |
| C2 | C1 | H8 | 109.5° | 109.4° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| H2 | C4 | H3 | 109.5° | 109.4° |
| H7 | C1 | H8 | 109.5° | 109.5° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H10 | C3 | H11 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | C7 | H5 | 180.0° | 180.0° |
| C8 | C9 | C10 | H15 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.1° | 0.0° |
| C8 | C9 | C10 | C11 | 0.2° | 0.1° |
| C9 | C8 | C7 | H4 | 179.9° | 180.0° |
| C8 | C9 | C10 | H6 | 179.8° | 180.0° |
| C7 | C8 | C9 | C10 | 0.1° | 0.1° |
| C8 | C7 | C6 | H4 | 180.0° | 180.0° |
| C8 | C7 | C6 | C11 | 0.2° | 0.0° |
| C8 | C7 | C6 | N2 | 179.6° | 179.7° |
| C7 | C8 | C9 | H15 | 179.8° | 180.0° |
| C9 | C10 | C11 | H6 | 180.0° | 179.9° |
| C9 | C10 | C11 | C6 | 0.0° | 0.1° |
| C10 | C9 | C8 | H5 | 179.8° | 179.9° |
| C9 | C10 | C11 | H16 | 180.0° | 179.8° |
| C7 | C6 | C11 | C10 | 0.2° | 0.0° |
| C7 | C6 | C11 | N2 | 179.8° | 179.7° |
| C7 | C6 | N2 | C5 | 177.3° | 145.2° |
| C6 | C7 | C8 | H5 | 179.9° | 180.0° |
| C7 | C6 | N2 | H14 | 2.7° | 34.8° |
| C7 | C6 | C11 | H16 | 179.8° | 179.8° |
| C10 | C11 | C6 | H16 | 180.0° | 179.8° |
| C10 | C11 | C6 | N2 | 179.6° | 179.7° |
| C11 | C10 | C9 | H15 | 179.8° | 180.0° |
| C11 | C6 | N2 | C5 | 2.8° | 35.1° |
| C11 | C6 | C7 | H4 | 179.8° | 180.0° |
| C6 | C11 | C10 | H6 | 180.0° | 180.0° |
| C11 | C6 | N2 | H14 | 177.1° | 144.9° |
| C6 | N2 | C5 | H14 | 180.0° | 180.0° |
| C6 | N2 | C5 | N1 | 157.2° | 175.4° |
| C6 | N2 | C5 | O3 | 26.1° | 4.6° |
| N2 | C6 | C7 | H4 | 0.4° | 0.2° |
| N2 | C6 | C11 | H16 | 0.4° | 0.1° |
| N2 | C5 | N1 | O3 | 176.6° | 180.0° |
| N2 | C5 | N1 | C2 | 138.7° | 180.0° |
| N2 | C5 | N1 | H1 | 41.3° | 0.3° |
| O2 | C4 | C2 | N1 | 49.8° | 55.0° |
| O2 | C4 | C2 | H2 | 120.4° | 120.0° |
| O2 | C4 | C2 | H3 | 120.4° | 120.0° |
| O2 | C4 | C2 | C3 | 167.4° | 65.0° |
| O2 | C4 | C2 | C1 | 71.7° | 175.0° |
| O2 | C4 | H2 | H3 | 118.8° | 120.0° |
| C5 | N1 | C2 | H1 | 180.0° | 179.7° |
| C5 | N1 | C2 | C4 | 140.7° | 60.0° |
| C5 | N1 | C2 | C3 | 100.8° | 180.0° |
| C5 | N1 | C2 | C1 | 21.5° | 60.0° |
| N1 | C5 | N2 | H14 | 22.7° | 4.6° |
| C2 | N1 | C5 | O3 | 38.0° | 0.0° |
| N1 | C2 | C3 | O1 | 46.9° | 180.0° |
| N1 | C2 | C4 | C3 | 117.6° | 120.0° |
| N1 | C2 | C4 | C1 | 121.5° | 120.0° |
| N1 | C2 | C3 | C1 | 123.9° | 120.0° |
| N1 | C2 | C4 | H2 | 70.7° | 65.1° |
| N1 | C2 | C4 | H3 | 170.2° | 175.0° |
| N1 | C2 | C1 | H7 | 180.0° | 60.0° |
| N1 | C2 | C1 | H8 | 60.0° | 180.0° |
| N1 | C2 | C1 | H9 | 60.0° | 60.0° |
| N1 | C2 | C3 | H10 | 73.5° | 60.0° |
| N1 | C2 | C3 | H11 | 167.3° | 60.0° |
| O3 | C5 | N1 | H1 | 142.0° | 179.7° |
| O3 | C5 | N2 | H14 | 153.9° | 175.4° |
| O1 | C3 | C2 | C4 | 68.9° | 60.0° |
| O1 | C3 | C2 | H10 | 120.5° | 120.0° |
| O1 | C3 | C2 | H11 | 120.4° | 120.0° |
| O1 | C3 | C2 | C1 | 170.8° | 60.0° |
| O1 | C3 | H10 | H11 | 118.7° | 119.9° |
| C4 | C2 | C3 | C1 | 120.4° | 120.0° |
| C4 | C2 | N1 | H1 | 39.2° | 120.3° |
| C2 | C4 | H2 | H3 | 118.7° | 120.0° |
| C4 | C2 | C1 | H7 | 62.7° | 180.0° |
| C4 | C2 | C1 | H8 | 57.3° | 60.0° |
| C4 | C2 | C1 | H9 | 177.3° | 60.0° |
| C4 | C2 | C3 | H10 | 170.7° | 180.0° |
| C4 | C2 | C3 | H11 | 51.6° | 60.0° |
| C2 | C4 | O2 | H13 | 180.0° | 180.0° |
| C3 | C2 | N1 | H1 | 79.3° | 0.3° |
| C3 | C2 | C4 | H2 | 47.0° | 175.0° |
| C3 | C2 | C4 | H3 | 72.2° | 55.0° |
| C3 | C2 | C1 | H7 | 58.3° | 60.0° |
| C3 | C2 | C1 | H8 | 178.4° | 60.0° |
| C3 | C2 | C1 | H9 | 61.7° | 180.0° |
| C2 | C3 | H10 | H11 | 118.7° | 120.0° |
| C2 | C3 | O1 | H12 | 180.0° | 180.0° |
| C1 | C2 | N1 | H1 | 158.4° | 119.7° |
| C1 | C2 | C4 | H2 | 167.9° | 55.0° |
| C1 | C2 | C4 | H3 | 48.7° | 65.0° |
| C2 | C1 | H7 | H8 | 120.0° | 120.0° |
| C2 | C1 | H7 | H9 | 120.0° | 120.0° |
| C2 | C1 | H8 | H9 | 120.0° | 120.0° |
| C1 | C2 | C3 | H10 | 50.3° | 60.0° |
| C1 | C2 | C3 | H11 | 68.8° | 180.0° |
| H2 | C4 | O2 | H13 | 59.6° | 60.0° |
| H3 | C4 | O2 | H13 | 59.6° | 60.0° |
| H4 | C7 | C8 | H5 | 0.1° | 0.0° |
| H5 | C8 | C9 | H15 | 0.2° | 0.0° |
| H6 | C10 | C9 | H15 | 0.2° | 0.1° |
| H6 | C10 | C11 | H16 | 0.0° | 0.2° |
| H7 | C1 | H8 | H9 | 120.0° | 120.1° |
| H10 | C3 | O1 | H12 | 59.6° | 60.0° |
| H11 | C3 | O1 | H12 | 59.6° | 60.0° |
