YWV
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C18 | C17 | doub | 1.37Å | 1.37Å | Aromatic |
| C18 | C19 | sing | 1.37Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.41Å | Aromatic |
| C16 | C15 | doub | 1.39Å | 1.39Å | Aromatic |
| C20 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C15 | N2 | sing | 1.43Å | 1.42Å | |
| N2 | RU2 | sing | 1.61Å | 2.05Å | |
| N2 | C7 | sing | 1.35Å | 1.33Å | |
| RU2 | O2 | sing | 1.99Å | 2.05Å | |
| RU2 | RU1 | sing | 2.52Å | 2.29Å | |
| C7 | N1 | doub | 1.34Å | 1.31Å | |
| O2 | C1 | sing | 1.25Å | 1.29Å | |
| N1 | RU1 | sing | 1.75Å | 2.04Å | |
| N1 | C8 | sing | 1.43Å | 1.45Å | |
| RU1 | O1 | sing | 2.23Å | 2.05Å | |
| C8 | C9 | doub | 1.39Å | 1.34Å | Aromatic |
| C8 | C13 | sing | 1.39Å | 1.43Å | Aromatic |
| C1 | O1 | doub | 1.25Å | 1.32Å | |
| C9 | C10 | sing | 1.38Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.36Å | Aromatic |
| C10 | C11 | doub | 1.37Å | 1.37Å | Aromatic |
| C12 | C11 | sing | 1.37Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 0.96Å | 1.08Å | |
| C7 | H3 | sing | 0.94Å | 1.08Å | |
| C20 | H5 | sing | 0.94Å | 1.08Å | |
| C9 | H6 | sing | 0.94Å | 1.08Å | |
| C10 | H7 | sing | 0.94Å | 1.08Å | |
| C13 | H8 | sing | 0.94Å | 1.08Å | |
| C16 | H9 | sing | 0.94Å | 1.08Å | |
| C17 | H10 | sing | 0.94Å | 1.08Å | |
| C11 | H11 | sing | 0.94Å | 1.08Å | |
| C12 | H12 | sing | 0.94Å | 1.08Å | |
| C18 | H13 | sing | 0.94Å | 1.08Å | |
| C19 | H14 | sing | 0.94Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C18 | C19 | 118.2° | 119.6° |
| C18 | C17 | C16 | 110.7° | 120.5° |
| C18 | C17 | H10 | 124.7° | 119.9° |
| C17 | C18 | H13 | 120.9° | 120.2° |
| C18 | C19 | C20 | 126.0° | 120.5° |
| C19 | C18 | H13 | 120.9° | 120.2° |
| C18 | C19 | H14 | 117.0° | 119.9° |
| C17 | C16 | C15 | 138.0° | 120.7° |
| C17 | C16 | H9 | 111.0° | 119.5° |
| C16 | C17 | H10 | 124.7° | 119.6° |
| C19 | C20 | C15 | 119.5° | 120.7° |
| C19 | C20 | H5 | 120.3° | 119.4° |
| C20 | C19 | H14 | 117.0° | 119.7° |
| C16 | C15 | C20 | 107.5° | 117.9° |
| C16 | C15 | N2 | 128.2° | 117.9° |
| C15 | C16 | H9 | 111.0° | 119.8° |
| C20 | C15 | N2 | 124.3° | 124.2° |
| C15 | C20 | H5 | 120.2° | 119.9° |
| C15 | N2 | RU2 | 127.0° | 112.9° |
| C15 | N2 | C7 | 111.5° | 130.1° |
| RU2 | N2 | C7 | 119.6° | 116.1° |
| N2 | RU2 | O2 | 88.9° | 98.5° |
| N2 | RU2 | RU1 | 89.4° | 86.5° |
| N2 | C7 | N1 | 119.8° | 121.8° |
| N2 | C7 | H3 | 120.1° | 119.2° |
| O2 | RU2 | RU1 | 89.1° | 89.6° |
| RU2 | O2 | C1 | 120.6° | 108.3° |
| RU2 | RU1 | N1 | 90.2° | 79.8° |
| RU2 | RU1 | O1 | 90.0° | 72.4° |
| C7 | N1 | RU1 | 119.9° | 115.1° |
| C7 | N1 | C8 | 116.6° | 130.4° |
| N1 | C7 | H3 | 120.1° | 119.1° |
| O2 | C1 | O1 | 120.6° | 127.0° |
| O2 | C1 | H1 | 119.7° | 116.4° |
| RU1 | N1 | C8 | 122.9° | 112.0° |
| N1 | RU1 | O1 | 87.4° | 94.6° |
| N1 | C8 | C9 | 120.2° | 117.5° |
| N1 | C8 | C13 | 120.4° | 124.4° |
| RU1 | O1 | C1 | 118.6° | 116.3° |
| C9 | C8 | C13 | 119.4° | 118.1° |
| C8 | C9 | C10 | 119.9° | 120.7° |
| C8 | C9 | H6 | 120.1° | 119.8° |
| C8 | C13 | C12 | 121.4° | 120.7° |
| C8 | C13 | H8 | 119.3° | 119.9° |
| O1 | C1 | H1 | 119.7° | 116.5° |
| C9 | C10 | C11 | 121.0° | 120.5° |
| C10 | C9 | H6 | 120.1° | 119.5° |
| C9 | C10 | H7 | 119.5° | 119.6° |
| C13 | C12 | C11 | 117.0° | 120.5° |
| C12 | C13 | H8 | 119.3° | 119.5° |
| C13 | C12 | H12 | 121.5° | 119.6° |
| C10 | C11 | C12 | 121.2° | 119.6° |
| C11 | C10 | H7 | 119.5° | 119.9° |
| C10 | C11 | H11 | 119.4° | 120.2° |
| C12 | C11 | H11 | 119.4° | 120.2° |
| C11 | C12 | H12 | 121.5° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C18 | C19 | H13 | 180.0° | 179.9° |
| C18 | C17 | C16 | H10 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 2.9° | 0.0° |
| C18 | C17 | C16 | C15 | 3.4° | 0.2° |
| C18 | C17 | C16 | H9 | 176.6° | 179.9° |
| C17 | C18 | C19 | H14 | 177.1° | 180.0° |
| C19 | C18 | C17 | C16 | 0.0° | 0.0° |
| C18 | C19 | C20 | H14 | 180.0° | 179.9° |
| C18 | C19 | C20 | C15 | 3.0° | 0.0° |
| C18 | C19 | C20 | H5 | 176.9° | 180.0° |
| C19 | C18 | C17 | H10 | 180.0° | 180.0° |
| C17 | C16 | C15 | H9 | 180.0° | 179.7° |
| C17 | C16 | C15 | C20 | 3.2° | 0.2° |
| C17 | C16 | C15 | N2 | 176.0° | 180.0° |
| C16 | C17 | C18 | H13 | 180.0° | 179.9° |
| C19 | C20 | C15 | C16 | 0.3° | 0.1° |
| C19 | C20 | C15 | H5 | 180.0° | 180.0° |
| C19 | C20 | C15 | N2 | 179.6° | 179.9° |
| C20 | C19 | C18 | H13 | 177.2° | 180.0° |
| C16 | C15 | C20 | N2 | 179.2° | 179.7° |
| C16 | C15 | N2 | RU2 | 33.8° | 14.0° |
| C16 | C15 | N2 | C7 | 162.1° | 177.6° |
| C16 | C15 | C20 | H5 | 179.7° | 179.9° |
| C15 | C16 | C17 | H10 | 176.7° | 179.9° |
| C20 | C15 | N2 | RU2 | 145.3° | 165.7° |
| C20 | C15 | N2 | C7 | 18.8° | 2.7° |
| C20 | C15 | C16 | H9 | 176.8° | 179.9° |
| C15 | C20 | C19 | H14 | 176.9° | 179.9° |
| C15 | N2 | RU2 | C7 | 163.0° | 170.1° |
| C15 | N2 | RU2 | O2 | 97.6° | 114.6° |
| C15 | N2 | RU2 | RU1 | 173.2° | 156.3° |
| C15 | N2 | C7 | N1 | 178.4° | 175.7° |
| C15 | N2 | C7 | H3 | 1.6° | 4.2° |
| N2 | C15 | C20 | H5 | 0.4° | 0.1° |
| N2 | C15 | C16 | H9 | 4.0° | 0.3° |
| N2 | RU2 | O2 | RU1 | 89.4° | 86.4° |
| RU2 | N2 | C7 | N1 | 12.9° | 16.2° |
| N2 | RU2 | O2 | C1 | 86.2° | 129.1° |
| N2 | RU2 | RU1 | N1 | 4.2° | 36.3° |
| N2 | RU2 | RU1 | O1 | 83.2° | 134.5° |
| RU2 | N2 | C7 | H3 | 167.1° | 163.9° |
| C7 | N2 | RU2 | O2 | 99.4° | 55.5° |
| C7 | N2 | RU2 | RU1 | 10.2° | 33.6° |
| N2 | C7 | N1 | H3 | 180.0° | 179.9° |
| N2 | C7 | N1 | RU1 | 8.0° | 26.7° |
| N2 | C7 | N1 | C8 | 179.1° | 173.0° |
| O2 | RU2 | RU1 | N1 | 93.2° | 62.2° |
| O2 | RU2 | RU1 | O1 | 5.8° | 36.0° |
| RU2 | O2 | C1 | O1 | 3.9° | 19.2° |
| RU2 | O2 | C1 | H1 | 176.0° | 160.7° |
| RU2 | RU1 | N1 | C7 | 0.2° | 36.5° |
| RU1 | RU2 | O2 | C1 | 3.3° | 42.8° |
| RU2 | RU1 | N1 | O1 | 90.0° | 71.2° |
| RU2 | RU1 | N1 | C8 | 170.7° | 159.6° |
| RU2 | RU1 | O1 | C1 | 10.3° | 42.0° |
| C7 | N1 | RU1 | C8 | 170.5° | 164.0° |
| C7 | N1 | RU1 | O1 | 90.3° | 107.6° |
| C7 | N1 | C8 | C9 | 124.5° | 179.0° |
| C7 | N1 | C8 | C13 | 55.5° | 0.9° |
| O2 | C1 | O1 | RU1 | 10.5° | 23.8° |
| O2 | C1 | O1 | H1 | 180.0° | 179.9° |
| RU1 | N1 | C8 | C9 | 46.2° | 20.2° |
| RU1 | N1 | C8 | C13 | 133.8° | 159.9° |
| N1 | RU1 | O1 | C1 | 100.5° | 35.8° |
| RU1 | N1 | C7 | H3 | 172.0° | 153.2° |
| C8 | N1 | RU1 | O1 | 99.3° | 88.4° |
| N1 | C8 | C9 | C13 | 180.0° | 179.9° |
| N1 | C8 | C9 | C10 | 178.2° | 180.0° |
| N1 | C8 | C13 | C12 | 177.8° | 180.0° |
| C8 | N1 | C7 | H3 | 0.9° | 7.2° |
| N1 | C8 | C9 | H6 | 1.8° | 0.1° |
| N1 | C8 | C13 | H8 | 2.2° | 0.1° |
| RU1 | O1 | C1 | H1 | 169.5° | 156.3° |
| C8 | C9 | C10 | H6 | 180.0° | 179.9° |
| C9 | C8 | C13 | C12 | 2.2° | 0.1° |
| C8 | C9 | C10 | C11 | 1.5° | 0.0° |
| C8 | C9 | C10 | H7 | 178.5° | 180.0° |
| C9 | C8 | C13 | H8 | 177.8° | 179.9° |
| C13 | C8 | C9 | C10 | 1.8° | 0.0° |
| C8 | C13 | C12 | H8 | 180.0° | 179.9° |
| C8 | C13 | C12 | C11 | 2.1° | 0.1° |
| C13 | C8 | C9 | H6 | 178.1° | 179.9° |
| C8 | C13 | C12 | H12 | 177.9° | 180.0° |
| C9 | C10 | C11 | H7 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 1.5° | 0.0° |
| C9 | C10 | C11 | H11 | 178.5° | 180.0° |
| C13 | C12 | C11 | C10 | 1.8° | 0.0° |
| C13 | C12 | C11 | H12 | 180.0° | 180.0° |
| C13 | C12 | C11 | H11 | 178.3° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C11 | C10 | C9 | H6 | 178.4° | 179.9° |
| C10 | C11 | C12 | H12 | 178.2° | 180.0° |
| C12 | C11 | C10 | H7 | 178.5° | 180.0° |
| C11 | C12 | C13 | H8 | 177.9° | 180.0° |
| H5 | C20 | C19 | H14 | 3.1° | 0.1° |
| H6 | C9 | C10 | H7 | 1.6° | 0.1° |
| H7 | C10 | C11 | H11 | 1.5° | 0.0° |
| H8 | C13 | C12 | H12 | 2.1° | 0.1° |
| H9 | C16 | C17 | H10 | 3.3° | 0.2° |
| H10 | C17 | C18 | H13 | 0.0° | 0.1° |
| H11 | C11 | C12 | H12 | 1.8° | 0.0° |
| H13 | C18 | C19 | H14 | 2.8° | 0.1° |
