RU5
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N1 | sing | 1.35Å | 1.45Å | |
| C1 | C2 | sing | 1.48Å | 1.52Å | |
| C1 | OAB | doub | 1.22Å | 1.18Å | |
| O1 | C12 | sing | 1.36Å | 1.40Å | |
| O1 | C15 | sing | 1.36Å | 1.40Å | |
| C2 | C3 | doub | 1.39Å | 1.31Å | Aromatic |
| C2 | C8 | sing | 1.40Å | 1.52Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.53Å | Aromatic |
| N3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | C5 | sing | 1.37Å | 1.42Å | Aromatic |
| C4 | C6 | doub | 1.41Å | 1.31Å | Aromatic |
| N4 | C5 | doub | 1.31Å | 1.28Å | Aromatic |
| N4 | C6 | sing | 1.35Å | 1.50Å | Aromatic |
| C5 | C9 | sing | 1.48Å | 1.53Å | |
| C6 | C7 | sing | 1.40Å | 1.53Å | Aromatic |
| C7 | C8 | doub | 1.36Å | 1.31Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.53Å | Aromatic |
| C9 | C14 | sing | 1.40Å | 1.31Å | Aromatic |
| CLA | C18 | sing | 1.74Å | 1.78Å | |
| C10 | C11 | sing | 1.38Å | 1.32Å | Aromatic |
| C11 | C12 | doub | 1.39Å | 1.53Å | Aromatic |
| C12 | C13 | sing | 1.39Å | 1.31Å | Aromatic |
| C13 | C14 | doub | 1.38Å | 1.52Å | Aromatic |
| C15 | C16 | doub | 1.39Å | 1.31Å | Aromatic |
| C15 | C20 | sing | 1.39Å | 1.53Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.53Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.31Å | Aromatic |
| C18 | C19 | sing | 1.38Å | 1.53Å | Aromatic |
| C19 | C20 | doub | 1.38Å | 1.32Å | Aromatic |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| N1 | HN1A | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N1 | C1 | C2 | 119.7° | 120.0° |
| N1 | C1 | OAB | 119.9° | 120.0° |
| C1 | N1 | HN1 | 120.0° | 120.0° |
| C1 | N1 | HN1A | 120.0° | 120.0° |
| C2 | C1 | OAB | 120.4° | 120.0° |
| C1 | C2 | C3 | 119.7° | 119.9° |
| C1 | C2 | C8 | 120.4° | 119.9° |
| C12 | O1 | C15 | 110.5° | 118.0° |
| O1 | C12 | C11 | 120.6° | 119.9° |
| O1 | C12 | C13 | 119.3° | 119.9° |
| O1 | C15 | C16 | 119.9° | 120.0° |
| O1 | C15 | C20 | 120.1° | 120.1° |
| C3 | C2 | C8 | 119.9° | 120.2° |
| C2 | C3 | C4 | 120.0° | 119.6° |
| C2 | C3 | H3 | 120.0° | 120.2° |
| C2 | C8 | C7 | 120.0° | 120.5° |
| C2 | C8 | H8 | 120.0° | 119.8° |
| C3 | C4 | N3 | 132.2° | 133.9° |
| C3 | C4 | C6 | 120.2° | 120.0° |
| C4 | C3 | H3 | 120.0° | 120.2° |
| C4 | N3 | C5 | 108.6° | 107.1° |
| N3 | C4 | C6 | 107.7° | 106.1° |
| C4 | N3 | HN3 | 125.7° | 126.5° |
| N3 | C5 | N4 | 107.9° | 109.7° |
| N3 | C5 | C9 | 125.4° | 125.1° |
| C5 | N3 | HN3 | 125.7° | 126.4° |
| C4 | C6 | N4 | 107.9° | 107.2° |
| C4 | C6 | C7 | 119.9° | 119.7° |
| C5 | N4 | C6 | 107.9° | 109.8° |
| N4 | C5 | C9 | 126.6° | 125.2° |
| N4 | C6 | C7 | 132.2° | 133.1° |
| C5 | C9 | C10 | 120.8° | 120.1° |
| C5 | C9 | C14 | 119.2° | 120.1° |
| C6 | C7 | C8 | 120.0° | 120.1° |
| C6 | C7 | H7 | 120.0° | 120.0° |
| C8 | C7 | H7 | 120.0° | 119.9° |
| C7 | C8 | H8 | 120.0° | 119.7° |
| C10 | C9 | C14 | 120.0° | 119.8° |
| C9 | C10 | C11 | 119.9° | 119.9° |
| C9 | C10 | H10 | 120.1° | 120.0° |
| C9 | C14 | C13 | 120.1° | 120.0° |
| C9 | C14 | H14 | 119.9° | 120.0° |
| CLA | C18 | C17 | 119.8° | 119.9° |
| CLA | C18 | C19 | 120.1° | 120.0° |
| C10 | C11 | C12 | 120.0° | 120.1° |
| C11 | C10 | H10 | 120.1° | 120.1° |
| C10 | C11 | H11 | 120.0° | 119.9° |
| C11 | C12 | C13 | 120.1° | 120.1° |
| C12 | C11 | H11 | 120.0° | 119.9° |
| C12 | C13 | C14 | 119.9° | 120.1° |
| C12 | C13 | H13 | 120.0° | 120.0° |
| C14 | C13 | H13 | 120.0° | 119.9° |
| C13 | C14 | H14 | 120.0° | 120.0° |
| C16 | C15 | C20 | 120.1° | 119.9° |
| C15 | C16 | C17 | 120.0° | 120.0° |
| C15 | C16 | H16 | 120.0° | 120.1° |
| C15 | C20 | C19 | 120.0° | 120.0° |
| C15 | C20 | H20 | 120.0° | 120.0° |
| C16 | C17 | C18 | 119.9° | 120.0° |
| C17 | C16 | H16 | 120.0° | 120.0° |
| C16 | C17 | H17 | 120.1° | 120.0° |
| C17 | C18 | C19 | 120.2° | 120.1° |
| C18 | C17 | H17 | 120.0° | 119.9° |
| C18 | C19 | C20 | 119.9° | 120.1° |
| C18 | C19 | H19 | 120.1° | 120.0° |
| C20 | C19 | H19 | 120.0° | 120.0° |
| C19 | C20 | H20 | 120.0° | 120.0° |
| HN1 | N1 | HN1A | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N1 | C1 | C2 | OAB | 179.8° | 179.6° |
| N1 | C1 | C2 | C3 | 22.3° | 179.9° |
| N1 | C1 | C2 | C8 | 157.7° | 0.4° |
| C1 | N1 | HN1 | HN1A | 180.0° | 179.9° |
| C1 | C2 | C3 | C8 | 180.0° | 179.7° |
| C1 | C2 | C3 | C4 | 179.9° | 179.9° |
| C1 | C2 | C8 | C7 | 179.9° | 179.7° |
| C2 | C1 | N1 | HN1 | 179.8° | 0.1° |
| C2 | C1 | N1 | HN1A | 0.3° | 180.0° |
| C1 | C2 | C3 | H3 | 0.1° | 0.0° |
| C1 | C2 | C8 | H8 | 0.1° | 0.1° |
| OAB | C1 | C2 | C3 | 157.4° | 0.3° |
| OAB | C1 | C2 | C8 | 22.5° | 180.0° |
| OAB | C1 | N1 | HN1 | 0.0° | 179.7° |
| OAB | C1 | N1 | HN1A | 180.0° | 0.4° |
| O1 | C12 | C11 | C10 | 179.4° | 180.0° |
| O1 | C12 | C11 | C13 | 179.0° | 179.9° |
| O1 | C12 | C13 | C14 | 179.3° | 179.7° |
| C12 | O1 | C15 | C16 | 89.1° | 6.2° |
| C12 | O1 | C15 | C20 | 91.4° | 174.1° |
| O1 | C12 | C11 | H11 | 0.6° | 0.0° |
| O1 | C12 | C13 | H13 | 0.7° | 0.1° |
| C15 | O1 | C12 | C11 | 29.8° | 112.6° |
| C15 | O1 | C12 | C13 | 151.2° | 67.3° |
| O1 | C15 | C16 | C20 | 179.5° | 179.7° |
| O1 | C15 | C16 | C17 | 179.7° | 180.0° |
| O1 | C15 | C20 | C19 | 179.8° | 179.8° |
| O1 | C15 | C16 | H16 | 0.3° | 0.1° |
| O1 | C15 | C20 | H20 | 0.3° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 180.0° |
| C2 | C3 | C4 | N3 | 179.9° | 180.0° |
| C2 | C3 | C4 | C6 | 0.0° | 0.0° |
| C3 | C2 | C8 | C7 | 0.1° | 0.6° |
| C3 | C2 | C8 | H8 | 179.9° | 179.8° |
| C8 | C2 | C3 | C4 | 0.0° | 0.3° |
| C2 | C8 | C7 | C6 | 0.1° | 0.6° |
| C2 | C8 | C7 | H8 | 180.0° | 179.7° |
| C8 | C2 | C3 | H3 | 180.0° | 179.7° |
| C2 | C8 | C7 | H7 | 179.9° | 179.7° |
| C3 | C4 | N3 | C6 | 179.9° | 180.0° |
| C3 | C4 | N3 | C5 | 180.0° | 180.0° |
| C3 | C4 | C6 | N4 | 180.0° | 180.0° |
| C3 | C4 | C6 | C7 | 0.0° | 0.0° |
| C3 | C4 | N3 | HN3 | 0.0° | 0.0° |
| C4 | N3 | C5 | HN3 | 180.0° | 179.9° |
| C4 | N3 | C5 | N4 | 0.1° | 0.0° |
| N3 | C4 | C6 | N4 | 0.0° | 0.0° |
| C4 | N3 | C5 | C9 | 179.9° | 180.0° |
| N3 | C4 | C6 | C7 | 179.9° | 180.0° |
| N3 | C4 | C3 | H3 | 0.1° | 0.0° |
| C5 | N3 | C4 | C6 | 0.1° | 0.0° |
| N3 | C5 | N4 | C9 | 179.8° | 180.0° |
| N3 | C5 | N4 | C6 | 0.1° | 0.0° |
| N3 | C5 | C9 | C10 | 161.0° | 180.0° |
| N3 | C5 | C9 | C14 | 20.2° | 0.3° |
| C4 | C6 | N4 | C5 | 0.0° | 0.0° |
| C4 | C6 | N4 | C7 | 180.0° | 180.0° |
| C4 | C6 | C7 | C8 | 0.0° | 0.3° |
| C6 | C4 | C3 | H3 | 180.0° | 180.0° |
| C6 | C4 | N3 | HN3 | 179.9° | 180.0° |
| C4 | C6 | C7 | H7 | 179.9° | 180.0° |
| C5 | N4 | C6 | C7 | 180.0° | 180.0° |
| N4 | C5 | C9 | C10 | 19.3° | 0.0° |
| N4 | C5 | C9 | C14 | 159.5° | 179.7° |
| N4 | C5 | N3 | HN3 | 179.9° | 180.0° |
| C6 | N4 | C5 | C9 | 179.8° | 180.0° |
| N4 | C6 | C7 | C8 | 180.0° | 179.7° |
| N4 | C6 | C7 | H7 | 0.1° | 0.1° |
| C5 | C9 | C10 | C14 | 178.8° | 179.7° |
| C5 | C9 | C10 | C11 | 179.6° | 180.0° |
| C5 | C9 | C14 | C13 | 179.5° | 179.7° |
| C9 | C5 | N3 | HN3 | 0.1° | 0.0° |
| C5 | C9 | C10 | H10 | 0.4° | 0.1° |
| C5 | C9 | C14 | H14 | 0.5° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C6 | C7 | C8 | H8 | 179.9° | 179.8° |
| C9 | C10 | C11 | H10 | 180.0° | 179.9° |
| C9 | C10 | C11 | C12 | 0.6° | 0.0° |
| C10 | C9 | C14 | C13 | 0.7° | 0.6° |
| C9 | C10 | C11 | H11 | 179.4° | 180.0° |
| C10 | C9 | C14 | H14 | 179.3° | 179.7° |
| C14 | C9 | C10 | C11 | 0.8° | 0.3° |
| C9 | C14 | C13 | C12 | 0.5° | 0.6° |
| C9 | C14 | C13 | H14 | 180.0° | 179.7° |
| C14 | C9 | C10 | H10 | 179.1° | 179.8° |
| C9 | C14 | C13 | H13 | 179.5° | 179.7° |
| CLA | C18 | C17 | C16 | 180.0° | 180.0° |
| CLA | C18 | C17 | C19 | 180.0° | 180.0° |
| CLA | C18 | C19 | C20 | 179.9° | 179.7° |
| CLA | C18 | C17 | H17 | 0.0° | 0.0° |
| CLA | C18 | C19 | H19 | 0.1° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.4° | 0.1° |
| C11 | C12 | C13 | C14 | 0.3° | 0.4° |
| C12 | C11 | C10 | H10 | 179.4° | 180.0° |
| C11 | C12 | C13 | H13 | 179.7° | 180.0° |
| C12 | C13 | C14 | H13 | 180.0° | 179.6° |
| C13 | C12 | C11 | H11 | 179.6° | 179.9° |
| C12 | C13 | C14 | H14 | 179.5° | 179.7° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | C18 | 0.1° | 0.0° |
| C16 | C15 | C20 | C19 | 0.2° | 0.5° |
| C15 | C16 | C17 | H17 | 179.8° | 180.0° |
| C16 | C15 | C20 | H20 | 179.8° | 179.7° |
| C20 | C15 | C16 | C17 | 0.2° | 0.3° |
| C15 | C20 | C19 | C18 | 0.2° | 0.5° |
| C15 | C20 | C19 | H20 | 180.0° | 179.8° |
| C20 | C15 | C16 | H16 | 179.8° | 179.8° |
| C15 | C20 | C19 | H19 | 179.8° | 179.7° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 0.1° | 0.0° |
| C17 | C18 | C19 | C20 | 0.1° | 0.3° |
| C18 | C17 | C16 | H16 | 179.9° | 180.0° |
| C17 | C18 | C19 | H19 | 179.9° | 180.0° |
| C18 | C19 | C20 | H19 | 180.0° | 179.8° |
| C19 | C18 | C17 | H17 | 179.9° | 180.0° |
| C18 | C19 | C20 | H20 | 179.9° | 179.7° |
| H7 | C7 | C8 | H8 | 0.1° | 0.0° |
| H10 | C10 | C11 | H11 | 0.7° | 0.0° |
| H13 | C13 | C14 | H14 | 0.5° | 0.1° |
| H16 | C16 | C17 | H17 | 0.1° | 0.0° |
| H19 | C19 | C20 | H20 | 0.1° | 0.1° |
