RU4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C3 | sing | 1.35Å | 1.34Å | |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| O1 | C3 | doub | 1.22Å | 1.21Å | |
| C3 | O2 | sing | 1.35Å | 1.38Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| O2 | C4 | sing | 1.36Å | 1.40Å | |
| C4 | C9 | doub | 1.39Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.39Å | Aromatic |
| C9 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C7 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | C10 | sing | 1.48Å | 1.47Å | |
| C10 | C11 | doub | 1.36Å | 1.35Å | Aromatic |
| C10 | N3 | sing | 1.32Å | 1.41Å | Aromatic |
| C11 | S1 | sing | 1.72Å | 1.71Å | Aromatic |
| N3 | N2 | doub | 1.28Å | 1.27Å | Aromatic |
| S1 | N2 | sing | 1.56Å | 1.70Å | Aromatic |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C5 | H3 | sing | 1.08Å | 1.08Å | |
| C6 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | 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 | |
| C11 | H10 | sing | 1.08Å | 1.08Å | |
| C2 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C9 | H14 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C3 | N1 | C2 | 123.2° | 120.0° |
| N1 | C3 | O1 | 126.2° | 120.0° |
| N1 | C3 | O2 | 111.3° | 120.0° |
| C3 | N1 | H1 | 118.4° | 120.0° |
| N1 | C2 | C1 | 111.3° | 109.5° |
| C2 | N1 | H1 | 118.4° | 120.0° |
| N1 | C2 | H12 | 109.0° | 109.4° |
| N1 | C2 | H13 | 109.0° | 109.4° |
| O1 | C3 | O2 | 122.5° | 120.0° |
| C3 | O2 | C4 | 116.8° | 117.1° |
| C2 | C1 | H7 | 109.5° | 109.4° |
| C2 | C1 | H8 | 109.5° | 109.4° |
| C2 | C1 | H9 | 109.5° | 109.5° |
| C1 | C2 | H12 | 109.0° | 109.5° |
| C1 | C2 | H13 | 109.0° | 109.5° |
| O2 | C4 | C9 | 119.7° | 120.0° |
| O2 | C4 | C5 | 120.3° | 119.9° |
| C9 | C4 | C5 | 120.0° | 120.1° |
| C4 | C9 | C8 | 119.8° | 120.1° |
| C4 | C9 | H14 | 120.1° | 120.0° |
| C4 | C5 | C6 | 120.0° | 120.1° |
| C4 | C5 | H3 | 120.0° | 119.9° |
| C9 | C8 | C7 | 120.9° | 119.9° |
| C9 | C8 | H5 | 119.5° | 120.0° |
| C8 | C9 | H14 | 120.1° | 120.0° |
| C5 | C6 | C7 | 120.7° | 119.9° |
| C6 | C5 | H3 | 120.0° | 120.0° |
| C5 | C6 | H4 | 119.7° | 120.1° |
| C8 | C7 | C6 | 118.6° | 119.9° |
| C8 | C7 | C10 | 120.5° | 120.0° |
| C7 | C8 | H5 | 119.6° | 120.1° |
| C6 | C7 | C10 | 120.9° | 120.0° |
| C7 | C6 | H4 | 119.6° | 120.1° |
| C7 | C10 | C11 | 127.1° | 124.0° |
| C7 | C10 | N3 | 120.5° | 123.9° |
| C11 | C10 | N3 | 112.5° | 112.1° |
| C10 | C11 | S1 | 109.2° | 104.1° |
| C10 | C11 | H10 | 125.4° | 127.9° |
| C10 | N3 | N2 | 111.0° | 118.2° |
| C11 | S1 | N2 | 89.7° | 96.1° |
| S1 | C11 | H10 | 125.4° | 128.0° |
| N3 | N2 | S1 | 112.0° | 109.5° |
| H7 | C1 | H8 | 109.4° | 109.4° |
| H7 | C1 | H9 | 109.5° | 109.5° |
| H8 | C1 | H9 | 109.5° | 109.5° |
| H12 | C2 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C3 | N1 | C2 | H1 | 180.0° | 179.7° |
| N1 | C3 | O1 | O2 | 177.0° | 179.9° |
| C3 | N1 | C2 | C1 | 97.9° | 180.0° |
| N1 | C3 | O2 | C4 | 130.5° | 174.1° |
| C3 | N1 | C2 | H12 | 22.3° | 59.9° |
| C3 | N1 | C2 | H13 | 141.8° | 60.0° |
| C2 | N1 | C3 | O1 | 153.0° | 0.1° |
| C2 | N1 | C3 | O2 | 29.7° | 180.0° |
| N1 | C2 | C1 | H12 | 120.3° | 120.0° |
| N1 | C2 | C1 | H13 | 120.3° | 120.0° |
| N1 | C2 | C1 | H7 | 180.0° | 59.9° |
| N1 | C2 | C1 | H8 | 60.0° | 60.0° |
| N1 | C2 | C1 | H9 | 60.0° | 180.0° |
| N1 | C2 | H12 | H13 | 119.1° | 119.9° |
| O1 | C3 | O2 | C4 | 52.2° | 6.0° |
| O1 | C3 | N1 | H1 | 27.0° | 179.7° |
| C3 | O2 | C4 | C9 | 117.4° | 110.0° |
| C3 | O2 | C4 | C5 | 62.3° | 70.2° |
| O2 | C3 | N1 | H1 | 150.3° | 0.4° |
| C1 | C2 | N1 | H1 | 82.1° | 0.3° |
| C2 | C1 | H7 | H8 | 120.0° | 119.9° |
| C2 | C1 | H7 | H9 | 120.0° | 120.1° |
| C2 | C1 | H8 | H9 | 120.0° | 120.1° |
| C1 | C2 | H12 | H13 | 119.1° | 120.0° |
| O2 | C4 | C9 | C5 | 179.6° | 179.8° |
| O2 | C4 | C9 | C8 | 179.8° | 179.8° |
| O2 | C4 | C5 | C6 | 179.8° | 179.7° |
| O2 | C4 | C5 | H3 | 0.2° | 0.2° |
| O2 | C4 | C9 | H14 | 0.2° | 0.3° |
| C4 | C9 | C8 | H14 | 180.0° | 180.0° |
| C9 | C4 | C5 | C6 | 0.2° | 0.1° |
| C4 | C9 | C8 | C7 | 0.1° | 0.0° |
| C9 | C4 | C5 | H3 | 179.8° | 180.0° |
| C4 | C9 | C8 | H5 | 179.9° | 180.0° |
| C5 | C4 | C9 | C8 | 0.2° | 0.0° |
| C4 | C5 | C6 | H3 | 180.0° | 180.0° |
| C4 | C5 | C6 | C7 | 0.2° | 0.1° |
| C4 | C5 | C6 | H4 | 179.8° | 180.0° |
| C5 | C4 | C9 | H14 | 179.8° | 180.0° |
| C9 | C8 | C7 | H5 | 180.0° | 179.9° |
| C9 | C8 | C7 | C6 | 0.4° | 0.0° |
| C9 | C8 | C7 | C10 | 179.6° | 180.0° |
| C5 | C6 | C7 | C8 | 0.5° | 0.0° |
| C5 | C6 | C7 | H4 | 180.0° | 179.9° |
| C5 | C6 | C7 | C10 | 179.7° | 179.9° |
| C8 | C7 | C6 | C10 | 179.2° | 180.0° |
| C8 | C7 | C10 | C11 | 31.9° | 0.0° |
| C8 | C7 | C10 | N3 | 148.6° | 179.9° |
| C8 | C7 | C6 | H4 | 179.5° | 179.9° |
| C7 | C8 | C9 | H14 | 179.9° | 180.0° |
| C6 | C7 | C10 | C11 | 147.3° | 180.0° |
| C6 | C7 | C10 | N3 | 32.2° | 0.1° |
| C7 | C6 | C5 | H3 | 179.8° | 180.0° |
| C6 | C7 | C8 | H5 | 179.5° | 180.0° |
| C7 | C10 | C11 | N3 | 179.5° | 180.0° |
| C7 | C10 | C11 | S1 | 179.8° | 180.0° |
| C7 | C10 | N3 | N2 | 163.8° | 180.0° |
| C10 | C7 | C6 | H4 | 0.3° | 0.0° |
| C10 | C7 | C8 | H5 | 0.3° | 0.1° |
| C7 | C10 | C11 | H10 | 0.2° | 0.1° |
| C10 | C11 | S1 | H10 | 180.0° | 180.0° |
| C11 | C10 | N3 | N2 | 15.7° | 0.0° |
| C10 | C11 | S1 | N2 | 11.8° | 0.0° |
| N3 | C10 | C11 | S1 | 0.7° | 0.0° |
| C10 | N3 | N2 | S1 | 25.1° | 0.0° |
| N3 | C10 | C11 | H10 | 179.3° | 180.0° |
| C11 | S1 | N2 | N3 | 21.8° | 0.0° |
| N2 | S1 | C11 | H10 | 168.2° | 180.0° |
| H1 | N1 | C2 | H12 | 157.7° | 119.7° |
| H1 | N1 | C2 | H13 | 38.2° | 120.3° |
| H3 | C5 | C6 | H4 | 0.2° | 0.1° |
| H5 | C8 | C9 | H14 | 0.1° | 0.1° |
| H7 | C1 | H8 | H9 | 120.0° | 120.0° |
| H7 | C1 | C2 | H12 | 59.7° | 179.9° |
| H7 | C1 | C2 | H13 | 59.7° | 60.1° |
| H8 | C1 | C2 | H12 | 179.7° | 60.0° |
| H8 | C1 | C2 | H13 | 60.3° | 180.0° |
| H9 | C1 | C2 | H12 | 60.3° | 60.0° |
| H9 | C1 | C2 | H13 | 179.7° | 60.0° |
