UUN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | S | sing | 1.81Å | 1.81Å | |
| C | C1 | sing | 1.51Å | 1.52Å | |
| N | O | sing | 1.42Å | 1.39Å | |
| N | C1 | sing | 1.35Å | 1.32Å | |
| S | C2 | sing | 1.76Å | 1.76Å | |
| C1 | O1 | doub | 1.21Å | 1.23Å | |
| N1 | C2 | sing | 1.36Å | 1.37Å | |
| N1 | C3 | sing | 1.35Å | 1.39Å | |
| C2 | N2 | doub | 1.32Å | 1.31Å | |
| N2 | C5 | sing | 1.34Å | 1.38Å | |
| O2 | C3 | doub | 1.22Å | 1.24Å | |
| C3 | C4 | sing | 1.40Å | 1.42Å | |
| C4 | C5 | doub | 1.39Å | 1.38Å | |
| C5 | C6 | sing | 1.48Å | 1.47Å | |
| C6 | C7 | doub | 1.39Å | 1.39Å | Aromatic |
| C6 | C11 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C8 | sing | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| O | HO | sing | 0.97Å | 0.95Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| S | C | C1 | 118.2° | 109.4° |
| C | S | C2 | 103.3° | 100.0° |
| S | C | H | 107.2° | 109.4° |
| S | C | HA | 107.3° | 109.5° |
| C | C1 | N | 114.7° | 120.0° |
| C | C1 | O1 | 121.7° | 120.0° |
| C1 | C | H | 107.3° | 109.5° |
| C1 | C | HA | 107.2° | 109.5° |
| O | N | C1 | 119.0° | 120.0° |
| O | N | HN | 120.5° | 120.0° |
| N | O | HO | 109.5° | 114.0° |
| N | C1 | O1 | 123.6° | 120.0° |
| C1 | N | HN | 120.5° | 120.0° |
| S | C2 | N1 | 117.5° | 119.3° |
| S | C2 | N2 | 119.5° | 119.3° |
| C2 | N1 | C3 | 121.9° | 120.2° |
| N1 | C2 | N2 | 122.9° | 121.3° |
| C2 | N1 | HN1 | 119.1° | 119.9° |
| N1 | C3 | O2 | 119.3° | 120.6° |
| N1 | C3 | C4 | 115.2° | 118.8° |
| C3 | N1 | HN1 | 119.0° | 119.9° |
| C2 | N2 | C5 | 117.9° | 121.2° |
| N2 | C5 | C4 | 122.1° | 119.7° |
| N2 | C5 | C6 | 116.6° | 120.1° |
| O2 | C3 | C4 | 125.5° | 120.6° |
| C3 | C4 | C5 | 119.8° | 118.7° |
| C3 | C4 | H4 | 120.1° | 120.7° |
| C4 | C5 | C6 | 121.2° | 120.2° |
| C5 | C4 | H4 | 120.1° | 120.6° |
| C5 | C6 | C7 | 120.6° | 120.1° |
| C5 | C6 | C11 | 120.6° | 120.1° |
| C7 | C6 | C11 | 118.8° | 119.8° |
| C6 | C7 | C8 | 120.5° | 119.8° |
| C6 | C7 | H7 | 119.7° | 120.1° |
| C6 | C11 | C10 | 120.4° | 119.9° |
| C6 | C11 | H11 | 119.8° | 120.1° |
| C7 | C8 | C9 | 120.2° | 120.2° |
| C8 | C7 | H7 | 119.8° | 120.1° |
| C7 | C8 | H8 | 119.9° | 119.9° |
| C8 | C9 | C10 | 120.0° | 120.2° |
| C9 | C8 | H8 | 119.9° | 119.9° |
| C8 | C9 | H9 | 120.0° | 119.9° |
| C9 | C10 | C11 | 120.1° | 120.1° |
| C10 | C9 | H9 | 120.0° | 119.9° |
| C9 | C10 | H10 | 119.9° | 119.9° |
| C11 | C10 | H10 | 119.9° | 119.9° |
| C10 | C11 | H11 | 119.8° | 120.1° |
| H | C | HA | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| S | C | C1 | H | 121.2° | 119.9° |
| S | C | C1 | HA | 121.3° | 120.0° |
| S | C | C1 | N | 17.7° | 180.0° |
| S | C | C1 | O1 | 162.3° | 0.0° |
| C | S | C2 | N1 | 178.4° | 180.0° |
| C | S | C2 | N2 | 1.1° | 0.0° |
| S | C | H | HA | 116.1° | 120.0° |
| C | C1 | N | O | 167.2° | 180.0° |
| C | C1 | N | O1 | 180.0° | 180.0° |
| C1 | C | S | C2 | 62.7° | 180.0° |
| C1 | C | H | HA | 116.0° | 120.0° |
| C | C1 | N | HN | 12.8° | 0.0° |
| O | N | C1 | HN | 180.0° | 180.0° |
| O | N | C1 | O1 | 12.9° | 0.0° |
| N | C1 | C | H | 103.6° | 60.0° |
| N | C1 | C | HA | 138.9° | 60.0° |
| C1 | N | O | HO | 5.8° | 180.0° |
| S | C2 | N1 | N2 | 179.5° | 180.0° |
| S | C2 | N1 | C3 | 179.5° | 180.0° |
| S | C2 | N2 | C5 | 178.8° | 180.0° |
| C2 | S | C | H | 176.0° | 60.0° |
| C2 | S | C | HA | 58.5° | 60.0° |
| S | C2 | N1 | HN1 | 0.5° | 0.3° |
| O1 | C1 | C | H | 76.5° | 119.9° |
| O1 | C1 | C | HA | 41.0° | 120.0° |
| O1 | C1 | N | HN | 167.1° | 180.0° |
| C2 | N1 | C3 | HN1 | 180.0° | 179.6° |
| N1 | C2 | N2 | C5 | 0.6° | 0.0° |
| C2 | N1 | C3 | O2 | 179.5° | 180.0° |
| C2 | N1 | C3 | C4 | 0.4° | 0.1° |
| C3 | N1 | C2 | N2 | 0.0° | 0.1° |
| N1 | C3 | O2 | C4 | 179.8° | 179.9° |
| N1 | C3 | C4 | C5 | 0.1° | 0.0° |
| N1 | C3 | C4 | H4 | 179.9° | 180.0° |
| C2 | N2 | C5 | C4 | 0.9° | 0.0° |
| C2 | N2 | C5 | C6 | 177.9° | 180.0° |
| N2 | C2 | N1 | HN1 | 180.0° | 179.7° |
| N2 | C5 | C4 | C3 | 0.5° | 0.0° |
| N2 | C5 | C4 | C6 | 178.7° | 180.0° |
| N2 | C5 | C6 | C7 | 155.2° | 0.0° |
| N2 | C5 | C6 | C11 | 23.9° | 179.7° |
| N2 | C5 | C4 | H4 | 179.4° | 179.9° |
| O2 | C3 | C4 | C5 | 179.7° | 179.9° |
| O2 | C3 | N1 | HN1 | 0.5° | 0.4° |
| O2 | C3 | C4 | H4 | 0.2° | 0.1° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | C6 | 178.2° | 180.0° |
| C4 | C3 | N1 | HN1 | 179.6° | 179.7° |
| C4 | C5 | C6 | C7 | 23.5° | 180.0° |
| C4 | C5 | C6 | C11 | 157.3° | 0.3° |
| C5 | C6 | C7 | C11 | 179.2° | 179.8° |
| C5 | C6 | C7 | C8 | 179.1° | 180.0° |
| C5 | C6 | C11 | C10 | 178.7° | 179.7° |
| C6 | C5 | C4 | H4 | 1.9° | 0.1° |
| C5 | C6 | C7 | H7 | 1.0° | 0.0° |
| C5 | C6 | C11 | H11 | 1.3° | 0.0° |
| C6 | C7 | C8 | H7 | 180.0° | 180.0° |
| C6 | C7 | C8 | C9 | 0.3° | 0.1° |
| C7 | C6 | C11 | C10 | 0.5° | 0.6° |
| C6 | C7 | C8 | H8 | 179.7° | 180.0° |
| C7 | C6 | C11 | H11 | 179.6° | 179.7° |
| C11 | C6 | C7 | C8 | 0.1° | 0.2° |
| C6 | C11 | C10 | C9 | 0.4° | 0.6° |
| C6 | C11 | C10 | H11 | 180.0° | 179.7° |
| C11 | C6 | C7 | H7 | 179.9° | 179.7° |
| C6 | C11 | C10 | H10 | 179.6° | 179.7° |
| C7 | C8 | C9 | H8 | 180.0° | 179.9° |
| C7 | C8 | C9 | C10 | 0.4° | 0.1° |
| C7 | C8 | C9 | H9 | 179.6° | 179.9° |
| C8 | C9 | C10 | H9 | 180.0° | 180.0° |
| C8 | C9 | C10 | C11 | 0.0° | 0.2° |
| C9 | C8 | C7 | H7 | 179.7° | 180.0° |
| C8 | C9 | C10 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C10 | C9 | C8 | H8 | 179.6° | 180.0° |
| C9 | C10 | C11 | H11 | 179.6° | 179.7° |
| C11 | C10 | C9 | H9 | 180.0° | 179.7° |
| HN | N | O | HO | 174.2° | 0.0° |
| H7 | C7 | C8 | H8 | 0.3° | 0.1° |
| H8 | C8 | C9 | H9 | 0.4° | 0.0° |
| H9 | C9 | C10 | H10 | 0.0° | 0.0° |
| H10 | C10 | C11 | H11 | 0.4° | 0.0° |
