5UN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C06 | C01 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C01 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | S01 | sing | 1.76Å | 1.76Å | |
| N01 | S01 | sing | 1.66Å | 1.62Å | |
| N01 | HN01 | sing | 0.97Å | 1.00Å | |
| N01 | HN0A | sing | 0.97Å | 1.00Å | |
| S01 | O01 | doub | 1.42Å | 1.44Å | |
| O02 | S01 | doub | 1.42Å | 1.44Å | |
| C03 | C02 | doub | 1.38Å | 1.38Å | Aromatic |
| C02 | H02 | sing | 1.08Å | 1.08Å | |
| C04 | C03 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | H03 | sing | 1.08Å | 1.08Å | |
| N07 | C04 | sing | 1.40Å | 1.43Å | |
| C04 | C05 | doub | 1.39Å | 1.39Å | Aromatic |
| C05 | C06 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | H05 | sing | 1.08Å | 1.08Å | |
| C06 | H06 | sing | 1.08Å | 1.08Å | |
| C08 | N07 | sing | 1.35Å | 1.43Å | |
| N07 | HN07 | sing | 0.97Å | 1.00Å | |
| C09 | C08 | sing | 1.51Å | 1.49Å | |
| C08 | O08 | doub | 1.21Å | 1.22Å | |
| C09 | C10 | sing | 1.51Å | 1.49Å | |
| C09 | H09 | sing | 1.09Å | 1.10Å | |
| C09 | H09A | sing | 1.09Å | 1.10Å | |
| C11 | C10 | doub | 1.33Å | 1.39Å | Aromatic |
| C10 | S14 | sing | 1.76Å | 1.72Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C12 | C13 | doub | 1.33Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| S14 | C13 | sing | 1.76Å | 1.72Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C06 | C01 | C02 | 120.5° | 120.1° |
| C06 | C01 | S01 | 121.6° | 120.0° |
| C01 | C06 | C05 | 119.3° | 120.1° |
| C01 | C06 | H06 | 120.3° | 119.9° |
| C02 | C01 | S01 | 117.9° | 119.9° |
| C01 | C02 | C03 | 120.0° | 120.0° |
| C01 | C02 | H02 | 120.0° | 119.9° |
| C01 | S01 | N01 | 107.6° | 107.2° |
| C01 | S01 | O01 | 108.2° | 106.4° |
| C01 | S01 | O02 | 108.3° | 106.4° |
| S01 | N01 | HN01 | 109.5° | 120.0° |
| S01 | N01 | HN0A | 109.4° | 120.0° |
| N01 | S01 | O01 | 111.3° | 106.4° |
| N01 | S01 | O02 | 112.4° | 106.4° |
| HN01 | N01 | HN0A | 109.5° | 120.0° |
| O01 | S01 | O02 | 109.0° | 123.1° |
| C03 | C02 | H02 | 120.0° | 120.0° |
| C02 | C03 | C04 | 120.2° | 120.0° |
| C02 | C03 | H03 | 119.9° | 120.0° |
| C04 | C03 | H03 | 119.8° | 120.0° |
| C03 | C04 | N07 | 115.2° | 120.1° |
| C03 | C04 | C05 | 120.1° | 119.8° |
| N07 | C04 | C05 | 124.7° | 120.1° |
| C04 | N07 | C08 | 126.8° | 120.1° |
| C04 | N07 | HN07 | 116.6° | 120.0° |
| C04 | C05 | C06 | 119.8° | 120.0° |
| C04 | C05 | H05 | 120.1° | 120.0° |
| C06 | C05 | H05 | 120.1° | 120.0° |
| C05 | C06 | H06 | 120.3° | 120.0° |
| C08 | N07 | HN07 | 116.6° | 120.0° |
| N07 | C08 | C09 | 117.1° | 120.0° |
| N07 | C08 | O08 | 122.6° | 119.9° |
| C09 | C08 | O08 | 120.3° | 120.0° |
| C08 | C09 | C10 | 114.0° | 109.4° |
| C08 | C09 | H09 | 108.0° | 109.4° |
| C08 | C09 | H09A | 108.0° | 109.5° |
| C10 | C09 | H09 | 108.0° | 109.5° |
| C10 | C09 | H09A | 108.0° | 109.5° |
| C09 | C10 | C11 | 127.3° | 125.2° |
| C09 | C10 | S14 | 126.6° | 125.2° |
| H09 | C09 | H09A | 110.9° | 109.5° |
| C11 | C10 | S14 | 106.1° | 109.6° |
| C10 | C11 | C12 | 115.2° | 114.9° |
| C10 | C11 | H11 | 122.4° | 122.6° |
| C10 | S14 | C13 | 97.1° | 90.9° |
| C12 | C11 | H11 | 122.4° | 122.5° |
| C11 | C12 | C13 | 115.5° | 114.9° |
| C11 | C12 | H12 | 122.2° | 122.5° |
| C13 | C12 | H12 | 122.3° | 122.6° |
| C12 | C13 | S14 | 106.1° | 109.6° |
| C12 | C13 | H13 | 127.0° | 125.1° |
| S14 | C13 | H13 | 127.0° | 125.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C06 | C01 | C02 | S01 | 179.2° | 179.8° |
| C06 | C01 | S01 | N01 | 130.3° | 90.2° |
| C06 | C01 | S01 | O01 | 109.4° | 23.3° |
| C06 | C01 | S01 | O02 | 8.6° | 156.2° |
| C06 | C01 | C02 | C03 | 0.5° | 0.2° |
| C06 | C01 | C02 | H02 | 179.5° | 179.7° |
| C01 | C06 | C05 | C04 | 0.1° | 0.5° |
| C01 | C06 | C05 | H06 | 180.0° | 179.5° |
| C01 | C06 | C05 | H05 | 179.9° | 179.8° |
| C02 | C01 | S01 | N01 | 50.5° | 90.0° |
| C02 | C01 | S01 | O01 | 69.8° | 156.5° |
| C02 | C01 | S01 | O02 | 172.2° | 23.6° |
| C01 | C02 | C03 | H02 | 180.0° | 179.9° |
| C01 | C02 | C03 | C04 | 0.5° | 0.0° |
| C01 | C02 | C03 | H03 | 179.5° | 180.0° |
| C02 | C01 | C06 | C05 | 0.2° | 0.5° |
| C02 | C01 | C06 | H06 | 179.8° | 180.0° |
| C01 | S01 | N01 | O01 | 118.4° | 113.5° |
| C01 | S01 | N01 | O02 | 119.1° | 113.6° |
| C01 | S01 | N01 | HN01 | 180.0° | 149.9° |
| C01 | S01 | N01 | HN0A | 60.0° | 30.0° |
| C01 | S01 | O01 | O02 | 117.5° | 122.9° |
| S01 | C01 | C02 | C03 | 179.7° | 180.0° |
| S01 | C01 | C02 | H02 | 0.3° | 0.1° |
| S01 | C01 | C06 | C05 | 179.4° | 179.7° |
| S01 | C01 | C06 | H06 | 0.6° | 0.2° |
| S01 | N01 | HN01 | HN0A | 120.0° | 180.0° |
| N01 | S01 | O01 | O02 | 124.5° | 122.9° |
| HN01 | N01 | S01 | O01 | 61.6° | 36.4° |
| HN01 | N01 | S01 | O02 | 60.9° | 96.4° |
| HN0A | N01 | S01 | O01 | 178.4° | 143.5° |
| HN0A | N01 | S01 | O02 | 59.1° | 83.6° |
| C02 | C03 | C04 | H03 | 180.0° | 179.9° |
| C02 | C03 | C04 | N07 | 179.8° | 180.0° |
| C02 | C03 | C04 | C05 | 0.2° | 0.0° |
| H02 | C02 | C03 | C04 | 179.5° | 180.0° |
| H02 | C02 | C03 | H03 | 0.5° | 0.1° |
| C03 | C04 | N07 | C05 | 179.9° | 180.0° |
| C03 | C04 | C05 | C06 | 0.1° | 0.2° |
| C03 | C04 | C05 | H05 | 179.9° | 180.0° |
| C03 | C04 | N07 | C08 | 179.1° | 33.3° |
| C03 | C04 | N07 | HN07 | 0.9° | 146.7° |
| H03 | C03 | C04 | N07 | 0.2° | 0.0° |
| H03 | C03 | C04 | C05 | 179.8° | 180.0° |
| N07 | C04 | C05 | C06 | 179.9° | 179.8° |
| N07 | C04 | C05 | H05 | 0.1° | 0.0° |
| C04 | N07 | C08 | HN07 | 180.0° | 180.0° |
| C04 | N07 | C08 | C09 | 179.8° | 174.7° |
| C04 | N07 | C08 | O08 | 0.9° | 5.2° |
| C04 | C05 | C06 | H05 | 180.0° | 179.7° |
| C04 | C05 | C06 | H06 | 179.9° | 180.0° |
| C05 | C04 | N07 | C08 | 0.9° | 146.7° |
| C05 | C04 | N07 | HN07 | 179.0° | 33.3° |
| H05 | C05 | C06 | H06 | 0.1° | 0.3° |
| N07 | C08 | C09 | O08 | 179.0° | 179.9° |
| N07 | C08 | C09 | C10 | 91.5° | 180.0° |
| N07 | C08 | C09 | H09 | 28.5° | 60.1° |
| N07 | C08 | C09 | H09A | 148.5° | 59.9° |
| HN07 | N07 | C08 | C09 | 0.2° | 5.3° |
| HN07 | N07 | C08 | O08 | 179.1° | 174.8° |
| C08 | C09 | C10 | H09 | 120.0° | 119.9° |
| C08 | C09 | C10 | H09A | 120.0° | 120.0° |
| C08 | C09 | H09 | H09A | 118.2° | 120.0° |
| C08 | C09 | C10 | C11 | 125.0° | 90.3° |
| C08 | C09 | C10 | S14 | 53.7° | 90.1° |
| O08 | C08 | C09 | C10 | 87.4° | 0.1° |
| O08 | C08 | C09 | H09 | 152.6° | 120.0° |
| O08 | C08 | C09 | H09A | 32.5° | 119.9° |
| C10 | C09 | H09 | H09A | 118.2° | 120.0° |
| C09 | C10 | C11 | S14 | 179.0° | 179.7° |
| C09 | C10 | C11 | C12 | 179.0° | 179.9° |
| C09 | C10 | C11 | H11 | 1.0° | 0.1° |
| C09 | C10 | S14 | C13 | 179.3° | 180.0° |
| H09 | C09 | C10 | C11 | 115.0° | 29.7° |
| H09 | C09 | C10 | S14 | 66.2° | 150.0° |
| H09A | C09 | C10 | C11 | 5.1° | 149.7° |
| H09A | C09 | C10 | S14 | 173.7° | 30.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 0.5° | 0.0° |
| C10 | C11 | C12 | H12 | 179.5° | 180.0° |
| C11 | C10 | S14 | C13 | 0.4° | 0.3° |
| S14 | C10 | C11 | C12 | 0.0° | 0.2° |
| S14 | C10 | C11 | H11 | 180.0° | 179.8° |
| C10 | S14 | C13 | C12 | 0.6° | 0.3° |
| C10 | S14 | C13 | H13 | 179.4° | 179.9° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | S14 | 0.7° | 0.3° |
| C11 | C12 | C13 | H13 | 179.3° | 180.0° |
| H11 | C11 | C12 | C13 | 179.5° | 180.0° |
| H11 | C11 | C12 | H12 | 0.5° | 0.0° |
| C12 | C13 | S14 | H13 | 180.0° | 179.8° |
| H12 | C12 | C13 | S14 | 179.3° | 179.8° |
| H12 | C12 | C13 | H13 | 0.7° | 0.0° |
