18U
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | C21 | doub | 1.22Å | 1.26Å | |
| S20 | C22 | sing | 1.71Å | 1.70Å | Aromatic |
| S20 | C18 | sing | 1.76Å | 1.67Å | Aromatic |
| C21 | C18 | sing | 1.46Å | 1.52Å | |
| C21 | O24 | sing | 1.35Å | 1.24Å | |
| C22 | C19 | doub | 1.34Å | 1.34Å | Aromatic |
| C18 | C15 | doub | 1.37Å | 1.39Å | Aromatic |
| C19 | C15 | sing | 1.37Å | 1.35Å | Aromatic |
| C15 | S13 | sing | 1.76Å | 1.75Å | |
| S13 | O16 | doub | 1.42Å | 1.50Å | |
| S13 | N1 | sing | 1.66Å | 1.65Å | |
| S13 | O17 | doub | 1.42Å | 1.51Å | |
| N1 | C2 | sing | 1.47Å | 1.49Å | |
| C2 | C3 | sing | 1.51Å | 1.53Å | |
| C3 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C7 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C7 | C8 | doub | 1.40Å | 1.40Å | Aromatic |
| C6 | C8 | sing | 1.40Å | 1.40Å | Aromatic |
| C8 | C9 | sing | 1.48Å | 1.53Å | |
| O10 | C9 | doub | 1.22Å | 1.23Å | |
| C9 | O11 | sing | 1.35Å | 1.25Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C6 | H2 | sing | 1.08Å | 1.08Å | |
| O11 | H3 | sing | 0.97Å | 0.95Å | |
| C7 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| N1 | H8 | sing | 0.97Å | 1.00Å | |
| C19 | H9 | sing | 1.08Å | 1.08Å | |
| C22 | H10 | sing | 1.08Å | 1.08Å | |
| O24 | H11 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | C21 | C18 | 115.2° | 120.0° |
| O23 | C21 | O24 | 125.2° | 120.0° |
| C22 | S20 | C18 | 95.2° | 91.6° |
| S20 | C22 | C19 | 107.7° | 111.0° |
| S20 | C22 | H10 | 126.2° | 124.5° |
| S20 | C18 | C21 | 121.4° | 125.5° |
| S20 | C18 | C15 | 107.5° | 109.0° |
| C18 | C21 | O24 | 119.6° | 120.0° |
| C21 | C18 | C15 | 131.1° | 125.5° |
| C21 | O24 | H11 | 109.5° | 117.0° |
| C22 | C19 | C15 | 115.8° | 115.1° |
| C22 | C19 | H9 | 122.1° | 122.5° |
| C19 | C22 | H10 | 126.1° | 124.5° |
| C18 | C15 | C19 | 113.8° | 113.3° |
| C18 | C15 | S13 | 125.6° | 123.4° |
| C19 | C15 | S13 | 120.6° | 123.4° |
| C15 | C19 | H9 | 122.1° | 122.4° |
| C15 | S13 | O16 | 111.1° | 106.4° |
| C15 | S13 | N1 | 108.4° | 107.2° |
| C15 | S13 | O17 | 108.4° | 106.4° |
| O16 | S13 | N1 | 110.1° | 106.4° |
| O16 | S13 | O17 | 111.0° | 123.2° |
| N1 | S13 | O17 | 107.7° | 106.4° |
| S13 | N1 | C2 | 109.5° | 120.0° |
| S13 | N1 | H8 | 109.5° | 120.0° |
| N1 | C2 | C3 | 110.8° | 109.5° |
| N1 | C2 | H6 | 109.2° | 109.4° |
| N1 | C2 | H7 | 109.1° | 109.4° |
| C2 | N1 | H8 | 109.5° | 119.9° |
| C2 | C3 | C5 | 118.3° | 119.8° |
| C2 | C3 | C4 | 121.1° | 119.9° |
| C3 | C2 | H6 | 109.1° | 109.5° |
| C3 | C2 | H7 | 109.2° | 109.5° |
| C5 | C3 | C4 | 120.6° | 120.3° |
| C3 | C5 | C7 | 118.9° | 120.1° |
| C3 | C5 | H5 | 120.5° | 119.9° |
| C3 | C4 | C6 | 120.0° | 120.1° |
| C3 | C4 | H1 | 120.0° | 120.0° |
| C5 | C7 | C8 | 120.8° | 119.8° |
| C5 | C7 | H4 | 119.6° | 120.0° |
| C7 | C5 | H5 | 120.6° | 119.9° |
| C4 | C6 | C8 | 119.5° | 119.8° |
| C6 | C4 | H1 | 120.0° | 119.9° |
| C4 | C6 | H2 | 120.2° | 120.1° |
| C7 | C8 | C6 | 120.2° | 119.7° |
| C7 | C8 | C9 | 118.0° | 120.1° |
| C8 | C7 | H4 | 119.6° | 120.1° |
| C6 | C8 | C9 | 121.9° | 120.2° |
| C8 | C6 | H2 | 120.3° | 120.1° |
| C8 | C9 | O10 | 114.1° | 120.0° |
| C8 | C9 | O11 | 122.5° | 120.0° |
| O10 | C9 | O11 | 123.3° | 120.0° |
| C9 | O11 | H3 | 109.5° | 117.0° |
| H6 | C2 | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | C21 | C18 | S20 | 5.8° | 174.6° |
| O23 | C21 | C18 | O24 | 178.9° | 180.0° |
| O23 | C21 | C18 | C15 | 174.6° | 5.8° |
| O23 | C21 | O24 | H11 | 0.0° | 0.1° |
| C22 | S20 | C18 | C21 | 179.5° | 180.0° |
| S20 | C22 | C19 | H10 | 180.0° | 180.0° |
| C22 | S20 | C18 | C15 | 0.8° | 0.3° |
| S20 | C22 | C19 | C15 | 0.5° | 0.0° |
| S20 | C22 | C19 | H9 | 179.5° | 180.0° |
| S20 | C18 | C21 | C15 | 179.6° | 179.7° |
| S20 | C18 | C21 | O24 | 173.1° | 5.4° |
| C18 | S20 | C22 | C19 | 0.8° | 0.2° |
| S20 | C18 | C15 | C19 | 0.7° | 0.4° |
| S20 | C18 | C15 | S13 | 179.7° | 179.9° |
| C18 | S20 | C22 | H10 | 179.3° | 179.9° |
| C21 | C18 | C15 | C19 | 179.6° | 179.9° |
| C21 | C18 | C15 | S13 | 0.0° | 0.2° |
| C18 | C21 | O24 | H11 | 178.8° | 179.9° |
| O24 | C21 | C18 | C15 | 6.5° | 174.3° |
| C22 | C19 | C15 | C18 | 0.1° | 0.3° |
| C22 | C19 | C15 | H9 | 180.0° | 180.0° |
| C22 | C19 | C15 | S13 | 179.8° | 180.0° |
| C18 | C15 | C19 | S13 | 179.6° | 179.8° |
| C18 | C15 | S13 | O16 | 65.2° | 49.7° |
| C18 | C15 | S13 | N1 | 56.0° | 63.8° |
| C18 | C15 | S13 | O17 | 172.6° | 177.3° |
| C18 | C15 | C19 | H9 | 179.9° | 179.7° |
| C19 | C15 | S13 | O16 | 115.2° | 130.5° |
| C19 | C15 | S13 | N1 | 123.6° | 116.0° |
| C19 | C15 | S13 | O17 | 7.0° | 2.4° |
| C15 | C19 | C22 | H10 | 179.6° | 180.0° |
| C15 | S13 | O16 | N1 | 120.1° | 114.0° |
| C15 | S13 | O16 | O17 | 120.7° | 123.0° |
| C15 | S13 | N1 | O17 | 117.1° | 113.5° |
| C15 | S13 | N1 | C2 | 65.6° | 64.9° |
| C15 | S13 | N1 | H8 | 174.4° | 115.1° |
| S13 | C15 | C19 | H9 | 0.2° | 0.0° |
| O16 | S13 | N1 | O17 | 121.2° | 133.0° |
| O16 | S13 | N1 | C2 | 172.7° | 178.4° |
| O16 | S13 | N1 | H8 | 52.6° | 1.7° |
| S13 | N1 | C2 | H8 | 120.0° | 180.0° |
| S13 | N1 | C2 | C3 | 123.5° | 164.1° |
| S13 | N1 | C2 | H6 | 116.2° | 44.1° |
| S13 | N1 | C2 | H7 | 3.3° | 75.8° |
| O17 | S13 | N1 | C2 | 51.5° | 48.6° |
| O17 | S13 | N1 | H8 | 68.6° | 131.3° |
| N1 | C2 | C3 | H6 | 120.2° | 120.0° |
| N1 | C2 | C3 | H7 | 120.2° | 120.0° |
| N1 | C2 | C3 | C5 | 156.4° | 90.0° |
| N1 | C2 | C3 | C4 | 23.5° | 90.5° |
| N1 | C2 | H6 | H7 | 119.4° | 119.9° |
| C2 | C3 | C5 | C4 | 179.9° | 179.5° |
| C2 | C3 | C5 | C7 | 179.8° | 180.0° |
| C2 | C3 | C4 | C6 | 179.8° | 180.0° |
| C2 | C3 | C4 | H1 | 0.1° | 0.3° |
| C2 | C3 | C5 | H5 | 0.2° | 0.2° |
| C3 | C2 | H6 | H7 | 119.4° | 120.1° |
| C3 | C2 | N1 | H8 | 3.5° | 15.9° |
| C3 | C5 | C7 | H5 | 180.0° | 179.8° |
| C5 | C3 | C4 | C6 | 0.3° | 0.5° |
| C3 | C5 | C7 | C8 | 0.4° | 0.2° |
| C5 | C3 | C4 | H1 | 179.8° | 179.8° |
| C3 | C5 | C7 | H4 | 179.6° | 179.8° |
| C5 | C3 | C2 | H6 | 36.1° | 150.0° |
| C5 | C3 | C2 | H7 | 83.4° | 30.0° |
| C4 | C3 | C5 | C7 | 0.3° | 0.5° |
| C3 | C4 | C6 | H1 | 180.0° | 179.7° |
| C3 | C4 | C6 | C8 | 0.3° | 0.2° |
| C3 | C4 | C6 | H2 | 179.7° | 179.7° |
| C4 | C3 | C5 | H5 | 179.7° | 179.8° |
| C4 | C3 | C2 | H6 | 143.8° | 29.5° |
| C4 | C3 | C2 | H7 | 96.7° | 149.5° |
| C5 | C7 | C8 | H4 | 180.0° | 180.0° |
| C5 | C7 | C8 | C6 | 0.4° | 0.1° |
| C5 | C7 | C8 | C9 | 178.7° | 180.0° |
| C4 | C6 | C8 | C7 | 0.4° | 0.1° |
| C4 | C6 | C8 | H2 | 180.0° | 179.9° |
| C4 | C6 | C8 | C9 | 178.7° | 180.0° |
| C7 | C8 | C6 | C9 | 179.1° | 180.0° |
| C7 | C8 | C9 | O10 | 45.6° | 180.0° |
| C7 | C8 | C9 | O11 | 136.0° | 0.0° |
| C7 | C8 | C6 | H2 | 179.6° | 180.0° |
| C8 | C7 | C5 | H5 | 179.6° | 180.0° |
| C6 | C8 | C9 | O10 | 133.5° | 0.0° |
| C6 | C8 | C9 | O11 | 44.9° | 179.9° |
| C8 | C6 | C4 | H1 | 179.7° | 179.9° |
| C6 | C8 | C7 | H4 | 179.6° | 180.0° |
| C8 | C9 | O10 | O11 | 178.4° | 180.0° |
| C9 | C8 | C6 | H2 | 1.3° | 0.0° |
| C8 | C9 | O11 | H3 | 178.3° | 180.0° |
| C9 | C8 | C7 | H4 | 1.3° | 0.0° |
| O10 | C9 | O11 | H3 | 0.0° | 0.0° |
| H1 | C4 | C6 | H2 | 0.3° | 0.0° |
| H4 | C7 | C5 | H5 | 0.4° | 0.0° |
| H6 | C2 | N1 | H8 | 123.7° | 135.9° |
| H7 | C2 | N1 | H8 | 116.7° | 104.2° |
| H9 | C19 | C22 | H10 | 0.5° | 0.1° |
