SK4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O23 | S18 | doub | 1.42Å | 1.43Å | |
| S18 | O22 | doub | 1.42Å | 1.44Å | |
| S18 | C21 | sing | 1.82Å | 1.76Å | |
| S18 | C12 | sing | 1.76Å | 1.75Å | |
| C12 | C17 | doub | 1.39Å | 1.38Å | Aromatic |
| C12 | C6 | sing | 1.36Å | 1.38Å | Aromatic |
| C17 | C11 | sing | 1.36Å | 1.37Å | Aromatic |
| C11 | C5 | doub | 1.40Å | 1.39Å | Aromatic |
| C5 | N10 | sing | 1.34Å | 1.38Å | Aromatic |
| C5 | C2 | sing | 1.42Å | 1.40Å | Aromatic |
| N10 | C7 | doub | 1.31Å | 1.34Å | Aromatic |
| C7 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C13 | C8 | sing | 1.47Å | 1.51Å | |
| C13 | C1 | doub | 1.40Å | 1.40Å | Aromatic |
| C8 | O14 | doub | 1.22Å | 1.22Å | |
| C8 | N3 | sing | 1.35Å | 1.37Å | |
| C2 | C6 | doub | 1.40Å | 1.40Å | Aromatic |
| C2 | C1 | sing | 1.42Å | 1.42Å | Aromatic |
| C1 | N4 | sing | 1.38Å | 1.44Å | |
| N4 | C9 | sing | 1.40Å | 1.44Å | |
| C9 | C15 | doub | 1.39Å | 1.36Å | Aromatic |
| C9 | C16 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C19 | sing | 1.39Å | 1.38Å | Aromatic |
| C19 | O25 | sing | 1.36Å | 1.35Å | |
| C19 | C24 | doub | 1.39Å | 1.40Å | Aromatic |
| O25 | C26 | sing | 1.43Å | 1.41Å | |
| C24 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C20 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| N3 | HN3A | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C26 | H26A | sing | 1.09Å | 1.10Å | |
| C26 | H26B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O23 | S18 | O22 | 115.1° | 121.1° |
| O23 | S18 | C21 | 109.6° | 110.5° |
| O23 | S18 | C12 | 110.6° | 104.3° |
| O22 | S18 | C21 | 109.4° | 110.5° |
| O22 | S18 | C12 | 107.9° | 104.3° |
| C21 | S18 | C12 | 103.6° | 104.4° |
| S18 | C21 | H21 | 109.5° | 109.5° |
| S18 | C21 | H21A | 109.5° | 109.4° |
| S18 | C21 | H21B | 109.5° | 109.4° |
| S18 | C12 | C17 | 119.6° | 119.6° |
| S18 | C12 | C6 | 119.7° | 119.6° |
| C17 | C12 | C6 | 120.8° | 120.8° |
| C12 | C17 | C11 | 120.9° | 121.0° |
| C12 | C17 | H17 | 119.5° | 119.5° |
| C12 | C6 | C2 | 119.2° | 119.7° |
| C12 | C6 | H6 | 120.4° | 120.2° |
| C17 | C11 | C5 | 119.2° | 119.9° |
| C11 | C17 | H17 | 119.5° | 119.5° |
| C17 | C11 | H11 | 120.4° | 120.1° |
| C11 | C5 | N10 | 117.7° | 120.8° |
| C11 | C5 | C2 | 120.6° | 119.0° |
| C5 | C11 | H11 | 120.4° | 120.1° |
| N10 | C5 | C2 | 121.6° | 120.3° |
| C5 | N10 | C7 | 118.9° | 122.0° |
| C5 | C2 | C6 | 119.2° | 119.8° |
| C5 | C2 | C1 | 118.8° | 119.0° |
| N10 | C7 | C13 | 122.4° | 121.7° |
| N10 | C7 | H7 | 118.8° | 119.2° |
| C7 | C13 | C8 | 118.2° | 120.4° |
| C7 | C13 | C1 | 120.3° | 119.2° |
| C13 | C7 | H7 | 118.8° | 119.1° |
| C8 | C13 | C1 | 121.1° | 120.4° |
| C13 | C8 | O14 | 117.9° | 120.0° |
| C13 | C8 | N3 | 118.2° | 120.0° |
| C13 | C1 | C2 | 117.9° | 117.8° |
| C13 | C1 | N4 | 123.4° | 121.1° |
| O14 | C8 | N3 | 123.0° | 120.0° |
| C8 | N3 | HN3 | 109.8° | 120.0° |
| C8 | N3 | HN3A | 125.1° | 120.0° |
| C6 | C2 | C1 | 122.0° | 121.2° |
| C2 | C6 | H6 | 120.4° | 120.2° |
| C2 | C1 | N4 | 118.6° | 121.1° |
| C1 | N4 | C9 | 129.8° | 120.0° |
| C1 | N4 | HN4 | 115.1° | 120.0° |
| N4 | C9 | C15 | 124.2° | 120.1° |
| N4 | C9 | C16 | 117.4° | 120.0° |
| C9 | N4 | HN4 | 115.1° | 120.0° |
| C15 | C9 | C16 | 118.5° | 119.9° |
| C9 | C15 | C19 | 120.9° | 119.9° |
| C9 | C15 | H15 | 119.6° | 120.1° |
| C9 | C16 | C20 | 122.1° | 120.0° |
| C9 | C16 | H16 | 119.0° | 120.0° |
| C15 | C19 | O25 | 117.9° | 120.0° |
| C15 | C19 | C24 | 121.4° | 120.0° |
| C19 | C15 | H15 | 119.6° | 120.1° |
| O25 | C19 | C24 | 120.7° | 120.0° |
| C19 | O25 | C26 | 120.9° | 117.0° |
| C19 | C24 | C20 | 118.8° | 120.1° |
| C19 | C24 | H24 | 120.6° | 120.0° |
| O25 | C26 | H26 | 109.5° | 109.5° |
| O25 | C26 | H26A | 109.4° | 109.5° |
| O25 | C26 | H26B | 109.5° | 109.5° |
| C24 | C20 | C16 | 118.4° | 120.1° |
| C20 | C24 | H24 | 120.6° | 119.9° |
| C24 | C20 | H20 | 120.8° | 120.0° |
| C16 | C20 | H20 | 120.8° | 119.9° |
| C20 | C16 | H16 | 119.0° | 120.0° |
| H21 | C21 | H21A | 109.5° | 109.4° |
| H21 | C21 | H21B | 109.4° | 109.5° |
| H21A | C21 | H21B | 109.5° | 109.5° |
| HN3 | N3 | HN3A | 125.1° | 120.0° |
| H26 | C26 | H26A | 109.5° | 109.5° |
| H26 | C26 | H26B | 109.4° | 109.5° |
| H26A | C26 | H26B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O23 | S18 | O22 | C21 | 123.9° | 131.5° |
| O23 | S18 | O22 | C12 | 124.1° | 116.8° |
| O23 | S18 | C21 | C12 | 118.1° | 111.6° |
| O23 | S18 | C12 | C17 | 154.3° | 21.0° |
| O23 | S18 | C12 | C6 | 26.4° | 158.8° |
| O23 | S18 | C21 | H21 | 32.3° | 65.3° |
| O23 | S18 | C21 | H21A | 87.7° | 174.7° |
| O23 | S18 | C21 | H21B | 152.3° | 54.7° |
| O22 | S18 | C21 | C12 | 114.9° | 111.6° |
| O22 | S18 | C12 | C17 | 27.6° | 148.9° |
| O22 | S18 | C12 | C6 | 153.1° | 30.9° |
| O22 | S18 | C21 | H21 | 159.3° | 157.9° |
| O22 | S18 | C21 | H21A | 39.4° | 38.0° |
| O22 | S18 | C21 | H21B | 80.7° | 82.0° |
| C21 | S18 | C12 | C17 | 88.3° | 95.1° |
| C21 | S18 | C12 | C6 | 91.0° | 85.2° |
| S18 | C21 | H21 | H21A | 120.0° | 119.9° |
| S18 | C21 | H21 | H21B | 120.0° | 120.0° |
| S18 | C21 | H21A | H21B | 120.0° | 120.0° |
| S18 | C12 | C17 | C6 | 179.3° | 179.7° |
| S18 | C12 | C17 | C11 | 179.2° | 180.0° |
| S18 | C12 | C6 | C2 | 178.3° | 179.8° |
| C12 | S18 | C21 | H21 | 85.8° | 46.3° |
| C12 | S18 | C21 | H21A | 154.2° | 73.6° |
| C12 | S18 | C21 | H21B | 34.2° | 166.4° |
| S18 | C12 | C17 | H17 | 0.8° | 0.1° |
| S18 | C12 | C6 | H6 | 1.7° | 0.0° |
| C12 | C17 | C11 | H17 | 180.0° | 179.9° |
| C12 | C17 | C11 | C5 | 0.7° | 0.0° |
| C17 | C12 | C6 | C2 | 2.5° | 0.5° |
| C12 | C17 | C11 | H11 | 179.3° | 180.0° |
| C17 | C12 | C6 | H6 | 177.5° | 179.7° |
| C6 | C12 | C17 | C11 | 1.5° | 0.3° |
| C12 | C6 | C2 | C5 | 2.6° | 0.5° |
| C12 | C6 | C2 | H6 | 180.0° | 179.8° |
| C12 | C6 | C2 | C1 | 179.3° | 179.8° |
| C6 | C12 | C17 | H17 | 178.5° | 179.8° |
| C17 | C11 | C5 | H11 | 180.0° | 180.0° |
| C17 | C11 | C5 | N10 | 179.6° | 179.9° |
| C17 | C11 | C5 | C2 | 0.8° | 0.0° |
| C11 | C5 | N10 | C2 | 178.7° | 180.0° |
| C11 | C5 | N10 | C7 | 178.7° | 180.0° |
| C11 | C5 | C2 | C6 | 1.8° | 0.3° |
| C11 | C5 | C2 | C1 | 180.0° | 180.0° |
| C5 | C11 | C17 | H17 | 179.4° | 180.0° |
| C5 | N10 | C7 | C13 | 3.0° | 0.0° |
| N10 | C5 | C2 | C6 | 179.5° | 179.7° |
| N10 | C5 | C2 | C1 | 1.3° | 0.1° |
| N10 | C5 | C11 | H11 | 0.4° | 0.0° |
| C5 | N10 | C7 | H7 | 177.0° | 179.9° |
| C2 | C5 | N10 | C7 | 0.0° | 0.0° |
| C5 | C2 | C1 | C13 | 0.2° | 0.1° |
| C5 | C2 | C6 | C1 | 178.1° | 179.8° |
| C5 | C2 | C1 | N4 | 176.6° | 180.0° |
| C2 | C5 | C11 | H11 | 179.2° | 180.0° |
| C5 | C2 | C6 | H6 | 177.4° | 179.7° |
| N10 | C7 | C13 | H7 | 180.0° | 179.9° |
| N10 | C7 | C13 | C8 | 177.6° | 180.0° |
| N10 | C7 | C13 | C1 | 4.6° | 0.0° |
| C7 | C13 | C8 | C1 | 172.9° | 180.0° |
| C7 | C13 | C8 | O14 | 157.0° | 174.7° |
| C7 | C13 | C8 | N3 | 12.4° | 5.3° |
| C7 | C13 | C1 | C2 | 3.0° | 0.0° |
| C7 | C13 | C1 | N4 | 179.2° | 180.0° |
| C13 | C8 | O14 | N3 | 168.8° | 180.0° |
| C8 | C13 | C1 | C2 | 175.8° | 180.0° |
| C8 | C13 | C1 | N4 | 8.0° | 0.0° |
| C8 | C13 | C7 | H7 | 2.4° | 0.0° |
| C13 | C8 | N3 | HN3 | 5.1° | 0.0° |
| C13 | C8 | N3 | HN3A | 175.0° | 180.0° |
| C1 | C13 | C8 | O14 | 15.9° | 5.3° |
| C1 | C13 | C8 | N3 | 174.7° | 174.7° |
| C13 | C1 | C2 | C6 | 177.9° | 179.7° |
| C13 | C1 | C2 | N4 | 176.4° | 180.0° |
| C13 | C1 | N4 | C9 | 132.5° | 93.7° |
| C1 | C13 | C7 | H7 | 175.4° | 179.9° |
| C13 | C1 | N4 | HN4 | 47.5° | 86.3° |
| O14 | C8 | N3 | HN3 | 173.8° | 180.0° |
| O14 | C8 | N3 | HN3A | 6.2° | 0.0° |
| C8 | N3 | HN3 | HN3A | 180.0° | 180.0° |
| C6 | C2 | C1 | N4 | 1.5° | 0.3° |
| C2 | C1 | N4 | C9 | 43.7° | 86.3° |
| C1 | C2 | C6 | H6 | 0.7° | 0.1° |
| C2 | C1 | N4 | HN4 | 136.3° | 93.7° |
| C1 | N4 | C9 | HN4 | 180.0° | 180.0° |
| C1 | N4 | C9 | C15 | 156.6° | 173.8° |
| C1 | N4 | C9 | C16 | 23.5° | 6.0° |
| N4 | C9 | C15 | C16 | 179.9° | 179.8° |
| N4 | C9 | C15 | C19 | 179.9° | 179.9° |
| N4 | C9 | C16 | C20 | 179.3° | 179.8° |
| N4 | C9 | C15 | H15 | 0.1° | 0.0° |
| N4 | C9 | C16 | H16 | 0.7° | 0.1° |
| C9 | C15 | C19 | H15 | 180.0° | 179.9° |
| C9 | C15 | C19 | O25 | 178.8° | 180.0° |
| C9 | C15 | C19 | C24 | 1.0° | 0.1° |
| C15 | C9 | C16 | C20 | 0.8° | 0.4° |
| C15 | C9 | N4 | HN4 | 23.4° | 6.2° |
| C15 | C9 | C16 | H16 | 179.3° | 179.7° |
| C16 | C9 | C15 | C19 | 0.0° | 0.2° |
| C9 | C16 | C20 | C24 | 0.5° | 0.5° |
| C9 | C16 | C20 | H16 | 180.0° | 179.8° |
| C16 | C9 | N4 | HN4 | 156.5° | 174.0° |
| C16 | C9 | C15 | H15 | 180.0° | 179.7° |
| C9 | C16 | C20 | H20 | 179.5° | 179.7° |
| C15 | C19 | O25 | C24 | 179.9° | 180.0° |
| C15 | C19 | O25 | C26 | 0.7° | 180.0° |
| C15 | C19 | C24 | C20 | 1.3° | 0.0° |
| C15 | C19 | C24 | H24 | 178.7° | 180.0° |
| O25 | C19 | C24 | C20 | 178.5° | 180.0° |
| O25 | C19 | C15 | H15 | 1.2° | 0.1° |
| C19 | O25 | C26 | H26 | 62.0° | 60.0° |
| C19 | O25 | C26 | H26A | 178.0° | 60.0° |
| C19 | O25 | C26 | H26B | 58.0° | 180.0° |
| O25 | C19 | C24 | H24 | 1.4° | 0.0° |
| C24 | C19 | O25 | C26 | 179.4° | 0.0° |
| C19 | C24 | C20 | H24 | 180.0° | 180.0° |
| C19 | C24 | C20 | C16 | 0.6° | 0.3° |
| C24 | C19 | C15 | H15 | 179.0° | 180.0° |
| C19 | C24 | C20 | H20 | 179.4° | 179.9° |
| O25 | C26 | H26 | H26A | 120.0° | 120.0° |
| O25 | C26 | H26 | H26B | 120.0° | 120.0° |
| O25 | C26 | H26A | H26B | 120.0° | 120.0° |
| C24 | C20 | C16 | H20 | 180.0° | 179.8° |
| C24 | C20 | C16 | H16 | 179.6° | 179.7° |
| C16 | C20 | C24 | H24 | 179.5° | 179.8° |
| H21 | C21 | H21A | H21B | 120.0° | 120.1° |
| H17 | C17 | C11 | H11 | 0.7° | 0.1° |
| H26 | C26 | H26A | H26B | 120.0° | 120.0° |
| H24 | C24 | C20 | H20 | 0.5° | 0.0° |
| H20 | C20 | C16 | H16 | 0.4° | 0.1° |
