6ZU
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | S12 | doub | 1.42Å | 1.46Å | |
| O13 | S12 | doub | 1.42Å | 1.46Å | |
| C5 | C4 | doub | 1.36Å | 1.41Å | Aromatic |
| C5 | C6 | sing | 1.39Å | 1.42Å | Aromatic |
| S12 | O11 | sing | 1.52Å | 1.54Å | |
| S12 | C15 | sing | 1.81Å | 1.65Å | |
| C4 | C3 | sing | 1.40Å | 1.41Å | Aromatic |
| C16 | C10 | sing | 1.51Å | 1.52Å | |
| O11 | C6 | sing | 1.36Å | 1.38Å | |
| C21 | C22 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C6 | C1 | doub | 1.39Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C10 | sing | 1.46Å | 1.48Å | |
| C3 | C2 | doub | 1.41Å | 1.49Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C10 | C9 | doub | 1.36Å | 1.49Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.39Å | Aromatic |
| C2 | O7 | sing | 1.35Å | 1.35Å | |
| C19 | C24 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.51Å | |
| C9 | C18 | sing | 1.51Å | 1.51Å | |
| C9 | C8 | sing | 1.41Å | 1.50Å | |
| O7 | C8 | sing | 1.34Å | 1.35Å | |
| C8 | O17 | doub | 1.22Å | 1.26Å | |
| C4 | H1 | sing | 1.08Å | 1.08Å | |
| C5 | H2 | sing | 1.08Å | 1.08Å | |
| C18 | H3 | sing | 1.09Å | 1.10Å | |
| C18 | H4 | sing | 1.09Å | 1.10Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C23 | H6 | sing | 1.08Å | 1.08Å | |
| C22 | H7 | sing | 1.08Å | 1.08Å | |
| C21 | H8 | sing | 1.08Å | 1.08Å | |
| C20 | H9 | sing | 1.08Å | 1.08Å | |
| C16 | H10 | sing | 1.09Å | 1.10Å | |
| C16 | H11 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H16 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | S12 | O13 | 107.6° | 121.1° |
| O14 | S12 | O11 | 109.6° | 104.3° |
| O14 | S12 | C15 | 116.5° | 110.5° |
| O13 | S12 | O11 | 108.5° | 104.3° |
| O13 | S12 | C15 | 114.5° | 110.5° |
| C4 | C5 | C6 | 120.5° | 120.5° |
| C5 | C4 | C3 | 120.4° | 119.8° |
| C5 | C4 | H1 | 119.8° | 120.1° |
| C4 | C5 | H2 | 119.8° | 119.8° |
| C5 | C6 | O11 | 122.5° | 119.7° |
| C5 | C6 | C1 | 120.7° | 120.5° |
| C6 | C5 | H2 | 119.7° | 119.8° |
| O11 | S12 | C15 | 99.6° | 104.5° |
| S12 | O11 | C6 | 126.7° | 114.0° |
| S12 | C15 | H14 | 109.5° | 109.5° |
| S12 | C15 | H15 | 109.4° | 109.5° |
| S12 | C15 | H16 | 109.5° | 109.4° |
| C4 | C3 | C10 | 126.2° | 121.0° |
| C4 | C3 | C2 | 117.8° | 120.0° |
| C3 | C4 | H1 | 119.8° | 120.1° |
| C16 | C10 | C3 | 120.9° | 120.9° |
| C16 | C10 | C9 | 120.5° | 120.9° |
| C10 | C16 | H10 | 109.5° | 109.5° |
| C10 | C16 | H11 | 109.5° | 109.4° |
| C10 | C16 | H12 | 109.5° | 109.5° |
| O11 | C6 | C1 | 116.6° | 119.7° |
| C22 | C21 | C20 | 119.3° | 120.0° |
| C21 | C22 | C23 | 119.6° | 120.0° |
| C21 | C22 | H7 | 120.2° | 120.0° |
| C22 | C21 | H8 | 120.4° | 120.0° |
| C21 | C20 | C19 | 121.1° | 120.0° |
| C20 | C21 | H8 | 120.3° | 120.0° |
| C21 | C20 | H9 | 119.4° | 120.0° |
| C6 | C1 | C2 | 120.8° | 119.8° |
| C6 | C1 | H13 | 119.6° | 120.1° |
| C22 | C23 | C24 | 121.2° | 120.0° |
| C22 | C23 | H6 | 119.4° | 120.0° |
| C23 | C22 | H7 | 120.2° | 119.9° |
| C10 | C3 | C2 | 116.0° | 119.0° |
| C3 | C10 | C9 | 118.6° | 118.2° |
| C3 | C2 | C1 | 119.8° | 119.4° |
| C3 | C2 | O7 | 122.3° | 119.8° |
| C20 | C19 | C24 | 119.7° | 120.0° |
| C20 | C19 | C18 | 120.4° | 120.0° |
| C19 | C20 | H9 | 119.5° | 120.0° |
| C10 | C9 | C18 | 121.2° | 120.1° |
| C10 | C9 | C8 | 119.9° | 119.9° |
| C23 | C24 | C19 | 119.0° | 120.0° |
| C23 | C24 | H5 | 120.5° | 120.0° |
| C24 | C23 | H6 | 119.4° | 120.0° |
| C1 | C2 | O7 | 117.9° | 120.8° |
| C2 | C1 | H13 | 119.6° | 120.1° |
| C2 | O7 | C8 | 125.3° | 121.5° |
| C24 | C19 | C18 | 119.9° | 120.0° |
| C19 | C24 | H5 | 120.5° | 120.0° |
| C19 | C18 | C9 | 116.3° | 109.5° |
| C19 | C18 | H3 | 107.7° | 109.5° |
| C19 | C18 | H4 | 107.7° | 109.4° |
| C18 | C9 | C8 | 118.9° | 120.1° |
| C9 | C18 | H3 | 107.7° | 109.5° |
| C9 | C18 | H4 | 107.7° | 109.5° |
| C9 | C8 | O7 | 117.9° | 121.7° |
| C9 | C8 | O17 | 124.1° | 119.2° |
| O7 | C8 | O17 | 118.0° | 119.2° |
| H3 | C18 | H4 | 109.4° | 109.5° |
| H10 | C16 | H11 | 109.5° | 109.5° |
| H10 | C16 | H12 | 109.4° | 109.5° |
| H11 | C16 | H12 | 109.5° | 109.5° |
| H14 | C15 | H15 | 109.5° | 109.5° |
| H14 | C15 | H16 | 109.5° | 109.4° |
| H15 | C15 | H16 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | S12 | O13 | O11 | 118.5° | 116.8° |
| O14 | S12 | O13 | C15 | 131.2° | 131.4° |
| O14 | S12 | O11 | C15 | 122.7° | 116.1° |
| O14 | S12 | O11 | C6 | 52.3° | 41.1° |
| O14 | S12 | C15 | H14 | 180.0° | 171.6° |
| O14 | S12 | C15 | H15 | 60.0° | 68.3° |
| O14 | S12 | C15 | H16 | 60.0° | 51.7° |
| O13 | S12 | O11 | C15 | 120.1° | 116.0° |
| O13 | S12 | O11 | C6 | 169.6° | 169.0° |
| O13 | S12 | C15 | H14 | 53.2° | 51.7° |
| O13 | S12 | C15 | H15 | 173.3° | 68.4° |
| O13 | S12 | C15 | H16 | 66.8° | 171.6° |
| C4 | C5 | C6 | H2 | 180.0° | 179.8° |
| C5 | C4 | C3 | H1 | 180.0° | 179.9° |
| C4 | C5 | C6 | O11 | 178.0° | 180.0° |
| C4 | C5 | C6 | C1 | 2.8° | 0.2° |
| C5 | C4 | C3 | C10 | 179.5° | 180.0° |
| C5 | C4 | C3 | C2 | 0.8° | 0.1° |
| C5 | C6 | O11 | S12 | 94.8° | 90.0° |
| C6 | C5 | C4 | C3 | 0.8° | 0.2° |
| C5 | C6 | O11 | C1 | 175.4° | 179.7° |
| C5 | C6 | C1 | C2 | 3.1° | 0.0° |
| C6 | C5 | C4 | H1 | 179.2° | 179.7° |
| C5 | C6 | C1 | H13 | 176.9° | 180.0° |
| S12 | O11 | C6 | C1 | 89.8° | 89.7° |
| O11 | S12 | C15 | H14 | 62.3° | 60.0° |
| O11 | S12 | C15 | H15 | 57.7° | 180.0° |
| O11 | S12 | C15 | H16 | 177.7° | 59.9° |
| C15 | S12 | O11 | C6 | 70.4° | 75.0° |
| S12 | C15 | H14 | H15 | 120.0° | 120.1° |
| S12 | C15 | H14 | H16 | 120.0° | 119.9° |
| S12 | C15 | H15 | H16 | 120.0° | 120.0° |
| C4 | C3 | C10 | C16 | 0.4° | 0.0° |
| C4 | C3 | C10 | C2 | 178.7° | 179.9° |
| C4 | C3 | C10 | C9 | 178.8° | 180.0° |
| C4 | C3 | C2 | C1 | 0.5° | 0.3° |
| C4 | C3 | C2 | O7 | 179.3° | 180.0° |
| C3 | C4 | C5 | H2 | 179.2° | 180.0° |
| C16 | C10 | C3 | C9 | 179.2° | 180.0° |
| C16 | C10 | C3 | C2 | 179.1° | 179.9° |
| C16 | C10 | C9 | C18 | 0.1° | 0.1° |
| C16 | C10 | C9 | C8 | 179.5° | 179.9° |
| C10 | C16 | H10 | H11 | 120.0° | 120.0° |
| C10 | C16 | H10 | H12 | 120.0° | 120.0° |
| C10 | C16 | H11 | H12 | 120.0° | 120.0° |
| O11 | C6 | C1 | C2 | 178.6° | 179.7° |
| O11 | C6 | C5 | H2 | 2.0° | 0.3° |
| O11 | C6 | C1 | H13 | 1.4° | 0.3° |
| C22 | C21 | C20 | H8 | 180.0° | 179.6° |
| C21 | C22 | C23 | H7 | 180.0° | 179.9° |
| C22 | C21 | C20 | C19 | 1.2° | 0.7° |
| C21 | C22 | C23 | C24 | 1.1° | 0.1° |
| C21 | C22 | C23 | H6 | 179.0° | 180.0° |
| C22 | C21 | C20 | H9 | 178.8° | 180.0° |
| C20 | C21 | C22 | C23 | 1.1° | 0.4° |
| C21 | C20 | C19 | H9 | 180.0° | 179.3° |
| C21 | C20 | C19 | C24 | 1.3° | 0.7° |
| C21 | C20 | C19 | C18 | 178.9° | 179.6° |
| C20 | C21 | C22 | H7 | 178.9° | 179.7° |
| C6 | C1 | C2 | C3 | 1.4° | 0.3° |
| C6 | C1 | C2 | H13 | 180.0° | 180.0° |
| C6 | C1 | C2 | O7 | 178.8° | 180.0° |
| C1 | C6 | C5 | H2 | 177.2° | 180.0° |
| C22 | C23 | C24 | H6 | 180.0° | 180.0° |
| C22 | C23 | C24 | C19 | 1.1° | 0.0° |
| C22 | C23 | C24 | H5 | 178.9° | 180.0° |
| C23 | C22 | C21 | H8 | 178.9° | 180.0° |
| C10 | C3 | C2 | C1 | 179.3° | 179.7° |
| C10 | C3 | C2 | O7 | 0.5° | 0.0° |
| C3 | C10 | C9 | C18 | 179.4° | 180.0° |
| C3 | C10 | C9 | C8 | 0.3° | 0.0° |
| C10 | C3 | C4 | H1 | 0.5° | 0.1° |
| C3 | C10 | C16 | H10 | 180.0° | 95.2° |
| C3 | C10 | C16 | H11 | 60.0° | 24.8° |
| C3 | C10 | C16 | H12 | 60.0° | 144.8° |
| C2 | C3 | C10 | C9 | 0.2° | 0.1° |
| C3 | C2 | C1 | O7 | 179.8° | 179.7° |
| C3 | C2 | O7 | C8 | 0.3° | 0.0° |
| C2 | C3 | C4 | H1 | 179.2° | 180.0° |
| C3 | C2 | C1 | H13 | 178.6° | 179.7° |
| C20 | C19 | C24 | C23 | 1.3° | 0.3° |
| C20 | C19 | C24 | C18 | 177.6° | 179.7° |
| C20 | C19 | C18 | C9 | 116.6° | 87.1° |
| C20 | C19 | C18 | H3 | 4.4° | 152.9° |
| C20 | C19 | C18 | H4 | 122.3° | 32.9° |
| C20 | C19 | C24 | H5 | 178.7° | 179.7° |
| C19 | C20 | C21 | H8 | 178.7° | 179.7° |
| C10 | C9 | C18 | C19 | 81.6° | 94.0° |
| C10 | C9 | C18 | C8 | 179.7° | 180.0° |
| C10 | C9 | C8 | O7 | 0.5° | 0.0° |
| C10 | C9 | C8 | O17 | 179.9° | 179.9° |
| C10 | C9 | C18 | H3 | 39.4° | 26.0° |
| C10 | C9 | C18 | H4 | 157.4° | 146.0° |
| C9 | C10 | C16 | H10 | 0.8° | 84.8° |
| C9 | C10 | C16 | H11 | 119.2° | 155.2° |
| C9 | C10 | C16 | H12 | 120.8° | 35.2° |
| C23 | C24 | C19 | H5 | 180.0° | 180.0° |
| C23 | C24 | C19 | C18 | 178.8° | 180.0° |
| C24 | C23 | C22 | H7 | 178.9° | 180.0° |
| C1 | C2 | O7 | C8 | 179.5° | 179.7° |
| C2 | O7 | C8 | C9 | 0.2° | 0.1° |
| C2 | O7 | C8 | O17 | 179.8° | 180.0° |
| O7 | C2 | C1 | H13 | 1.3° | 0.0° |
| C24 | C19 | C18 | C9 | 65.8° | 93.2° |
| C24 | C19 | C18 | H3 | 173.2° | 26.8° |
| C24 | C19 | C18 | H4 | 55.2° | 146.8° |
| C19 | C24 | C23 | H6 | 178.9° | 180.0° |
| C24 | C19 | C20 | H9 | 178.7° | 180.0° |
| C19 | C18 | C9 | H3 | 121.0° | 120.0° |
| C19 | C18 | C9 | H4 | 121.0° | 120.0° |
| C19 | C18 | C9 | C8 | 98.7° | 86.0° |
| C19 | C18 | H3 | H4 | 116.9° | 119.9° |
| C18 | C19 | C24 | H5 | 1.2° | 0.0° |
| C18 | C19 | C20 | H9 | 1.1° | 0.3° |
| C18 | C9 | C8 | O7 | 179.2° | 180.0° |
| C18 | C9 | C8 | O17 | 0.4° | 0.0° |
| C9 | C18 | H3 | H4 | 116.9° | 120.1° |
| C9 | C8 | O7 | O17 | 179.6° | 179.9° |
| C8 | C9 | C18 | H3 | 140.3° | 154.0° |
| C8 | C9 | C18 | H4 | 22.3° | 34.0° |
| H1 | C4 | C5 | H2 | 0.8° | 0.1° |
| H5 | C24 | C23 | H6 | 1.1° | 0.0° |
| H6 | C23 | C22 | H7 | 1.0° | 0.0° |
| H7 | C22 | C21 | H8 | 1.1° | 0.0° |
| H8 | C21 | C20 | H9 | 1.3° | 0.4° |
| H10 | C16 | H11 | H12 | 120.0° | 120.0° |
| H14 | C15 | H15 | H16 | 120.0° | 119.9° |
