34O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | O7 | sing | 1.44Å | 1.44Å | |
| C8 | O9 | sing | 1.44Å | 1.44Å | |
| C10 | C3 | sing | 1.48Å | 1.49Å | Aromatic |
| C10 | N14 | doub | 1.31Å | 1.27Å | Aromatic |
| C10 | O11 | sing | 1.35Å | 1.44Å | Aromatic |
| C6 | C5 | doub | 1.39Å | 1.46Å | Aromatic |
| C6 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C6 | O7 | sing | 1.37Å | 1.35Å | |
| C5 | C4 | sing | 1.38Å | 1.38Å | Aromatic |
| C5 | O9 | sing | 1.37Å | 1.35Å | |
| C4 | C3 | doub | 1.40Å | 1.40Å | Aromatic |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C2 | C3 | sing | 1.40Å | 1.40Å | Aromatic |
| F25 | C19 | sing | 1.35Å | 1.35Å | |
| C19 | C20 | doub | 1.39Å | 1.51Å | Aromatic |
| C19 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C20 | O23 | sing | 1.36Å | 1.38Å | |
| C20 | C21 | sing | 1.39Å | 1.40Å | Aromatic |
| O23 | C24 | sing | 1.43Å | 1.43Å | |
| C21 | C22 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C17 | sing | 1.38Å | 1.40Å | Aromatic |
| C18 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.53Å | |
| C16 | S15 | sing | 1.81Å | 1.78Å | |
| S15 | C12 | sing | 1.76Å | 1.65Å | |
| C12 | N13 | doub | 1.31Å | 1.27Å | Aromatic |
| C12 | O11 | sing | 1.35Å | 1.44Å | Aromatic |
| N13 | N14 | sing | 1.29Å | 1.42Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C8 | O9 | 106.8° | 103.7° |
| C8 | O7 | C6 | 108.4° | 105.5° |
| O7 | C8 | H8 | 110.4° | 110.6° |
| O7 | C8 | H8A | 111.0° | 110.6° |
| C8 | O9 | C5 | 108.0° | 105.5° |
| O9 | C8 | H8 | 110.4° | 110.5° |
| O9 | C8 | H8A | 111.0° | 110.6° |
| C3 | C10 | N14 | 128.6° | 126.3° |
| C3 | C10 | O11 | 118.9° | 126.3° |
| C10 | C3 | C4 | 116.3° | 120.1° |
| C10 | C3 | C2 | 121.5° | 120.1° |
| N14 | C10 | O11 | 112.4° | 107.4° |
| C10 | N14 | N13 | 108.3° | 109.4° |
| C10 | O11 | C12 | 99.0° | 106.4° |
| C5 | C6 | C1 | 121.3° | 120.0° |
| C5 | C6 | O7 | 108.1° | 108.6° |
| C6 | C5 | C4 | 121.2° | 120.0° |
| C6 | C5 | O9 | 108.7° | 108.6° |
| C1 | C6 | O7 | 130.7° | 131.4° |
| C6 | C1 | C2 | 116.4° | 120.3° |
| C6 | C1 | H1 | 121.8° | 119.8° |
| C4 | C5 | O9 | 130.0° | 131.4° |
| C5 | C4 | C3 | 116.5° | 119.9° |
| C5 | C4 | H4 | 121.8° | 120.1° |
| C4 | C3 | C2 | 122.2° | 119.8° |
| C3 | C4 | H4 | 121.8° | 120.0° |
| C1 | C2 | C3 | 122.4° | 120.0° |
| C2 | C1 | H1 | 121.8° | 119.9° |
| C1 | C2 | H2 | 118.8° | 120.0° |
| C3 | C2 | H2 | 118.8° | 120.0° |
| F25 | C19 | C20 | 122.1° | 120.0° |
| F25 | C19 | C18 | 119.2° | 120.1° |
| C20 | C19 | C18 | 118.7° | 119.9° |
| C19 | C20 | O23 | 123.0° | 120.1° |
| C19 | C20 | C21 | 118.4° | 119.9° |
| C19 | C18 | C17 | 120.7° | 120.0° |
| C19 | C18 | H18 | 119.6° | 120.0° |
| O23 | C20 | C21 | 118.6° | 120.1° |
| C20 | O23 | C24 | 123.2° | 117.0° |
| C20 | C21 | C22 | 120.2° | 120.0° |
| C20 | C21 | H21 | 119.9° | 120.0° |
| O23 | C24 | H24 | 109.5° | 109.5° |
| O23 | C24 | H24A | 109.4° | 109.4° |
| O23 | C24 | H24B | 109.4° | 109.5° |
| C21 | C22 | C17 | 121.9° | 120.1° |
| C22 | C21 | H21 | 119.9° | 120.0° |
| C21 | C22 | H22 | 119.1° | 120.0° |
| C22 | C17 | C18 | 120.1° | 120.2° |
| C22 | C17 | C16 | 119.3° | 119.9° |
| C17 | C22 | H22 | 119.0° | 120.0° |
| C18 | C17 | C16 | 120.6° | 119.9° |
| C17 | C18 | H18 | 119.6° | 120.0° |
| C17 | C16 | S15 | 117.4° | 109.5° |
| C17 | C16 | H16 | 106.9° | 109.5° |
| C17 | C16 | H16A | 105.1° | 109.5° |
| C16 | S15 | C12 | 110.5° | 100.0° |
| S15 | C16 | H16 | 106.9° | 109.5° |
| S15 | C16 | H16A | 105.1° | 109.4° |
| S15 | C12 | N13 | 127.0° | 126.3° |
| S15 | C12 | O11 | 119.6° | 126.3° |
| N13 | C12 | O11 | 113.4° | 107.4° |
| C12 | N13 | N14 | 106.9° | 109.5° |
| H8 | C8 | H8A | 107.4° | 110.7° |
| H24 | C24 | H24A | 109.5° | 109.5° |
| H24 | C24 | H24B | 109.5° | 109.5° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| H16 | C16 | H16A | 115.9° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C8 | O9 | H8 | 120.0° | 118.6° |
| O7 | C8 | O9 | H8A | 121.0° | 118.6° |
| C8 | O7 | C6 | C5 | 1.5° | 17.3° |
| C8 | O7 | C6 | C1 | 179.3° | 162.7° |
| O7 | C8 | O9 | C5 | 1.8° | 27.2° |
| O7 | C8 | H8 | H8A | 121.1° | 122.9° |
| C8 | O9 | C5 | C6 | 0.9° | 17.3° |
| O9 | C8 | O7 | C6 | 2.0° | 27.2° |
| C8 | O9 | C5 | C4 | 178.4° | 162.6° |
| O9 | C8 | H8 | H8A | 121.1° | 122.8° |
| C3 | C10 | N14 | O11 | 178.3° | 179.7° |
| C10 | C3 | C4 | C5 | 179.0° | 180.0° |
| C10 | C3 | C4 | C2 | 178.6° | 179.9° |
| C10 | C3 | C2 | C1 | 179.0° | 179.9° |
| C3 | C10 | O11 | C12 | 178.5° | 180.0° |
| C3 | C10 | N14 | N13 | 178.8° | 180.0° |
| C10 | C3 | C4 | H4 | 1.0° | 0.1° |
| C10 | C3 | C2 | H2 | 1.0° | 0.1° |
| N14 | C10 | C3 | C4 | 173.2° | 0.0° |
| N14 | C10 | C3 | C2 | 5.4° | 179.9° |
| C10 | N14 | N13 | C12 | 0.8° | 0.1° |
| N14 | C10 | O11 | C12 | 0.0° | 0.3° |
| O11 | C10 | C3 | C4 | 5.0° | 179.7° |
| O11 | C10 | C3 | C2 | 176.4° | 0.4° |
| C10 | O11 | C12 | S15 | 180.0° | 179.8° |
| C10 | O11 | C12 | N13 | 0.5° | 0.2° |
| O11 | C10 | N14 | N13 | 0.4° | 0.3° |
| C5 | C6 | C1 | O7 | 179.2° | 179.9° |
| C6 | C5 | C4 | O9 | 179.2° | 179.9° |
| C6 | C5 | C4 | C3 | 0.3° | 0.1° |
| C5 | C6 | C1 | C2 | 0.8° | 0.0° |
| C6 | C5 | C4 | H4 | 179.7° | 180.0° |
| C5 | C6 | C1 | H1 | 179.2° | 180.0° |
| C1 | C6 | C5 | C4 | 0.9° | 0.1° |
| C1 | C6 | C5 | O9 | 179.7° | 180.0° |
| C6 | C1 | C2 | H1 | 180.0° | 179.9° |
| C6 | C1 | C2 | C3 | 0.1° | 0.1° |
| C6 | C1 | C2 | H2 | 179.9° | 179.9° |
| O7 | C6 | C5 | C4 | 179.7° | 179.9° |
| O7 | C6 | C5 | O9 | 0.3° | 0.0° |
| O7 | C6 | C1 | C2 | 180.0° | 180.0° |
| C6 | O7 | C8 | H8 | 118.0° | 145.7° |
| C6 | O7 | C8 | H8A | 123.1° | 91.4° |
| O7 | C6 | C1 | H1 | 0.0° | 0.1° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | C2 | 0.4° | 0.1° |
| O9 | C5 | C4 | C3 | 179.5° | 180.0° |
| C5 | O9 | C8 | H8 | 118.2° | 145.8° |
| C5 | O9 | C8 | H8A | 122.8° | 91.4° |
| O9 | C5 | C4 | H4 | 0.5° | 0.1° |
| C4 | C3 | C2 | C1 | 0.5° | 0.2° |
| C4 | C3 | C2 | H2 | 179.5° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.8° |
| C2 | C3 | C4 | H4 | 179.6° | 179.8° |
| C3 | C2 | C1 | H1 | 179.9° | 179.8° |
| F25 | C19 | C20 | C18 | 179.5° | 179.7° |
| F25 | C19 | C20 | O23 | 0.1° | 0.0° |
| F25 | C19 | C20 | C21 | 179.3° | 180.0° |
| F25 | C19 | C18 | C17 | 180.0° | 179.8° |
| F25 | C19 | C18 | H18 | 0.0° | 0.1° |
| C19 | C20 | O23 | C21 | 179.4° | 180.0° |
| C19 | C20 | O23 | C24 | 43.2° | 180.0° |
| C19 | C20 | C21 | C22 | 0.5° | 0.0° |
| C20 | C19 | C18 | C17 | 0.5° | 0.5° |
| C19 | C20 | C21 | H21 | 179.5° | 180.0° |
| C20 | C19 | C18 | H18 | 179.5° | 179.7° |
| C18 | C19 | C20 | O23 | 179.6° | 179.7° |
| C18 | C19 | C20 | C21 | 0.2° | 0.3° |
| C19 | C18 | C17 | C22 | 0.9° | 0.5° |
| C19 | C18 | C17 | H18 | 180.0° | 179.7° |
| C19 | C18 | C17 | C16 | 179.8° | 179.7° |
| O23 | C20 | C21 | C22 | 179.9° | 180.0° |
| C20 | O23 | C24 | H24 | 38.9° | 60.0° |
| C20 | O23 | C24 | H24A | 81.1° | 180.0° |
| C20 | O23 | C24 | H24B | 158.9° | 60.0° |
| O23 | C20 | C21 | H21 | 0.2° | 0.0° |
| C21 | C20 | O23 | C24 | 137.5° | 0.0° |
| C20 | C21 | C22 | H21 | 180.0° | 180.0° |
| C20 | C21 | C22 | C17 | 0.1° | 0.0° |
| C20 | C21 | C22 | H22 | 180.0° | 180.0° |
| O23 | C24 | H24 | H24A | 120.0° | 120.0° |
| O23 | C24 | H24 | H24B | 120.0° | 120.0° |
| O23 | C24 | H24A | H24B | 120.0° | 120.0° |
| C21 | C22 | C17 | H22 | 180.0° | 180.0° |
| C21 | C22 | C17 | C18 | 0.6° | 0.3° |
| C21 | C22 | C17 | C16 | 180.0° | 180.0° |
| C22 | C17 | C18 | C16 | 179.3° | 179.8° |
| C22 | C17 | C16 | S15 | 111.2° | 90.0° |
| C17 | C22 | C21 | H21 | 180.0° | 180.0° |
| C22 | C17 | C18 | H18 | 179.1° | 179.7° |
| C22 | C17 | C16 | H16 | 128.7° | 150.0° |
| C22 | C17 | C16 | H16A | 5.1° | 30.0° |
| C18 | C17 | C16 | S15 | 69.4° | 89.8° |
| C18 | C17 | C22 | H22 | 179.3° | 179.8° |
| C18 | C17 | C16 | H16 | 50.6° | 30.2° |
| C18 | C17 | C16 | H16A | 174.3° | 150.3° |
| C17 | C16 | S15 | H16 | 120.0° | 120.0° |
| C17 | C16 | S15 | H16A | 116.3° | 120.0° |
| C17 | C16 | S15 | C12 | 38.4° | 180.0° |
| C16 | C17 | C22 | H22 | 0.0° | 0.0° |
| C16 | C17 | C18 | H18 | 0.2° | 0.0° |
| C17 | C16 | H16 | H16A | 116.8° | 120.0° |
| C16 | S15 | C12 | N13 | 132.3° | 0.0° |
| C16 | S15 | C12 | O11 | 48.4° | 180.0° |
| S15 | C16 | H16 | H16A | 116.7° | 120.0° |
| S15 | C12 | N13 | O11 | 179.4° | 180.0° |
| S15 | C12 | N13 | N14 | 179.8° | 179.9° |
| C12 | S15 | C16 | H16 | 158.4° | 60.0° |
| C12 | S15 | C16 | H16A | 78.0° | 60.0° |
| O11 | C12 | N13 | N14 | 0.8° | 0.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| H24 | C24 | H24A | H24B | 120.0° | 120.0° |
| H21 | C21 | C22 | H22 | 0.0° | 0.1° |
