O9A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C24 | C23 | doub | 1.36Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.39Å | 1.40Å | Aromatic |
| C23 | C22 | sing | 1.41Å | 1.43Å | Aromatic |
| C25 | C26 | doub | 1.36Å | 1.39Å | Aromatic |
| C22 | C27 | sing | 1.40Å | 1.43Å | Aromatic |
| C22 | C21 | doub | 1.42Å | 1.36Å | Aromatic |
| C27 | C28 | doub | 1.36Å | 1.39Å | Aromatic |
| C26 | C21 | sing | 1.41Å | 1.42Å | Aromatic |
| C21 | C20 | sing | 1.40Å | 1.43Å | Aromatic |
| C28 | C19 | sing | 1.39Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.36Å | 1.39Å | Aromatic |
| C07 | C06 | sing | 1.51Å | 1.52Å | |
| C19 | S16 | sing | 1.76Å | 1.77Å | |
| F09 | C08 | sing | 1.35Å | 1.33Å | |
| C06 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.39Å | Aromatic |
| O18 | S16 | doub | 1.42Å | 1.43Å | |
| C08 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| S16 | O17 | doub | 1.42Å | 1.44Å | |
| S16 | N15 | sing | 1.66Å | 1.65Å | |
| C05 | C04 | doub | 1.39Å | 1.39Å | Aromatic |
| N14 | N15 | sing | 1.40Å | 1.39Å | |
| N14 | C12 | sing | 1.35Å | 1.43Å | |
| C10 | C12 | sing | 1.48Å | 1.51Å | |
| C10 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | O13 | doub | 1.22Å | 1.22Å | |
| C04 | C11 | sing | 1.38Å | 1.38Å | Aromatic |
| C04 | O03 | sing | 1.36Å | 1.40Å | |
| O03 | C02 | sing | 1.43Å | 1.40Å | |
| C02 | C01 | sing | 1.53Å | 1.51Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C24 | H2 | sing | 1.08Å | 1.08Å | |
| C26 | H3 | sing | 1.08Å | 1.08Å | |
| C28 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C02 | H9 | sing | 1.09Å | 1.10Å | |
| C05 | H10 | sing | 1.08Å | 1.08Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C07 | H12 | sing | 1.09Å | 1.10Å | |
| C07 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.08Å | 1.08Å | |
| C23 | H15 | sing | 1.08Å | 1.08Å | |
| C25 | H16 | sing | 1.08Å | 1.08Å | |
| C27 | H17 | sing | 1.08Å | 1.08Å | |
| N14 | H18 | sing | 0.97Å | 1.00Å | |
| N15 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C24 | C25 | 120.2° | 121.0° |
| C24 | C23 | C22 | 119.7° | 119.6° |
| C23 | C24 | H2 | 119.9° | 119.5° |
| C24 | C23 | H15 | 120.1° | 120.2° |
| C24 | C25 | C26 | 120.0° | 121.0° |
| C25 | C24 | H2 | 119.9° | 119.5° |
| C24 | C25 | H16 | 120.0° | 119.5° |
| C23 | C22 | C27 | 119.9° | 121.3° |
| C23 | C22 | C21 | 120.0° | 119.4° |
| C22 | C23 | H15 | 120.1° | 120.2° |
| C25 | C26 | C21 | 119.9° | 119.7° |
| C25 | C26 | H3 | 120.1° | 120.1° |
| C26 | C25 | H16 | 120.0° | 119.5° |
| C27 | C22 | C21 | 120.1° | 119.4° |
| C22 | C27 | C28 | 120.0° | 119.7° |
| C22 | C27 | H17 | 120.0° | 120.2° |
| C22 | C21 | C26 | 120.2° | 119.4° |
| C22 | C21 | C20 | 119.9° | 119.3° |
| C27 | C28 | C19 | 119.7° | 121.0° |
| C27 | C28 | H4 | 120.2° | 119.5° |
| C28 | C27 | H17 | 120.0° | 120.1° |
| C26 | C21 | C20 | 119.9° | 121.3° |
| C21 | C26 | H3 | 120.1° | 120.2° |
| C21 | C20 | C19 | 119.6° | 119.7° |
| C21 | C20 | H1 | 120.2° | 120.2° |
| C28 | C19 | C20 | 120.7° | 120.9° |
| C28 | C19 | S16 | 119.9° | 119.5° |
| C19 | C28 | H4 | 120.1° | 119.5° |
| C20 | C19 | S16 | 119.4° | 119.5° |
| C19 | C20 | H1 | 120.2° | 120.1° |
| C07 | C06 | C08 | 119.2° | 119.9° |
| C07 | C06 | C05 | 120.8° | 119.9° |
| C06 | C07 | H11 | 109.5° | 109.4° |
| C06 | C07 | H12 | 109.5° | 109.5° |
| C06 | C07 | H13 | 109.5° | 109.5° |
| C19 | S16 | O18 | 107.1° | 106.4° |
| C19 | S16 | O17 | 108.5° | 106.4° |
| C19 | S16 | N15 | 113.3° | 107.2° |
| F09 | C08 | C06 | 119.0° | 120.1° |
| F09 | C08 | C10 | 120.5° | 120.0° |
| C08 | C06 | C05 | 120.0° | 120.2° |
| C06 | C08 | C10 | 120.5° | 119.9° |
| C06 | C05 | C04 | 119.4° | 120.3° |
| C06 | C05 | H10 | 120.3° | 119.8° |
| O18 | S16 | O17 | 102.4° | 123.2° |
| O18 | S16 | N15 | 111.1° | 106.4° |
| C08 | C10 | C12 | 121.2° | 120.2° |
| C08 | C10 | C11 | 119.6° | 119.7° |
| O17 | S16 | N15 | 113.7° | 106.4° |
| S16 | N15 | N14 | 119.8° | 120.0° |
| S16 | N15 | H19 | 106.8° | 120.0° |
| C05 | C04 | C11 | 120.3° | 120.1° |
| C05 | C04 | O03 | 120.9° | 119.9° |
| C04 | C05 | H10 | 120.3° | 119.9° |
| N15 | N14 | C12 | 123.4° | 120.0° |
| N15 | N14 | H18 | 118.3° | 120.0° |
| N14 | N15 | H19 | 106.9° | 120.0° |
| N14 | C12 | C10 | 119.8° | 120.1° |
| N14 | C12 | O13 | 121.2° | 120.0° |
| C12 | N14 | H18 | 118.3° | 120.0° |
| C12 | C10 | C11 | 119.1° | 120.1° |
| C10 | C12 | O13 | 119.0° | 120.0° |
| C10 | C11 | C04 | 120.2° | 119.8° |
| C10 | C11 | H14 | 119.9° | 120.1° |
| C11 | C04 | O03 | 118.8° | 120.0° |
| C04 | C11 | H14 | 119.9° | 120.1° |
| C04 | O03 | C02 | 117.2° | 117.0° |
| O03 | C02 | C01 | 106.4° | 109.4° |
| O03 | C02 | H8 | 110.2° | 109.4° |
| O03 | C02 | H9 | 110.2° | 109.4° |
| C02 | C01 | H5 | 109.5° | 109.4° |
| C02 | C01 | H6 | 109.5° | 109.4° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 110.2° | 109.5° |
| C01 | C02 | H9 | 110.2° | 109.5° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.4° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.5° |
| H11 | C07 | H12 | 109.5° | 109.5° |
| H11 | C07 | H13 | 109.4° | 109.5° |
| H12 | C07 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C24 | C25 | H2 | 180.0° | 179.9° |
| C24 | C23 | C22 | H15 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.2° | 0.1° |
| C24 | C23 | C22 | C27 | 179.9° | 180.0° |
| C24 | C23 | C22 | C21 | 0.0° | 0.0° |
| C23 | C24 | C25 | H16 | 179.9° | 179.9° |
| C25 | C24 | C23 | C22 | 0.0° | 0.1° |
| C24 | C25 | C26 | H16 | 180.0° | 179.9° |
| C24 | C25 | C26 | C21 | 0.3° | 0.1° |
| C24 | C25 | C26 | H3 | 179.7° | 179.9° |
| C25 | C24 | C23 | H15 | 179.9° | 179.9° |
| C23 | C22 | C27 | C21 | 180.0° | 180.0° |
| C23 | C22 | C27 | C28 | 179.9° | 179.7° |
| C23 | C22 | C21 | C26 | 0.1° | 0.0° |
| C23 | C22 | C21 | C20 | 179.9° | 180.0° |
| C22 | C23 | C24 | H2 | 179.9° | 180.0° |
| C23 | C22 | C27 | H17 | 0.1° | 0.0° |
| C25 | C26 | C21 | C22 | 0.3° | 0.0° |
| C25 | C26 | C21 | H3 | 180.0° | 180.0° |
| C25 | C26 | C21 | C20 | 180.0° | 180.0° |
| C26 | C25 | C24 | H2 | 179.8° | 180.0° |
| C22 | C27 | C28 | H17 | 180.0° | 179.7° |
| C27 | C22 | C21 | C26 | 179.8° | 180.0° |
| C27 | C22 | C21 | C20 | 0.1° | 0.0° |
| C22 | C27 | C28 | C19 | 0.5° | 0.5° |
| C22 | C27 | C28 | H4 | 179.6° | 180.0° |
| C27 | C22 | C23 | H15 | 0.1° | 0.0° |
| C21 | C22 | C27 | C28 | 0.1° | 0.3° |
| C22 | C21 | C26 | C20 | 179.7° | 180.0° |
| C22 | C21 | C20 | C19 | 0.6° | 0.0° |
| C22 | C21 | C20 | H1 | 179.5° | 179.8° |
| C22 | C21 | C26 | H3 | 179.7° | 180.0° |
| C21 | C22 | C23 | H15 | 179.9° | 180.0° |
| C21 | C22 | C27 | H17 | 179.9° | 180.0° |
| C27 | C28 | C19 | H4 | 180.0° | 179.5° |
| C27 | C28 | C19 | C20 | 0.9° | 0.4° |
| C27 | C28 | C19 | S16 | 179.1° | 179.5° |
| C26 | C21 | C20 | C19 | 179.7° | 180.0° |
| C26 | C21 | C20 | H1 | 0.2° | 0.2° |
| C21 | C26 | C25 | H16 | 179.7° | 180.0° |
| C21 | C20 | C19 | C28 | 1.0° | 0.2° |
| C21 | C20 | C19 | H1 | 180.0° | 179.8° |
| C21 | C20 | C19 | S16 | 179.2° | 179.7° |
| C20 | C21 | C26 | H3 | 0.0° | 0.1° |
| C28 | C19 | C20 | S16 | 178.2° | 179.9° |
| C28 | C19 | S16 | O18 | 63.8° | 156.4° |
| C28 | C19 | S16 | O17 | 173.7° | 23.5° |
| C28 | C19 | S16 | N15 | 59.1° | 90.0° |
| C28 | C19 | C20 | H1 | 179.1° | 180.0° |
| C19 | C28 | C27 | H17 | 179.5° | 179.8° |
| C20 | C19 | S16 | O18 | 114.4° | 23.5° |
| C20 | C19 | S16 | O17 | 4.5° | 156.4° |
| C20 | C19 | S16 | N15 | 122.7° | 90.1° |
| C20 | C19 | C28 | H4 | 179.1° | 180.0° |
| C07 | C06 | C08 | F09 | 0.2° | 0.0° |
| C07 | C06 | C08 | C05 | 179.8° | 180.0° |
| C07 | C06 | C08 | C10 | 179.8° | 180.0° |
| C07 | C06 | C05 | C04 | 179.8° | 179.7° |
| C07 | C06 | C05 | H10 | 0.2° | 0.0° |
| C06 | C07 | H11 | H12 | 120.0° | 120.0° |
| C06 | C07 | H11 | H13 | 120.0° | 120.0° |
| C06 | C07 | H12 | H13 | 120.0° | 120.0° |
| C19 | S16 | O18 | O17 | 114.0° | 122.9° |
| C19 | S16 | O18 | N15 | 124.2° | 114.1° |
| C19 | S16 | O17 | N15 | 127.0° | 114.1° |
| C19 | S16 | N15 | N14 | 78.5° | 60.0° |
| S16 | C19 | C20 | H1 | 0.8° | 0.1° |
| S16 | C19 | C28 | H4 | 0.9° | 0.1° |
| C19 | S16 | N15 | H19 | 160.0° | 120.0° |
| F09 | C08 | C06 | C10 | 179.6° | 180.0° |
| F09 | C08 | C06 | C05 | 179.6° | 180.0° |
| F09 | C08 | C10 | C12 | 0.4° | 0.0° |
| F09 | C08 | C10 | C11 | 179.7° | 179.8° |
| C08 | C06 | C05 | C04 | 0.4° | 0.3° |
| C06 | C08 | C10 | C12 | 180.0° | 180.0° |
| C06 | C08 | C10 | C11 | 0.0° | 0.2° |
| C08 | C06 | C05 | H10 | 179.5° | 180.0° |
| C08 | C06 | C07 | H11 | 89.9° | 90.0° |
| C08 | C06 | C07 | H12 | 150.1° | 150.0° |
| C08 | C06 | C07 | H13 | 30.1° | 30.0° |
| C05 | C06 | C08 | C10 | 0.0° | 0.0° |
| C06 | C05 | C04 | H10 | 180.0° | 179.7° |
| C06 | C05 | C04 | C11 | 0.8° | 0.3° |
| C06 | C05 | C04 | O03 | 179.0° | 179.8° |
| C05 | C06 | C07 | H11 | 89.9° | 90.0° |
| C05 | C06 | C07 | H12 | 30.1° | 30.0° |
| C05 | C06 | C07 | H13 | 150.1° | 150.0° |
| O18 | S16 | O17 | N15 | 120.0° | 123.0° |
| O18 | S16 | N15 | N14 | 42.1° | 173.5° |
| O18 | S16 | N15 | H19 | 79.3° | 6.5° |
| C08 | C10 | C12 | N14 | 33.2° | 179.8° |
| C08 | C10 | C12 | C11 | 179.9° | 179.8° |
| C08 | C10 | C12 | O13 | 147.0° | 0.3° |
| C08 | C10 | C11 | C04 | 0.3° | 0.2° |
| C08 | C10 | C11 | H14 | 179.6° | 179.7° |
| O17 | S16 | N15 | N14 | 157.1° | 53.5° |
| O17 | S16 | N15 | H19 | 35.6° | 126.5° |
| S16 | N15 | N14 | H19 | 121.5° | 180.0° |
| S16 | N15 | N14 | C12 | 100.5° | 125.0° |
| S16 | N15 | N14 | H18 | 79.5° | 55.1° |
| C05 | C04 | C11 | C10 | 0.8° | 0.1° |
| C05 | C04 | C11 | O03 | 178.2° | 179.9° |
| C05 | C04 | O03 | C02 | 66.9° | 180.0° |
| C05 | C04 | C11 | H14 | 179.2° | 180.0° |
| N15 | N14 | C12 | H18 | 180.0° | 179.9° |
| N15 | N14 | C12 | C10 | 179.9° | 180.0° |
| N15 | N14 | C12 | O13 | 0.3° | 0.0° |
| N14 | C12 | C10 | O13 | 179.8° | 180.0° |
| N14 | C12 | C10 | C11 | 146.7° | 0.0° |
| C12 | N14 | N15 | H19 | 21.0° | 55.0° |
| C12 | C10 | C11 | C04 | 179.6° | 179.9° |
| C12 | C10 | C11 | H14 | 0.4° | 0.1° |
| C10 | C12 | N14 | H18 | 0.1° | 0.1° |
| C11 | C10 | C12 | O13 | 33.1° | 180.0° |
| C10 | C11 | C04 | H14 | 180.0° | 179.9° |
| C10 | C11 | C04 | O03 | 179.0° | 180.0° |
| O13 | C12 | N14 | H18 | 179.7° | 180.0° |
| C11 | C04 | O03 | C02 | 114.9° | 0.1° |
| C11 | C04 | C05 | H10 | 179.2° | 180.0° |
| C04 | O03 | C02 | C01 | 167.2° | 180.0° |
| C04 | O03 | C02 | H8 | 47.7° | 60.0° |
| C04 | O03 | C02 | H9 | 73.2° | 59.9° |
| O03 | C04 | C05 | H10 | 1.0° | 0.1° |
| O03 | C04 | C11 | H14 | 1.0° | 0.2° |
| O03 | C02 | C01 | H8 | 119.5° | 120.0° |
| O03 | C02 | C01 | H9 | 119.5° | 120.0° |
| O03 | C02 | C01 | H5 | 180.0° | 180.0° |
| O03 | C02 | C01 | H6 | 60.0° | 60.0° |
| O03 | C02 | C01 | H7 | 60.0° | 60.0° |
| O03 | C02 | H8 | H9 | 121.4° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 119.9° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | H8 | H9 | 121.4° | 120.1° |
| H2 | C24 | C23 | H15 | 0.1° | 0.0° |
| H2 | C24 | C25 | H16 | 0.1° | 0.1° |
| H3 | C26 | C25 | H16 | 0.3° | 0.0° |
| H4 | C28 | C27 | H17 | 0.5° | 0.3° |
| H5 | C01 | H6 | H7 | 120.0° | 120.1° |
| H5 | C01 | C02 | H8 | 60.5° | 60.0° |
| H5 | C01 | C02 | H9 | 60.5° | 60.1° |
| H6 | C01 | C02 | H8 | 179.5° | 60.0° |
| H6 | C01 | C02 | H9 | 59.5° | 180.0° |
| H7 | C01 | C02 | H8 | 59.5° | 180.0° |
| H7 | C01 | C02 | H9 | 179.5° | 59.9° |
| H11 | C07 | H12 | H13 | 120.0° | 120.0° |
| H18 | N14 | N15 | H19 | 159.0° | 124.9° |
