O9D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C20 | C19 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C19 | sing | 1.38Å | 1.37Å | Aromatic |
| C19 | S16 | sing | 1.76Å | 1.82Å | |
| C07 | C06 | sing | 1.51Å | 1.48Å | |
| F09 | C08 | sing | 1.35Å | 1.38Å | |
| O18 | S16 | doub | 1.42Å | 1.41Å | |
| S16 | O17 | doub | 1.42Å | 1.48Å | |
| S16 | N15 | sing | 1.66Å | 1.68Å | |
| C06 | C08 | doub | 1.38Å | 1.42Å | Aromatic |
| C06 | C05 | sing | 1.38Å | 1.41Å | Aromatic |
| C08 | C10 | sing | 1.40Å | 1.39Å | Aromatic |
| N14 | N15 | sing | 1.40Å | 1.39Å | |
| N14 | C12 | sing | 1.35Å | 1.45Å | |
| C05 | C04 | doub | 1.39Å | 1.40Å | Aromatic |
| C10 | C12 | sing | 1.48Å | 1.53Å | |
| C10 | C11 | doub | 1.40Å | 1.38Å | Aromatic |
| C12 | O13 | doub | 1.22Å | 1.14Å | |
| C04 | C11 | sing | 1.38Å | 1.43Å | Aromatic |
| C04 | O03 | sing | 1.36Å | 1.49Å | |
| C02 | O03 | sing | 1.43Å | 1.41Å | |
| C02 | C01 | sing | 1.53Å | 1.44Å | |
| C20 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C22 | H3 | sing | 1.08Å | 1.08Å | |
| C24 | 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 | |
| N14 | H16 | sing | 0.97Å | 1.00Å | |
| N15 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C21 | C22 | C23 | 119.0° | 120.0° |
| C22 | C21 | C20 | 121.1° | 120.0° |
| C22 | C21 | H2 | 119.5° | 120.0° |
| C21 | C22 | H3 | 120.5° | 120.0° |
| C22 | C23 | C24 | 120.9° | 120.0° |
| C23 | C22 | H3 | 120.5° | 120.0° |
| C22 | C23 | H15 | 119.6° | 120.0° |
| C21 | C20 | C19 | 119.0° | 120.1° |
| C21 | C20 | H1 | 120.5° | 120.0° |
| C20 | C21 | H2 | 119.4° | 120.1° |
| C23 | C24 | C19 | 119.6° | 120.0° |
| C23 | C24 | H4 | 120.2° | 120.0° |
| C24 | C23 | H15 | 119.6° | 120.0° |
| C20 | C19 | C24 | 120.4° | 120.0° |
| C20 | C19 | S16 | 120.4° | 120.0° |
| C19 | C20 | H1 | 120.5° | 120.0° |
| C24 | C19 | S16 | 119.2° | 120.0° |
| C19 | C24 | H4 | 120.2° | 120.0° |
| C19 | S16 | O18 | 112.5° | 106.4° |
| C19 | S16 | O17 | 111.1° | 106.4° |
| C19 | S16 | N15 | 109.4° | 107.2° |
| C07 | C06 | C08 | 120.1° | 119.9° |
| C07 | C06 | C05 | 120.2° | 119.9° |
| C06 | C07 | H11 | 109.5° | 109.4° |
| C06 | C07 | H12 | 109.4° | 109.5° |
| C06 | C07 | H13 | 109.5° | 109.5° |
| F09 | C08 | C06 | 119.8° | 120.1° |
| F09 | C08 | C10 | 120.2° | 120.1° |
| O18 | S16 | O17 | 101.1° | 123.1° |
| O18 | S16 | N15 | 111.3° | 106.4° |
| O17 | S16 | N15 | 111.2° | 106.4° |
| S16 | N15 | N14 | 119.1° | 120.0° |
| S16 | N15 | H17 | 107.0° | 120.0° |
| C08 | C06 | C05 | 119.7° | 120.2° |
| C06 | C08 | C10 | 120.1° | 119.9° |
| C06 | C05 | C04 | 120.2° | 120.2° |
| C06 | C05 | H10 | 119.9° | 119.9° |
| C08 | C10 | C12 | 121.4° | 120.1° |
| C08 | C10 | C11 | 120.2° | 119.8° |
| N15 | N14 | C12 | 124.2° | 120.0° |
| N15 | N14 | H16 | 117.9° | 120.0° |
| N14 | N15 | H17 | 107.0° | 120.0° |
| N14 | C12 | C10 | 119.8° | 120.0° |
| N14 | C12 | O13 | 120.8° | 120.0° |
| C12 | N14 | H16 | 117.9° | 120.0° |
| C05 | C04 | C11 | 119.2° | 120.1° |
| C05 | C04 | O03 | 123.0° | 119.9° |
| C04 | C05 | H10 | 119.9° | 119.9° |
| C12 | C10 | C11 | 118.5° | 120.1° |
| C10 | C12 | O13 | 119.4° | 120.0° |
| C10 | C11 | C04 | 120.7° | 119.8° |
| C10 | C11 | H14 | 119.7° | 120.1° |
| C11 | C04 | O03 | 117.9° | 120.0° |
| C04 | C11 | H14 | 119.7° | 120.1° |
| C04 | O03 | C02 | 116.3° | 117.0° |
| O03 | C02 | C01 | 109.5° | 109.5° |
| O03 | C02 | H8 | 109.4° | 109.5° |
| O03 | C02 | H9 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C01 | C02 | H8 | 109.5° | 109.5° |
| C01 | C02 | H9 | 109.5° | 109.5° |
| H5 | C01 | H6 | 109.4° | 109.4° |
| H5 | C01 | H7 | 109.5° | 109.5° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H8 | C02 | H9 | 109.5° | 109.4° |
| 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) |
| C21 | C22 | C23 | H3 | 180.0° | 180.0° |
| C22 | C21 | C20 | H2 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.1° | 0.3° |
| C22 | C21 | C20 | C19 | 0.1° | 0.0° |
| C22 | C21 | C20 | H1 | 179.9° | 179.7° |
| C21 | C22 | C23 | H15 | 179.9° | 180.0° |
| C23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C22 | C23 | C24 | H15 | 180.0° | 179.7° |
| C22 | C23 | C24 | C19 | 0.2° | 0.5° |
| C23 | C22 | C21 | H2 | 179.9° | 180.0° |
| C22 | C23 | C24 | H4 | 179.8° | 179.9° |
| C21 | C20 | C19 | H1 | 180.0° | 179.7° |
| C21 | C20 | C19 | C24 | 0.1° | 0.3° |
| C21 | C20 | C19 | S16 | 179.6° | 179.7° |
| C20 | C21 | C22 | H3 | 179.9° | 180.0° |
| C23 | C24 | C19 | C20 | 0.2° | 0.5° |
| C23 | C24 | C19 | H4 | 180.0° | 179.4° |
| C23 | C24 | C19 | S16 | 179.6° | 179.5° |
| C24 | C23 | C22 | H3 | 179.9° | 179.7° |
| C20 | C19 | C24 | S16 | 179.4° | 180.0° |
| C20 | C19 | S16 | O18 | 62.5° | 23.5° |
| C20 | C19 | S16 | O17 | 175.1° | 156.4° |
| C20 | C19 | S16 | N15 | 61.7° | 90.0° |
| C19 | C20 | C21 | H2 | 179.9° | 180.0° |
| C20 | C19 | C24 | H4 | 179.8° | 179.9° |
| C24 | C19 | S16 | O18 | 118.1° | 156.4° |
| C24 | C19 | S16 | O17 | 5.5° | 23.5° |
| C24 | C19 | S16 | N15 | 117.7° | 90.0° |
| C24 | C19 | C20 | H1 | 179.9° | 180.0° |
| C19 | C24 | C23 | H15 | 179.9° | 179.8° |
| C19 | S16 | O18 | O17 | 118.6° | 123.0° |
| C19 | S16 | O18 | N15 | 123.1° | 114.1° |
| C19 | S16 | O17 | N15 | 122.1° | 114.1° |
| C19 | S16 | N15 | N14 | 83.3° | 60.0° |
| S16 | C19 | C20 | H1 | 0.5° | 0.0° |
| S16 | C19 | C24 | H4 | 0.4° | 0.0° |
| C19 | S16 | N15 | H17 | 155.3° | 120.0° |
| C07 | C06 | C08 | F09 | 0.4° | 0.0° |
| C07 | C06 | C08 | C05 | 179.9° | 180.0° |
| C07 | C06 | C08 | C10 | 179.9° | 180.0° |
| C07 | C06 | C05 | C04 | 179.8° | 179.8° |
| C07 | C06 | C05 | H10 | 0.2° | 0.1° |
| C06 | C07 | H11 | H12 | 120.0° | 120.0° |
| C06 | C07 | H11 | H13 | 120.0° | 120.0° |
| C06 | C07 | H12 | H13 | 120.0° | 120.0° |
| F09 | C08 | C06 | C10 | 179.5° | 179.9° |
| F09 | C08 | C06 | C05 | 179.7° | 179.9° |
| F09 | C08 | C10 | C12 | 0.5° | 0.0° |
| F09 | C08 | C10 | C11 | 179.8° | 179.8° |
| O18 | S16 | O17 | N15 | 118.3° | 122.9° |
| O18 | S16 | N15 | N14 | 41.6° | 173.6° |
| O18 | S16 | N15 | H17 | 79.7° | 6.5° |
| O17 | S16 | N15 | N14 | 153.6° | 53.6° |
| O17 | S16 | N15 | H17 | 32.2° | 126.4° |
| S16 | N15 | N14 | H17 | 121.4° | 180.0° |
| S16 | N15 | N14 | C12 | 102.0° | 125.0° |
| S16 | N15 | N14 | H16 | 78.0° | 55.0° |
| C08 | C06 | C05 | C04 | 0.1° | 0.3° |
| C06 | C08 | C10 | C12 | 179.9° | 180.0° |
| C06 | C08 | C10 | C11 | 0.4° | 0.3° |
| C08 | C06 | C05 | H10 | 179.9° | 179.9° |
| C08 | C06 | C07 | H11 | 90.0° | 90.0° |
| C08 | C06 | C07 | H12 | 150.0° | 150.0° |
| C08 | C06 | C07 | H13 | 29.9° | 30.0° |
| C05 | C06 | C08 | C10 | 0.3° | 0.0° |
| C06 | C05 | C04 | H10 | 180.0° | 179.7° |
| C06 | C05 | C04 | C11 | 0.2° | 0.3° |
| C06 | C05 | C04 | O03 | 179.9° | 179.8° |
| C05 | C06 | C07 | H11 | 90.1° | 90.0° |
| C05 | C06 | C07 | H12 | 29.9° | 29.9° |
| C05 | C06 | C07 | H13 | 149.9° | 149.9° |
| C08 | C10 | C12 | N14 | 32.5° | 179.7° |
| C08 | C10 | C12 | C11 | 179.7° | 179.7° |
| C08 | C10 | C12 | O13 | 147.7° | 0.2° |
| C08 | C10 | C11 | C04 | 0.2° | 0.3° |
| C08 | C10 | C11 | H14 | 179.8° | 179.8° |
| N15 | N14 | C12 | H16 | 180.0° | 180.0° |
| N15 | N14 | C12 | C10 | 179.8° | 180.0° |
| N15 | N14 | C12 | O13 | 0.3° | 0.0° |
| N14 | C12 | C10 | O13 | 179.9° | 180.0° |
| N14 | C12 | C10 | C11 | 147.3° | 0.0° |
| C12 | N14 | N15 | H17 | 19.4° | 55.0° |
| C05 | C04 | C11 | C10 | 0.1° | 0.0° |
| C05 | C04 | C11 | O03 | 179.7° | 180.0° |
| C05 | C04 | O03 | C02 | 28.7° | 180.0° |
| C05 | C04 | C11 | H14 | 179.9° | 180.0° |
| C12 | C10 | C11 | C04 | 179.9° | 180.0° |
| C12 | C10 | C11 | H14 | 0.1° | 0.0° |
| C10 | C12 | N14 | H16 | 0.2° | 0.0° |
| C11 | C10 | C12 | O13 | 32.6° | 180.0° |
| C10 | C11 | C04 | H14 | 180.0° | 179.9° |
| C10 | C11 | C04 | O03 | 179.8° | 180.0° |
| O13 | C12 | N14 | H16 | 179.7° | 180.0° |
| C11 | C04 | O03 | C02 | 151.7° | 0.0° |
| C11 | C04 | C05 | H10 | 179.8° | 179.9° |
| C04 | O03 | C02 | C01 | 162.1° | 180.0° |
| C04 | O03 | C02 | H8 | 42.1° | 60.0° |
| C04 | O03 | C02 | H9 | 77.9° | 59.9° |
| O03 | C04 | C05 | H10 | 0.1° | 0.1° |
| O03 | C04 | C11 | H14 | 0.2° | 0.0° |
| O03 | C02 | C01 | H8 | 120.0° | 120.0° |
| O03 | C02 | C01 | H9 | 120.0° | 120.0° |
| O03 | C02 | C01 | H5 | 180.0° | 179.9° |
| O03 | C02 | C01 | H6 | 60.0° | 60.0° |
| O03 | C02 | C01 | H7 | 60.0° | 60.0° |
| O03 | C02 | H8 | H9 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H7 | 120.0° | 120.0° |
| C02 | C01 | H6 | H7 | 120.0° | 120.0° |
| C01 | C02 | H8 | H9 | 120.0° | 120.0° |
| H1 | C20 | C21 | H2 | 0.1° | 0.3° |
| H2 | C21 | C22 | H3 | 0.1° | 0.0° |
| H3 | C22 | C23 | H15 | 0.1° | 0.0° |
| H4 | C24 | C23 | H15 | 0.1° | 0.3° |
| H5 | C01 | H6 | H7 | 120.0° | 120.0° |
| H5 | C01 | C02 | H8 | 60.0° | 59.9° |
| H5 | C01 | C02 | H9 | 60.0° | 60.0° |
| H6 | C01 | C02 | H8 | 180.0° | 60.0° |
| H6 | C01 | C02 | H9 | 60.0° | 180.0° |
| H7 | C01 | C02 | H8 | 60.0° | 180.0° |
| H7 | C01 | C02 | H9 | 180.0° | 60.0° |
| H11 | C07 | H12 | H13 | 120.0° | 120.1° |
| H16 | N14 | N15 | H17 | 160.6° | 125.0° |
