O9P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C25 | C20 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.39Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C20 | S17 | sing | 1.76Å | 1.78Å | |
| F04 | C03 | sing | 1.35Å | 1.33Å | |
| C02 | C03 | doub | 1.38Å | 1.39Å | Aromatic |
| C02 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| O18 | S17 | doub | 1.42Å | 1.43Å | |
| C03 | C05 | sing | 1.40Å | 1.40Å | Aromatic |
| S17 | O19 | doub | 1.42Å | 1.43Å | |
| S17 | N16 | sing | 1.66Å | 1.65Å | |
| C12 | C07 | doub | 1.39Å | 1.40Å | Aromatic |
| N15 | N16 | sing | 1.40Å | 1.39Å | |
| N15 | C13 | sing | 1.35Å | 1.43Å | |
| C05 | C13 | sing | 1.48Å | 1.51Å | |
| C05 | C06 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | O14 | doub | 1.22Å | 1.22Å | |
| C07 | C06 | sing | 1.38Å | 1.38Å | Aromatic |
| C07 | O08 | sing | 1.36Å | 1.40Å | |
| C09 | O08 | sing | 1.43Å | 1.41Å | |
| C09 | C10 | sing | 1.51Å | 1.53Å | |
| C10 | C11 | doub | 1.31Å | 1.34Å | |
| C10 | 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 | |
| C06 | H8 | sing | 1.08Å | 1.08Å | |
| C09 | H9 | sing | 1.09Å | 1.10Å | |
| C09 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C11 | H12 | sing | 1.08Å | 1.08Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C23 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| N15 | H16 | sing | 0.97Å | 1.00Å | |
| N16 | H17 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C24 | C23 | C22 | 120.2° | 120.0° |
| C23 | C24 | C25 | 120.2° | 120.0° |
| C23 | C24 | H4 | 119.9° | 120.1° |
| C24 | C23 | H14 | 119.9° | 119.9° |
| C23 | C22 | C21 | 119.6° | 120.0° |
| C23 | C22 | H3 | 120.2° | 120.0° |
| C22 | C23 | H14 | 119.9° | 120.0° |
| C24 | C25 | C20 | 119.4° | 120.0° |
| C25 | C24 | H4 | 119.9° | 120.0° |
| C24 | C25 | H15 | 120.3° | 120.0° |
| C22 | C21 | C20 | 120.3° | 120.0° |
| C22 | C21 | H2 | 119.8° | 119.9° |
| C21 | C22 | H3 | 120.2° | 120.0° |
| C25 | C20 | C21 | 120.3° | 120.0° |
| C25 | C20 | S17 | 119.8° | 120.0° |
| C20 | C25 | H15 | 120.3° | 120.0° |
| C21 | C20 | S17 | 119.9° | 120.0° |
| C20 | C21 | H2 | 119.8° | 120.1° |
| C01 | C02 | C03 | 119.1° | 119.9° |
| C01 | C02 | C12 | 121.0° | 119.9° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C20 | S17 | O18 | 109.2° | 106.4° |
| C20 | S17 | O19 | 109.2° | 106.4° |
| C20 | S17 | N16 | 111.7° | 107.2° |
| F04 | C03 | C02 | 119.6° | 120.0° |
| F04 | C03 | C05 | 119.9° | 120.1° |
| C03 | C02 | C12 | 120.0° | 120.2° |
| C02 | C03 | C05 | 120.4° | 119.9° |
| C02 | C12 | C07 | 119.1° | 120.3° |
| C02 | C12 | H13 | 120.5° | 119.8° |
| O18 | S17 | O19 | 104.0° | 123.1° |
| O18 | S17 | N16 | 109.9° | 106.4° |
| C03 | C05 | C13 | 121.0° | 120.2° |
| C03 | C05 | C06 | 119.8° | 119.7° |
| O19 | S17 | N16 | 112.6° | 106.4° |
| S17 | N16 | N15 | 119.5° | 120.0° |
| S17 | N16 | H17 | 106.9° | 120.0° |
| C12 | C07 | C06 | 120.8° | 120.1° |
| C12 | C07 | O08 | 121.8° | 119.9° |
| C07 | C12 | H13 | 120.4° | 119.9° |
| N16 | N15 | C13 | 122.8° | 120.0° |
| N16 | N15 | H16 | 118.6° | 120.0° |
| N15 | N16 | H17 | 106.9° | 120.0° |
| N15 | C13 | C05 | 119.5° | 120.0° |
| N15 | C13 | O14 | 121.0° | 120.0° |
| C13 | N15 | H16 | 118.6° | 120.0° |
| C13 | C05 | C06 | 119.2° | 120.1° |
| C05 | C13 | O14 | 119.4° | 120.0° |
| C05 | C06 | C07 | 119.9° | 119.8° |
| C05 | C06 | H8 | 120.0° | 120.1° |
| C06 | C07 | O08 | 117.4° | 120.0° |
| C07 | C06 | H8 | 120.0° | 120.1° |
| C07 | O08 | C09 | 115.6° | 117.0° |
| O08 | C09 | C10 | 109.2° | 109.5° |
| O08 | C09 | H9 | 109.6° | 109.5° |
| O08 | C09 | H10 | 109.5° | 109.5° |
| C09 | C10 | C11 | 121.6° | 120.0° |
| C09 | C10 | H1 | 119.2° | 119.9° |
| C10 | C09 | H9 | 109.6° | 109.5° |
| C10 | C09 | H10 | 109.6° | 109.4° |
| C11 | C10 | H1 | 119.2° | 120.1° |
| C10 | C11 | H11 | 120.0° | 120.0° |
| C10 | C11 | H12 | 120.0° | 120.1° |
| H5 | C01 | H6 | 109.5° | 109.5° |
| H5 | C01 | H7 | 109.5° | 109.4° |
| H6 | C01 | H7 | 109.5° | 109.5° |
| H9 | C09 | H10 | 109.4° | 109.5° |
| H11 | C11 | H12 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C24 | C23 | C22 | H14 | 180.0° | 179.7° |
| C23 | C24 | C25 | H4 | 180.0° | 179.4° |
| C24 | C23 | C22 | C21 | 0.2° | 0.0° |
| C23 | C24 | C25 | C20 | 0.5° | 0.6° |
| C24 | C23 | C22 | H3 | 179.8° | 180.0° |
| C23 | C24 | C25 | H15 | 179.5° | 180.0° |
| C22 | C23 | C24 | C25 | 0.6° | 0.3° |
| C23 | C22 | C21 | H3 | 180.0° | 179.9° |
| C23 | C22 | C21 | C20 | 0.3° | 0.0° |
| C23 | C22 | C21 | H2 | 179.7° | 180.0° |
| C22 | C23 | C24 | H4 | 179.4° | 179.7° |
| C24 | C25 | C20 | H15 | 180.0° | 179.4° |
| C24 | C25 | C20 | C21 | 0.0° | 0.6° |
| C24 | C25 | C20 | S17 | 179.7° | 179.7° |
| C25 | C24 | C23 | H14 | 179.4° | 180.0° |
| C22 | C21 | C20 | C25 | 0.4° | 0.3° |
| C22 | C21 | C20 | H2 | 180.0° | 180.0° |
| C22 | C21 | C20 | S17 | 179.8° | 180.0° |
| C21 | C22 | C23 | H14 | 179.8° | 179.7° |
| C25 | C20 | C21 | S17 | 179.8° | 179.7° |
| C25 | C20 | S17 | O18 | 56.6° | 23.3° |
| C25 | C20 | S17 | O19 | 169.7° | 156.2° |
| C25 | C20 | S17 | N16 | 65.1° | 90.3° |
| C25 | C20 | C21 | H2 | 179.6° | 179.7° |
| C20 | C25 | C24 | H4 | 179.5° | 180.0° |
| C21 | C20 | S17 | O18 | 123.1° | 156.5° |
| C21 | C20 | S17 | O19 | 10.1° | 23.6° |
| C21 | C20 | S17 | N16 | 115.1° | 90.0° |
| C20 | C21 | C22 | H3 | 179.7° | 180.0° |
| C21 | C20 | C25 | H15 | 180.0° | 180.0° |
| C01 | C02 | C03 | F04 | 0.6° | 0.0° |
| C01 | C02 | C03 | C12 | 179.5° | 179.7° |
| C01 | C02 | C03 | C05 | 179.5° | 180.0° |
| C01 | C02 | C12 | C07 | 179.7° | 179.7° |
| 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 | C12 | H13 | 0.2° | 0.0° |
| C20 | S17 | O18 | O19 | 116.4° | 122.9° |
| C20 | S17 | O18 | N16 | 122.8° | 114.1° |
| C20 | S17 | O19 | N16 | 124.6° | 114.1° |
| C20 | S17 | N16 | N15 | 73.4° | 60.0° |
| S17 | C20 | C21 | H2 | 0.2° | 0.0° |
| S17 | C20 | C25 | H15 | 0.2° | 0.3° |
| C20 | S17 | N16 | H17 | 165.2° | 120.0° |
| F04 | C03 | C02 | C05 | 179.0° | 179.9° |
| F04 | C03 | C02 | C12 | 179.0° | 179.8° |
| F04 | C03 | C05 | C13 | 1.1° | 0.0° |
| F04 | C03 | C05 | C06 | 178.9° | 180.0° |
| C03 | C02 | C12 | C07 | 0.2° | 0.5° |
| C02 | C03 | C05 | C13 | 180.0° | 180.0° |
| C02 | C03 | C05 | C06 | 0.1° | 0.0° |
| C03 | C02 | C01 | H5 | 89.8° | 90.0° |
| C03 | C02 | C01 | H6 | 150.2° | 150.0° |
| C03 | C02 | C01 | H7 | 30.3° | 30.0° |
| C03 | C02 | C12 | H13 | 179.8° | 179.8° |
| C12 | C02 | C03 | C05 | 0.0° | 0.3° |
| C02 | C12 | C07 | H13 | 180.0° | 179.7° |
| C02 | C12 | C07 | C06 | 0.5° | 0.5° |
| C02 | C12 | C07 | O08 | 179.7° | 179.7° |
| C12 | C02 | C01 | H5 | 89.8° | 90.3° |
| C12 | C02 | C01 | H6 | 30.2° | 29.7° |
| C12 | C02 | C01 | H7 | 150.2° | 149.7° |
| O18 | S17 | O19 | N16 | 118.9° | 122.9° |
| O18 | S17 | N16 | N15 | 47.9° | 53.6° |
| O18 | S17 | N16 | H17 | 73.5° | 126.4° |
| C03 | C05 | C13 | N15 | 36.4° | 180.0° |
| C03 | C05 | C13 | C06 | 180.0° | 180.0° |
| C03 | C05 | C13 | O14 | 144.2° | 0.0° |
| C03 | C05 | C06 | C07 | 0.4° | 0.0° |
| C03 | C05 | C06 | H8 | 179.6° | 180.0° |
| O19 | S17 | N16 | N15 | 163.4° | 173.6° |
| O19 | S17 | N16 | H17 | 41.9° | 6.4° |
| S17 | N16 | N15 | H17 | 121.4° | 180.0° |
| S17 | N16 | N15 | C13 | 103.1° | 125.0° |
| S17 | N16 | N15 | H16 | 76.9° | 54.9° |
| C12 | C07 | C06 | C05 | 0.6° | 0.2° |
| C12 | C07 | C06 | O08 | 179.8° | 179.8° |
| C12 | C07 | O08 | C09 | 31.1° | 179.7° |
| C12 | C07 | C06 | H8 | 179.4° | 179.8° |
| N16 | N15 | C13 | H16 | 180.0° | 179.9° |
| N16 | N15 | C13 | C05 | 179.9° | 180.0° |
| N16 | N15 | C13 | O14 | 0.7° | 0.0° |
| N15 | C13 | C05 | O14 | 179.4° | 179.9° |
| N15 | C13 | C05 | C06 | 143.6° | 0.0° |
| C13 | N15 | N16 | H17 | 18.4° | 55.0° |
| C13 | C05 | C06 | C07 | 179.6° | 180.0° |
| C13 | C05 | C06 | H8 | 0.3° | 0.0° |
| C05 | C13 | N15 | H16 | 0.1° | 0.0° |
| C06 | C05 | C13 | O14 | 35.7° | 180.0° |
| C05 | C06 | C07 | H8 | 180.0° | 180.0° |
| C05 | C06 | C07 | O08 | 179.6° | 179.9° |
| O14 | C13 | N15 | H16 | 179.2° | 179.9° |
| C06 | C07 | O08 | C09 | 149.1° | 0.1° |
| C06 | C07 | C12 | H13 | 179.5° | 179.8° |
| C07 | O08 | C09 | C10 | 172.4° | 180.0° |
| O08 | C07 | C06 | H8 | 0.4° | 0.1° |
| C07 | O08 | C09 | H9 | 52.4° | 59.9° |
| C07 | O08 | C09 | H10 | 67.6° | 60.1° |
| O08 | C07 | C12 | H13 | 0.3° | 0.0° |
| O08 | C09 | C10 | H9 | 120.0° | 120.1° |
| O08 | C09 | C10 | H10 | 120.0° | 120.0° |
| O08 | C09 | C10 | C11 | 3.2° | 135.0° |
| O08 | C09 | C10 | H1 | 176.8° | 45.3° |
| O08 | C09 | H9 | H10 | 120.1° | 120.0° |
| C09 | C10 | C11 | H1 | 180.0° | 179.7° |
| C10 | C09 | H9 | H10 | 120.1° | 119.9° |
| C09 | C10 | C11 | H11 | 180.0° | 179.7° |
| C09 | C10 | C11 | H12 | 0.0° | 0.3° |
| C11 | C10 | C09 | H9 | 116.7° | 105.0° |
| C11 | C10 | C09 | H10 | 123.2° | 15.0° |
| C10 | C11 | H11 | H12 | 180.0° | 180.0° |
| H1 | C10 | C09 | H9 | 63.3° | 74.7° |
| H1 | C10 | C09 | H10 | 56.8° | 165.3° |
| H1 | C10 | C11 | H11 | 0.0° | 0.0° |
| H1 | C10 | C11 | H12 | 180.0° | 180.0° |
| H2 | C21 | C22 | H3 | 0.3° | 0.0° |
| H3 | C22 | C23 | H14 | 0.2° | 0.2° |
| H4 | C24 | C23 | H14 | 0.6° | 0.6° |
| H4 | C24 | C25 | H15 | 0.5° | 0.6° |
| H5 | C01 | H6 | H7 | 120.0° | 119.9° |
| H16 | N15 | N16 | H17 | 161.6° | 125.1° |
