O9V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C23 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | C25 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.43Å | Aromatic |
| C25 | C20 | sing | 1.38Å | 1.40Å | Aromatic |
| C08 | C07 | sing | 1.51Å | 1.56Å | |
| C20 | S17 | sing | 1.76Å | 1.78Å | |
| F10 | C09 | sing | 1.35Å | 1.31Å | |
| C07 | C09 | doub | 1.38Å | 1.37Å | Aromatic |
| C07 | C06 | sing | 1.38Å | 1.40Å | Aromatic |
| O18 | S17 | doub | 1.42Å | 1.40Å | |
| S17 | O19 | doub | 1.42Å | 1.41Å | |
| S17 | N16 | sing | 1.66Å | 1.66Å | |
| C09 | C11 | sing | 1.40Å | 1.38Å | Aromatic |
| N15 | N16 | sing | 1.40Å | 1.45Å | |
| N15 | C13 | sing | 1.35Å | 1.41Å | |
| C06 | C05 | doub | 1.39Å | 1.36Å | Aromatic |
| C11 | C13 | sing | 1.48Å | 1.56Å | |
| C11 | C12 | doub | 1.40Å | 1.38Å | Aromatic |
| C13 | O14 | doub | 1.22Å | 1.21Å | |
| C05 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C05 | O04 | sing | 1.36Å | 1.36Å | |
| O04 | C03 | sing | 1.43Å | 1.44Å | |
| C03 | C02 | sing | 1.53Å | 1.55Å | |
| C02 | C01 | sing | 1.53Å | 1.57Å | |
| C21 | H1 | sing | 1.08Å | 1.08Å | |
| C22 | H2 | sing | 1.08Å | 1.08Å | |
| C24 | H3 | sing | 1.08Å | 1.08Å | |
| C01 | H4 | sing | 1.09Å | 1.10Å | |
| C01 | H5 | sing | 1.09Å | 1.10Å | |
| C01 | H6 | sing | 1.09Å | 1.10Å | |
| C02 | H7 | sing | 1.09Å | 1.10Å | |
| C02 | H8 | sing | 1.09Å | 1.10Å | |
| C03 | H9 | sing | 1.09Å | 1.10Å | |
| C03 | H10 | sing | 1.09Å | 1.10Å | |
| C06 | H11 | sing | 1.08Å | 1.08Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C08 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.08Å | 1.08Å | |
| C23 | H16 | sing | 1.08Å | 1.08Å | |
| C25 | H17 | sing | 1.08Å | 1.08Å | |
| N15 | H18 | sing | 0.97Å | 1.00Å | |
| N16 | H19 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C22 | C23 | C24 | 120.0° | 120.0° |
| C23 | C22 | C21 | 119.9° | 120.0° |
| C23 | C22 | H2 | 120.1° | 120.0° |
| C22 | C23 | H16 | 120.0° | 120.0° |
| C23 | C24 | C25 | 120.2° | 120.0° |
| C23 | C24 | H3 | 119.9° | 120.0° |
| C24 | C23 | H16 | 120.0° | 120.0° |
| C22 | C21 | C20 | 119.7° | 120.0° |
| C22 | C21 | H1 | 120.1° | 120.0° |
| C21 | C22 | H2 | 120.0° | 120.0° |
| C24 | C25 | C20 | 120.0° | 120.0° |
| C25 | C24 | H3 | 119.9° | 120.0° |
| C24 | C25 | H17 | 120.0° | 120.1° |
| C21 | C20 | C25 | 120.1° | 120.0° |
| C21 | C20 | S17 | 119.8° | 120.0° |
| C20 | C21 | H1 | 120.1° | 120.0° |
| C25 | C20 | S17 | 120.1° | 120.0° |
| C20 | C25 | H17 | 120.0° | 119.9° |
| C08 | C07 | C09 | 118.5° | 119.9° |
| C08 | C07 | C06 | 121.6° | 119.9° |
| C07 | C08 | H12 | 109.5° | 109.5° |
| C07 | C08 | H13 | 109.5° | 109.5° |
| C07 | C08 | H14 | 109.5° | 109.5° |
| C20 | S17 | O18 | 109.4° | 106.4° |
| C20 | S17 | O19 | 110.6° | 106.4° |
| C20 | S17 | N16 | 110.6° | 107.2° |
| F10 | C09 | C07 | 118.4° | 120.1° |
| F10 | C09 | C11 | 121.5° | 120.0° |
| C09 | C07 | C06 | 119.9° | 120.2° |
| C07 | C09 | C11 | 120.2° | 119.9° |
| C07 | C06 | C05 | 119.8° | 120.3° |
| C07 | C06 | H11 | 120.1° | 119.9° |
| O18 | S17 | O19 | 102.5° | 123.1° |
| O18 | S17 | N16 | 110.9° | 106.4° |
| O19 | S17 | N16 | 112.5° | 106.4° |
| S17 | N16 | N15 | 117.5° | 120.0° |
| S17 | N16 | H19 | 107.4° | 120.0° |
| C09 | C11 | C13 | 119.2° | 120.2° |
| C09 | C11 | C12 | 120.1° | 119.7° |
| N16 | N15 | C13 | 122.9° | 120.0° |
| N16 | N15 | H18 | 118.5° | 120.0° |
| N15 | N16 | H19 | 107.4° | 120.0° |
| N15 | C13 | C11 | 118.3° | 120.0° |
| N15 | C13 | O14 | 121.0° | 120.0° |
| C13 | N15 | H18 | 118.6° | 120.1° |
| C06 | C05 | C12 | 120.3° | 120.1° |
| C06 | C05 | O04 | 119.8° | 119.9° |
| C05 | C06 | H11 | 120.1° | 119.8° |
| C13 | C11 | C12 | 120.7° | 120.1° |
| C11 | C13 | O14 | 120.7° | 119.9° |
| C11 | C12 | C05 | 119.7° | 119.8° |
| C11 | C12 | H15 | 120.2° | 120.1° |
| C12 | C05 | O04 | 119.9° | 120.0° |
| C05 | C12 | H15 | 120.2° | 120.1° |
| C05 | O04 | C03 | 112.6° | 117.0° |
| O04 | C03 | C02 | 108.0° | 109.5° |
| O04 | C03 | H9 | 109.9° | 109.6° |
| O04 | C03 | H10 | 109.8° | 109.5° |
| C03 | C02 | C01 | 112.3° | 109.5° |
| C03 | C02 | H7 | 108.7° | 109.4° |
| C03 | C02 | H8 | 108.8° | 109.4° |
| C02 | C03 | H9 | 109.8° | 109.5° |
| C02 | C03 | H10 | 109.8° | 109.4° |
| C02 | C01 | H4 | 109.5° | 109.5° |
| C02 | C01 | H5 | 109.5° | 109.5° |
| C02 | C01 | H6 | 109.5° | 109.5° |
| C01 | C02 | H7 | 108.8° | 109.5° |
| C01 | C02 | H8 | 108.7° | 109.5° |
| H4 | C01 | H5 | 109.5° | 109.5° |
| H4 | C01 | H6 | 109.4° | 109.4° |
| H5 | C01 | H6 | 109.5° | 109.4° |
| H7 | C02 | H8 | 109.5° | 109.5° |
| H9 | C03 | H10 | 109.5° | 109.5° |
| H12 | C08 | H13 | 109.4° | 109.4° |
| H12 | C08 | H14 | 109.4° | 109.4° |
| H13 | C08 | H14 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C22 | C23 | C24 | H16 | 180.0° | 180.0° |
| C23 | C22 | C21 | H2 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.2° | 0.2° |
| C23 | C22 | C21 | C20 | 0.1° | 0.0° |
| C23 | C22 | C21 | H1 | 179.9° | 180.0° |
| C22 | C23 | C24 | H3 | 179.8° | 179.7° |
| C24 | C23 | C22 | C21 | 0.0° | 0.0° |
| C23 | C24 | C25 | H3 | 180.0° | 179.5° |
| C23 | C24 | C25 | C20 | 0.4° | 0.5° |
| C24 | C23 | C22 | H2 | 180.0° | 180.0° |
| C23 | C24 | C25 | H17 | 179.7° | 180.0° |
| C22 | C21 | C20 | H1 | 180.0° | 179.9° |
| C22 | C21 | C20 | C25 | 0.0° | 0.3° |
| C22 | C21 | C20 | S17 | 179.9° | 179.9° |
| C21 | C22 | C23 | H16 | 180.0° | 180.0° |
| C24 | C25 | C20 | C21 | 0.3° | 0.6° |
| C24 | C25 | C20 | H17 | 180.0° | 179.4° |
| C24 | C25 | C20 | S17 | 179.8° | 179.7° |
| C25 | C24 | C23 | H16 | 179.8° | 179.8° |
| C21 | C20 | C25 | S17 | 179.9° | 179.7° |
| C21 | C20 | S17 | O18 | 55.0° | 156.5° |
| C21 | C20 | S17 | O19 | 167.2° | 23.6° |
| C21 | C20 | S17 | N16 | 67.4° | 90.0° |
| C20 | C21 | C22 | H2 | 179.9° | 180.0° |
| C21 | C20 | C25 | H17 | 179.7° | 180.0° |
| C25 | C20 | S17 | O18 | 124.9° | 23.3° |
| C25 | C20 | S17 | O19 | 12.7° | 156.2° |
| C25 | C20 | S17 | N16 | 112.7° | 90.2° |
| C25 | C20 | C21 | H1 | 179.9° | 179.7° |
| C20 | C25 | C24 | H3 | 179.6° | 180.0° |
| C08 | C07 | C09 | F10 | 0.2° | 0.1° |
| C08 | C07 | C09 | C06 | 179.9° | 179.9° |
| C08 | C07 | C09 | C11 | 179.9° | 180.0° |
| C08 | C07 | C06 | C05 | 179.8° | 180.0° |
| C08 | C07 | C06 | H11 | 0.2° | 0.1° |
| C07 | C08 | H12 | H13 | 120.0° | 120.1° |
| C07 | C08 | H12 | H14 | 120.0° | 120.0° |
| C07 | C08 | H13 | H14 | 120.0° | 120.1° |
| C20 | S17 | O18 | O19 | 117.4° | 122.9° |
| C20 | S17 | O18 | N16 | 122.3° | 114.1° |
| C20 | S17 | O19 | N16 | 124.3° | 114.1° |
| C20 | S17 | N16 | N15 | 79.3° | 60.0° |
| S17 | C20 | C21 | H1 | 0.1° | 0.0° |
| S17 | C20 | C25 | H17 | 0.1° | 0.3° |
| C20 | S17 | N16 | H19 | 159.5° | 120.0° |
| F10 | C09 | C07 | C11 | 179.7° | 179.9° |
| F10 | C09 | C07 | C06 | 179.7° | 180.0° |
| F10 | C09 | C11 | C13 | 0.4° | 0.0° |
| F10 | C09 | C11 | C12 | 179.9° | 179.9° |
| C09 | C07 | C06 | C05 | 0.1° | 0.1° |
| C07 | C09 | C11 | C13 | 179.9° | 179.9° |
| C07 | C09 | C11 | C12 | 0.2° | 0.0° |
| C09 | C07 | C06 | H11 | 179.9° | 180.0° |
| C09 | C07 | C08 | H12 | 89.9° | 90.0° |
| C09 | C07 | C08 | H13 | 150.1° | 150.0° |
| C09 | C07 | C08 | H14 | 30.1° | 29.9° |
| C06 | C07 | C09 | C11 | 0.0° | 0.1° |
| C07 | C06 | C05 | H11 | 180.0° | 180.0° |
| C07 | C06 | C05 | C12 | 0.5° | 0.0° |
| C07 | C06 | C05 | O04 | 179.9° | 179.8° |
| C06 | C07 | C08 | H12 | 89.9° | 90.1° |
| C06 | C07 | C08 | H13 | 30.0° | 29.9° |
| C06 | C07 | C08 | H14 | 150.0° | 150.0° |
| O18 | S17 | O19 | N16 | 119.2° | 122.9° |
| O18 | S17 | N16 | N15 | 42.3° | 53.6° |
| O18 | S17 | N16 | H19 | 78.9° | 126.5° |
| O19 | S17 | N16 | N15 | 156.4° | 173.5° |
| O19 | S17 | N16 | H19 | 35.3° | 6.4° |
| S17 | N16 | N15 | H19 | 121.2° | 179.9° |
| S17 | N16 | N15 | C13 | 100.4° | 125.0° |
| S17 | N16 | N15 | H18 | 79.6° | 54.9° |
| C09 | C11 | C13 | N15 | 34.7° | 179.7° |
| C09 | C11 | C13 | C12 | 179.7° | 180.0° |
| C09 | C11 | C13 | O14 | 145.5° | 0.0° |
| C09 | C11 | C12 | C05 | 0.6° | 0.0° |
| C09 | C11 | C12 | H15 | 179.4° | 179.7° |
| N16 | N15 | C13 | H18 | 180.0° | 179.9° |
| N16 | N15 | C13 | C11 | 179.3° | 179.8° |
| N16 | N15 | C13 | O14 | 0.9° | 0.1° |
| N15 | C13 | C11 | O14 | 179.8° | 179.7° |
| N15 | C13 | C11 | C12 | 145.0° | 0.3° |
| C13 | N15 | N16 | H19 | 20.7° | 55.1° |
| C06 | C05 | C12 | C11 | 0.7° | 0.0° |
| C06 | C05 | C12 | O04 | 179.7° | 179.8° |
| C06 | C05 | O04 | C03 | 73.3° | 179.7° |
| C06 | C05 | C12 | H15 | 179.3° | 179.7° |
| C13 | C11 | C12 | C05 | 179.8° | 180.0° |
| C13 | C11 | C12 | H15 | 0.3° | 0.3° |
| C11 | C13 | N15 | H18 | 0.7° | 0.3° |
| C12 | C11 | C13 | O14 | 34.8° | 180.0° |
| C11 | C12 | C05 | H15 | 180.0° | 179.7° |
| C11 | C12 | C05 | O04 | 179.6° | 179.7° |
| O14 | C13 | N15 | H18 | 179.1° | 180.0° |
| C12 | C05 | O04 | C03 | 106.3° | 0.1° |
| C12 | C05 | C06 | H11 | 179.6° | 180.0° |
| C05 | O04 | C03 | C02 | 175.9° | 180.0° |
| C05 | O04 | C03 | H9 | 56.2° | 60.0° |
| C05 | O04 | C03 | H10 | 64.3° | 60.1° |
| O04 | C05 | C06 | H11 | 0.1° | 0.3° |
| O04 | C05 | C12 | H15 | 0.4° | 0.1° |
| O04 | C03 | C02 | H9 | 119.8° | 120.1° |
| O04 | C03 | C02 | H10 | 119.8° | 120.0° |
| O04 | C03 | C02 | C01 | 15.0° | 179.9° |
| O04 | C03 | C02 | H7 | 135.5° | 59.9° |
| O04 | C03 | C02 | H8 | 105.4° | 60.0° |
| O04 | C03 | H9 | H10 | 120.7° | 120.0° |
| C03 | C02 | C01 | H7 | 120.4° | 120.0° |
| C03 | C02 | C01 | H8 | 120.4° | 120.0° |
| C03 | C02 | C01 | H4 | 180.0° | 179.9° |
| C03 | C02 | C01 | H5 | 60.0° | 60.0° |
| C03 | C02 | C01 | H6 | 60.0° | 60.0° |
| C03 | C02 | H7 | H8 | 118.7° | 119.9° |
| C02 | C03 | H9 | H10 | 120.6° | 119.9° |
| C02 | C01 | H4 | H5 | 120.0° | 120.1° |
| C02 | C01 | H4 | H6 | 120.0° | 120.0° |
| C02 | C01 | H5 | H6 | 120.0° | 120.1° |
| C01 | C02 | H7 | H8 | 118.7° | 120.1° |
| C01 | C02 | C03 | H9 | 104.8° | 60.0° |
| C01 | C02 | C03 | H10 | 134.8° | 60.0° |
| H1 | C21 | C22 | H2 | 0.1° | 0.0° |
| H2 | C22 | C23 | H16 | 0.1° | 0.0° |
| H3 | C24 | C23 | H16 | 0.2° | 0.3° |
| H3 | C24 | C25 | H17 | 0.4° | 0.6° |
| H4 | C01 | H5 | H6 | 120.0° | 119.9° |
| H4 | C01 | C02 | H7 | 59.6° | 60.1° |
| H4 | C01 | C02 | H8 | 59.6° | 60.0° |
| H5 | C01 | C02 | H7 | 179.6° | 60.0° |
| H5 | C01 | C02 | H8 | 60.4° | 180.0° |
| H6 | C01 | C02 | H7 | 60.4° | 180.0° |
| H6 | C01 | C02 | H8 | 179.6° | 59.9° |
| H7 | C02 | C03 | H9 | 15.7° | 180.0° |
| H7 | C02 | C03 | H10 | 104.7° | 60.0° |
| H8 | C02 | C03 | H9 | 134.9° | 60.0° |
| H8 | C02 | C03 | H10 | 14.4° | 180.0° |
| H12 | C08 | H13 | H14 | 119.9° | 119.9° |
| H18 | N15 | N16 | H19 | 159.3° | 125.0° |
