Q0C
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| CL13 | C12 | sing | 1.74Å | 1.78Å | |
| C14 | C15 | doub | 1.38Å | 1.38Å | Aromatic |
| C14 | C12 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.51Å | 1.53Å | |
| C20 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.38Å | Aromatic |
| C21 | N22 | sing | 1.32Å | 1.32Å | Aromatic |
| C15 | C09 | sing | 1.38Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.38Å | 1.39Å | Aromatic |
| N04 | C03 | sing | 1.39Å | 1.45Å | |
| N04 | C05 | sing | 1.35Å | 1.45Å | |
| C02 | C03 | doub | 1.36Å | 1.37Å | Aromatic |
| C02 | C18 | sing | 1.41Å | 1.40Å | Aromatic |
| C07 | C05 | sing | 1.51Å | 1.52Å | |
| C07 | C08 | sing | 1.53Å | 1.52Å | |
| C03 | N16 | sing | 1.36Å | 1.31Å | Aromatic |
| C18 | C19 | sing | 1.48Å | 1.53Å | |
| C18 | N17 | doub | 1.32Å | 1.34Å | Aromatic |
| C19 | C24 | doub | 1.40Å | 1.38Å | Aromatic |
| C05 | O06 | doub | 1.21Å | 1.19Å | |
| N22 | C23 | doub | 1.32Å | 1.32Å | Aromatic |
| C09 | C08 | sing | 1.51Å | 1.52Å | |
| C09 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| N16 | N17 | sing | 1.40Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | H1 | sing | 1.08Å | 1.08Å | |
| C11 | H2 | sing | 1.08Å | 1.08Å | |
| C20 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C23 | H5 | sing | 1.08Å | 1.08Å | |
| C24 | H6 | sing | 1.08Å | 1.08Å | |
| C01 | H7 | sing | 1.09Å | 1.10Å | |
| C01 | H8 | sing | 1.09Å | 1.10Å | |
| C01 | H9 | sing | 1.09Å | 1.10Å | |
| C07 | H10 | sing | 1.09Å | 1.10Å | |
| C07 | H11 | sing | 1.09Å | 1.10Å | |
| C08 | H12 | sing | 1.09Å | 1.10Å | |
| C08 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| N04 | 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) |
| CL13 | C12 | C14 | 117.4° | 120.0° |
| CL13 | C12 | C11 | 121.1° | 120.0° |
| C15 | C14 | C12 | 119.0° | 120.0° |
| C14 | C15 | C09 | 119.7° | 120.0° |
| C15 | C14 | H14 | 120.5° | 120.0° |
| C14 | C15 | H15 | 120.1° | 120.0° |
| C14 | C12 | C11 | 121.5° | 119.9° |
| C12 | C14 | H14 | 120.5° | 119.9° |
| C01 | C02 | C03 | 124.1° | 126.1° |
| C01 | C02 | C18 | 129.3° | 126.1° |
| C02 | C01 | H7 | 109.5° | 109.5° |
| C02 | C01 | H8 | 109.5° | 109.5° |
| C02 | C01 | H9 | 109.5° | 109.5° |
| C21 | C20 | C19 | 119.7° | 119.0° |
| C20 | C21 | N22 | 120.7° | 120.9° |
| C21 | C20 | H3 | 120.2° | 120.5° |
| C20 | C21 | H4 | 119.7° | 119.6° |
| C20 | C19 | C18 | 123.3° | 120.9° |
| C20 | C19 | C24 | 117.2° | 118.2° |
| C19 | C20 | H3 | 120.1° | 120.5° |
| C21 | N22 | C23 | 122.0° | 122.0° |
| N22 | C21 | H4 | 119.6° | 119.5° |
| C15 | C09 | C08 | 117.7° | 120.0° |
| C15 | C09 | C10 | 121.5° | 120.1° |
| C09 | C15 | H15 | 120.2° | 120.0° |
| C12 | C11 | C10 | 119.5° | 120.0° |
| C12 | C11 | H2 | 120.2° | 120.0° |
| C03 | N04 | C05 | 120.1° | 120.0° |
| N04 | C03 | C02 | 125.8° | 126.1° |
| N04 | C03 | N16 | 125.9° | 126.1° |
| C03 | N04 | H16 | 120.0° | 120.0° |
| N04 | C05 | C07 | 117.9° | 120.0° |
| N04 | C05 | O06 | 122.4° | 120.0° |
| C05 | N04 | H16 | 119.9° | 120.0° |
| C03 | C02 | C18 | 106.5° | 107.8° |
| C02 | C03 | N16 | 108.3° | 107.7° |
| C02 | C18 | C19 | 129.2° | 125.9° |
| C02 | C18 | N17 | 107.5° | 108.2° |
| C05 | C07 | C08 | 111.2° | 109.5° |
| C07 | C05 | O06 | 119.7° | 120.0° |
| C05 | C07 | H10 | 109.0° | 109.5° |
| C05 | C07 | H11 | 109.0° | 109.5° |
| C07 | C08 | C09 | 105.4° | 109.4° |
| C08 | C07 | H10 | 109.0° | 109.5° |
| C08 | C07 | H11 | 109.0° | 109.5° |
| C07 | C08 | H12 | 110.5° | 109.4° |
| C07 | C08 | H13 | 110.5° | 109.5° |
| C03 | N16 | N17 | 110.0° | 108.0° |
| C03 | N16 | H17 | 125.0° | 126.0° |
| C19 | C18 | N17 | 123.3° | 125.9° |
| C18 | C19 | C24 | 119.4° | 120.9° |
| C18 | N17 | N16 | 107.6° | 108.3° |
| C19 | C24 | C23 | 120.6° | 119.0° |
| C19 | C24 | H6 | 119.7° | 120.5° |
| N22 | C23 | C24 | 119.9° | 120.9° |
| N22 | C23 | H5 | 120.1° | 119.5° |
| C08 | C09 | C10 | 120.8° | 119.9° |
| C09 | C08 | H12 | 110.5° | 109.5° |
| C09 | C08 | H13 | 110.5° | 109.5° |
| C09 | C10 | C11 | 118.7° | 120.0° |
| C09 | C10 | H1 | 120.7° | 120.0° |
| N17 | N16 | H17 | 125.0° | 125.9° |
| C11 | C10 | H1 | 120.6° | 120.0° |
| C10 | C11 | H2 | 120.3° | 120.0° |
| C24 | C23 | H5 | 120.1° | 119.6° |
| C23 | C24 | H6 | 119.7° | 120.5° |
| H7 | C01 | H8 | 109.5° | 109.4° |
| H7 | C01 | H9 | 109.4° | 109.4° |
| H8 | C01 | H9 | 109.5° | 109.5° |
| H10 | C07 | H11 | 109.4° | 109.5° |
| H12 | C08 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| CL13 | C12 | C14 | C15 | 179.3° | 179.8° |
| CL13 | C12 | C14 | C11 | 179.5° | 180.0° |
| CL13 | C12 | C11 | C10 | 179.9° | 180.0° |
| CL13 | C12 | C11 | H2 | 0.1° | 0.0° |
| CL13 | C12 | C14 | H14 | 0.7° | 0.0° |
| C15 | C14 | C12 | H14 | 180.0° | 179.8° |
| C14 | C15 | C09 | H15 | 180.0° | 179.8° |
| C15 | C14 | C12 | C11 | 0.2° | 0.3° |
| C14 | C15 | C09 | C08 | 179.5° | 179.9° |
| C14 | C15 | C09 | C10 | 1.3° | 0.0° |
| C12 | C14 | C15 | C09 | 1.1° | 0.2° |
| C14 | C12 | C11 | C10 | 0.5° | 0.1° |
| C14 | C12 | C11 | H2 | 179.5° | 180.0° |
| C12 | C14 | C15 | H15 | 178.9° | 180.0° |
| C01 | C02 | C03 | N04 | 1.0° | 0.0° |
| C01 | C02 | C03 | C18 | 179.6° | 180.0° |
| C01 | C02 | C03 | N16 | 180.0° | 180.0° |
| C01 | C02 | C18 | C19 | 0.2° | 0.1° |
| C01 | C02 | C18 | N17 | 179.9° | 179.8° |
| C02 | C01 | H7 | H8 | 120.0° | 120.0° |
| C02 | C01 | H7 | H9 | 120.0° | 120.0° |
| C02 | C01 | H8 | H9 | 120.0° | 120.1° |
| C21 | C20 | C19 | H3 | 180.0° | 179.9° |
| C20 | C21 | N22 | H4 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 179.5° | 179.9° |
| C21 | C20 | C19 | C24 | 0.8° | 0.3° |
| C20 | C21 | N22 | C23 | 0.3° | 0.3° |
| C19 | C20 | C21 | N22 | 0.2° | 0.1° |
| C20 | C19 | C18 | C02 | 29.8° | 41.5° |
| C20 | C19 | C18 | C24 | 178.7° | 179.7° |
| C20 | C19 | C18 | N17 | 150.1° | 138.9° |
| C20 | C19 | C24 | C23 | 0.9° | 0.3° |
| C19 | C20 | C21 | H4 | 179.8° | 180.0° |
| C20 | C19 | C24 | H6 | 179.1° | 179.7° |
| C21 | N22 | C23 | C24 | 0.2° | 0.3° |
| N22 | C21 | C20 | H3 | 179.8° | 180.0° |
| C21 | N22 | C23 | H5 | 179.7° | 179.6° |
| C15 | C09 | C08 | C07 | 86.1° | 90.0° |
| C15 | C09 | C08 | C10 | 178.2° | 180.0° |
| C15 | C09 | C10 | C11 | 0.6° | 0.2° |
| C15 | C09 | C10 | H1 | 179.3° | 179.9° |
| C15 | C09 | C08 | H12 | 154.6° | 150.1° |
| C15 | C09 | C08 | H13 | 33.2° | 30.0° |
| C09 | C15 | C14 | H14 | 178.9° | 180.0° |
| C12 | C11 | C10 | C09 | 0.3° | 0.2° |
| C12 | C11 | C10 | H2 | 180.0° | 180.0° |
| C12 | C11 | C10 | H1 | 179.8° | 180.0° |
| C11 | C12 | C14 | H14 | 179.8° | 180.0° |
| C03 | N04 | C05 | H16 | 180.0° | 179.9° |
| N04 | C03 | C02 | N16 | 179.0° | 180.0° |
| N04 | C03 | C02 | C18 | 179.4° | 180.0° |
| C03 | N04 | C05 | C07 | 179.3° | 180.0° |
| C03 | N04 | C05 | O06 | 1.5° | 0.1° |
| N04 | C03 | N16 | N17 | 179.3° | 179.8° |
| N04 | C03 | N16 | H17 | 0.7° | 0.1° |
| C05 | N04 | C03 | C02 | 154.7° | 180.0° |
| N04 | C05 | C07 | O06 | 179.2° | 179.9° |
| N04 | C05 | C07 | C08 | 171.2° | 180.0° |
| C05 | N04 | C03 | N16 | 26.4° | 0.0° |
| N04 | C05 | C07 | H10 | 68.6° | 60.0° |
| N04 | C05 | C07 | H11 | 50.9° | 60.0° |
| C03 | C02 | C18 | C19 | 179.8° | 179.9° |
| C03 | C02 | C18 | N17 | 0.3° | 0.2° |
| C02 | C03 | N16 | N17 | 0.2° | 0.2° |
| C03 | C02 | C01 | H7 | 90.2° | 95.1° |
| C03 | C02 | C01 | H8 | 149.8° | 145.0° |
| C03 | C02 | C01 | H9 | 29.8° | 24.9° |
| C02 | C03 | N04 | H16 | 25.3° | 0.0° |
| C02 | C03 | N16 | H17 | 179.8° | 179.9° |
| C18 | C02 | C03 | N16 | 0.3° | 0.0° |
| C02 | C18 | C19 | N17 | 179.9° | 179.6° |
| C02 | C18 | C19 | C24 | 151.5° | 138.8° |
| C02 | C18 | N17 | N16 | 0.2° | 0.4° |
| C18 | C02 | C01 | H7 | 90.3° | 84.9° |
| C18 | C02 | C01 | H8 | 29.8° | 35.0° |
| C18 | C02 | C01 | H9 | 149.8° | 155.1° |
| C05 | C07 | C08 | H10 | 120.3° | 120.0° |
| C05 | C07 | C08 | H11 | 120.3° | 120.0° |
| C05 | C07 | C08 | C09 | 173.5° | 180.0° |
| C05 | C07 | H10 | H11 | 119.2° | 120.0° |
| C05 | C07 | C08 | H12 | 54.1° | 60.0° |
| C05 | C07 | C08 | H13 | 67.2° | 60.0° |
| C07 | C05 | N04 | H16 | 0.7° | 0.0° |
| C08 | C07 | C05 | O06 | 8.1° | 0.0° |
| C07 | C08 | C09 | H12 | 119.3° | 119.9° |
| C07 | C08 | C09 | H13 | 119.3° | 120.0° |
| C07 | C08 | C09 | C10 | 92.1° | 90.0° |
| C08 | C07 | H10 | H11 | 119.2° | 120.0° |
| C07 | C08 | H12 | H13 | 121.9° | 120.0° |
| C03 | N16 | N17 | C18 | 0.1° | 0.4° |
| C03 | N16 | N17 | H17 | 180.0° | 179.9° |
| N16 | C03 | N04 | H16 | 153.6° | 180.0° |
| C19 | C18 | N17 | N16 | 179.9° | 179.9° |
| C18 | C19 | C24 | C23 | 179.7° | 180.0° |
| C18 | C19 | C20 | H3 | 0.5° | 0.0° |
| C18 | C19 | C24 | H6 | 0.3° | 0.1° |
| N17 | C18 | C19 | C24 | 28.5° | 40.8° |
| C18 | N17 | N16 | H17 | 180.0° | 179.8° |
| C19 | C24 | C23 | N22 | 0.4° | 0.1° |
| C19 | C24 | C23 | H6 | 180.0° | 179.9° |
| C24 | C19 | C20 | H3 | 179.2° | 179.7° |
| C19 | C24 | C23 | H5 | 179.6° | 180.0° |
| O06 | C05 | C07 | H10 | 112.2° | 119.9° |
| O06 | C05 | C07 | H11 | 128.4° | 120.1° |
| O06 | C05 | N04 | H16 | 178.5° | 180.0° |
| N22 | C23 | C24 | H5 | 180.0° | 179.9° |
| C23 | N22 | C21 | H4 | 179.6° | 179.7° |
| N22 | C23 | C24 | H6 | 179.6° | 180.0° |
| C08 | C09 | C10 | C11 | 178.7° | 179.7° |
| C08 | C09 | C10 | H1 | 1.2° | 0.1° |
| C09 | C08 | C07 | H10 | 66.3° | 60.0° |
| C09 | C08 | C07 | H11 | 53.2° | 60.0° |
| C09 | C08 | H12 | H13 | 121.9° | 120.0° |
| C08 | C09 | C15 | H15 | 0.5° | 0.2° |
| C09 | C10 | C11 | H1 | 180.0° | 179.8° |
| C09 | C10 | C11 | H2 | 179.7° | 179.8° |
| C10 | C09 | C08 | H12 | 27.3° | 29.9° |
| C10 | C09 | C08 | H13 | 148.6° | 150.0° |
| C10 | C09 | C15 | H15 | 178.7° | 179.8° |
| H1 | C10 | C11 | H2 | 0.2° | 0.1° |
| H3 | C20 | C21 | H4 | 0.2° | 0.1° |
| H5 | C23 | C24 | H6 | 0.4° | 0.1° |
| H7 | C01 | H8 | H9 | 120.0° | 119.9° |
| H10 | C07 | C08 | H12 | 174.4° | 180.0° |
| H10 | C07 | C08 | H13 | 53.1° | 60.0° |
| H11 | C07 | C08 | H12 | 66.2° | 60.0° |
| H11 | C07 | C08 | H13 | 172.5° | 180.0° |
| H14 | C14 | C15 | H15 | 1.1° | 0.2° |
