NQ1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N08 | C09 | sing | 1.39Å | 1.48Å | |
| N08 | C06 | sing | 1.40Å | 1.48Å | |
| C14 | C09 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | C13 | sing | 1.38Å | 1.39Å | Aromatic |
| C09 | C10 | sing | 1.40Å | 1.37Å | Aromatic |
| C13 | C12 | doub | 1.39Å | 1.40Å | Aromatic |
| O16 | C15 | doub | 1.22Å | 1.18Å | |
| C10 | C15 | sing | 1.47Å | 1.55Å | |
| C10 | C11 | doub | 1.40Å | 1.42Å | Aromatic |
| C06 | C05 | doub | 1.39Å | 1.42Å | Aromatic |
| C06 | C07 | sing | 1.39Å | 1.37Å | Aromatic |
| C15 | N17 | sing | 1.32Å | 1.45Å | |
| C12 | C11 | sing | 1.38Å | 1.40Å | Aromatic |
| C05 | C04 | sing | 1.38Å | 1.39Å | Aromatic |
| N17 | C18 | sing | 1.46Å | 1.46Å | |
| N17 | C07 | sing | 1.39Å | 1.47Å | |
| C18 | C19 | sing | 1.51Å | 1.52Å | |
| C07 | C01 | doub | 1.39Å | 1.42Å | Aromatic |
| C04 | C02 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C19 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.38Å | Aromatic |
| C01 | C02 | sing | 1.38Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.38Å | 1.38Å | Aromatic |
| C02 | F03 | sing | 1.35Å | 1.36Å | |
| C23 | C22 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | doub | 1.38Å | 1.39Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| C11 | H1 | sing | 1.08Å | 1.08Å | |
| C12 | H2 | sing | 1.08Å | 1.08Å | |
| C13 | H3 | sing | 1.08Å | 1.08Å | |
| C14 | H4 | sing | 1.08Å | 1.08Å | |
| C01 | H5 | sing | 1.08Å | 1.08Å | |
| C04 | H6 | sing | 1.08Å | 1.08Å | |
| C05 | H7 | sing | 1.08Å | 1.08Å | |
| C18 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C20 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H11 | sing | 1.08Å | 1.08Å | |
| C22 | H12 | sing | 1.08Å | 1.08Å | |
| C23 | H13 | sing | 1.08Å | 1.08Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| N08 | H15 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C09 | N08 | C06 | 120.1° | 119.2° |
| N08 | C09 | C14 | 116.9° | 120.0° |
| N08 | C09 | C10 | 122.2° | 120.1° |
| C09 | N08 | H15 | 119.9° | 120.4° |
| N08 | C06 | C05 | 117.7° | 119.2° |
| N08 | C06 | C07 | 121.1° | 120.7° |
| C06 | N08 | H15 | 119.9° | 120.4° |
| C09 | C14 | C13 | 119.2° | 120.0° |
| C14 | C09 | C10 | 120.9° | 119.9° |
| C09 | C14 | H4 | 120.4° | 120.0° |
| C14 | C13 | C12 | 120.2° | 120.3° |
| C14 | C13 | H3 | 119.9° | 119.9° |
| C13 | C14 | H4 | 120.4° | 119.9° |
| C09 | C10 | C15 | 121.2° | 120.8° |
| C09 | C10 | C11 | 120.3° | 119.3° |
| C13 | C12 | C11 | 120.4° | 120.4° |
| C13 | C12 | H2 | 119.8° | 119.8° |
| C12 | C13 | H3 | 119.9° | 119.8° |
| O16 | C15 | C10 | 117.5° | 117.1° |
| O16 | C15 | N17 | 119.4° | 117.1° |
| C15 | C10 | C11 | 118.4° | 119.9° |
| C10 | C15 | N17 | 123.1° | 125.8° |
| C10 | C11 | C12 | 119.0° | 120.0° |
| C10 | C11 | H1 | 120.5° | 119.9° |
| C05 | C06 | C07 | 121.1° | 120.1° |
| C06 | C05 | C04 | 118.4° | 120.2° |
| C06 | C05 | H7 | 120.8° | 119.9° |
| C06 | C07 | N17 | 121.5° | 121.7° |
| C06 | C07 | C01 | 120.3° | 119.3° |
| C15 | N17 | C18 | 116.4° | 116.4° |
| C15 | N17 | C07 | 129.2° | 127.1° |
| C12 | C11 | H1 | 120.5° | 120.1° |
| C11 | C12 | H2 | 119.8° | 119.8° |
| C05 | C04 | C02 | 120.7° | 119.9° |
| C05 | C04 | H6 | 119.7° | 120.1° |
| C04 | C05 | H7 | 120.8° | 119.9° |
| C18 | N17 | C07 | 114.3° | 116.5° |
| N17 | C18 | C19 | 120.1° | 109.5° |
| N17 | C18 | H8 | 106.8° | 109.5° |
| N17 | C18 | H9 | 106.8° | 109.5° |
| N17 | C07 | C01 | 118.2° | 118.9° |
| C18 | C19 | C24 | 116.7° | 120.0° |
| C18 | C19 | C20 | 122.9° | 120.0° |
| C19 | C18 | H8 | 106.7° | 109.4° |
| C19 | C18 | H9 | 106.7° | 109.5° |
| C07 | C01 | C02 | 119.1° | 120.3° |
| C07 | C01 | H5 | 120.4° | 119.9° |
| C04 | C02 | C01 | 120.3° | 120.1° |
| C04 | C02 | F03 | 120.2° | 119.9° |
| C02 | C04 | H6 | 119.6° | 120.0° |
| C19 | C24 | C23 | 120.4° | 120.0° |
| C24 | C19 | C20 | 120.4° | 120.0° |
| C19 | C24 | H14 | 119.8° | 120.1° |
| C24 | C23 | C22 | 119.4° | 119.9° |
| C24 | C23 | H13 | 120.3° | 120.0° |
| C23 | C24 | H14 | 119.8° | 119.9° |
| C01 | C02 | F03 | 119.6° | 119.9° |
| C02 | C01 | H5 | 120.5° | 119.9° |
| C19 | C20 | C21 | 119.1° | 120.0° |
| C19 | C20 | H10 | 120.5° | 120.0° |
| C23 | C22 | C21 | 120.1° | 120.0° |
| C23 | C22 | H12 | 119.9° | 120.0° |
| C22 | C23 | H13 | 120.3° | 120.0° |
| C20 | C21 | C22 | 120.5° | 120.1° |
| C21 | C20 | H10 | 120.4° | 120.0° |
| C20 | C21 | H11 | 119.7° | 120.0° |
| C22 | C21 | H11 | 119.7° | 119.9° |
| C21 | C22 | H12 | 119.9° | 120.1° |
| H8 | C18 | H9 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C09 | N08 | C06 | H15 | 180.0° | 179.9° |
| N08 | C09 | C14 | C10 | 177.1° | 178.1° |
| N08 | C09 | C14 | C13 | 178.4° | 176.3° |
| N08 | C09 | C10 | C15 | 4.6° | 4.8° |
| N08 | C09 | C10 | C11 | 179.5° | 175.6° |
| C09 | N08 | C06 | C05 | 116.5° | 117.7° |
| C09 | N08 | C06 | C07 | 61.0° | 60.6° |
| N08 | C09 | C14 | H4 | 1.6° | 3.8° |
| C06 | N08 | C09 | C14 | 117.3° | 118.2° |
| C06 | N08 | C09 | C10 | 59.8° | 59.8° |
| N08 | C06 | C05 | C07 | 177.5° | 178.3° |
| N08 | C06 | C05 | C04 | 179.0° | 177.1° |
| N08 | C06 | C07 | N17 | 2.1° | 5.5° |
| N08 | C06 | C07 | C01 | 179.2° | 176.4° |
| N08 | C06 | C05 | H7 | 1.0° | 2.9° |
| C09 | C14 | C13 | H4 | 180.0° | 179.9° |
| C09 | C14 | C13 | C12 | 0.3° | 0.0° |
| C14 | C09 | C10 | C15 | 178.5° | 177.2° |
| C14 | C09 | C10 | C11 | 2.6° | 2.5° |
| C09 | C14 | C13 | H3 | 179.7° | 180.0° |
| C14 | C09 | N08 | H15 | 62.7° | 61.8° |
| C13 | C14 | C09 | C10 | 1.3° | 1.7° |
| C14 | C13 | C12 | H3 | 180.0° | 180.0° |
| C14 | C13 | C12 | C11 | 0.6° | 1.0° |
| C14 | C13 | C12 | H2 | 179.4° | 179.0° |
| C09 | C10 | C15 | O16 | 140.6° | 140.8° |
| C09 | C10 | C15 | C11 | 176.0° | 179.7° |
| C09 | C10 | C15 | N17 | 37.0° | 39.1° |
| C09 | C10 | C11 | C12 | 2.2° | 1.6° |
| C09 | C10 | C11 | H1 | 177.8° | 178.5° |
| C10 | C09 | C14 | H4 | 178.7° | 178.2° |
| C10 | C09 | N08 | H15 | 120.2° | 120.1° |
| C13 | C12 | C11 | C10 | 0.6° | 0.1° |
| C13 | C12 | C11 | H2 | 180.0° | 180.0° |
| C13 | C12 | C11 | H1 | 179.4° | 179.8° |
| C12 | C13 | C14 | H4 | 179.7° | 179.9° |
| O16 | C15 | C10 | N17 | 177.6° | 179.9° |
| O16 | C15 | C10 | C11 | 35.4° | 38.9° |
| O16 | C15 | N17 | C18 | 0.9° | 1.0° |
| O16 | C15 | N17 | C07 | 178.1° | 179.1° |
| C15 | C10 | C11 | C12 | 178.2° | 178.1° |
| C10 | C15 | N17 | C18 | 176.7° | 178.9° |
| C10 | C15 | N17 | C07 | 0.6° | 1.0° |
| C15 | C10 | C11 | H1 | 1.8° | 1.8° |
| C11 | C10 | C15 | N17 | 147.0° | 141.2° |
| C10 | C11 | C12 | H1 | 180.0° | 179.9° |
| C10 | C11 | C12 | H2 | 179.4° | 179.8° |
| C06 | C05 | C04 | H7 | 180.0° | 180.0° |
| C05 | C06 | C07 | N17 | 179.5° | 176.2° |
| C05 | C06 | C07 | C01 | 1.8° | 1.9° |
| C06 | C05 | C04 | C02 | 0.7° | 0.0° |
| C06 | C05 | C04 | H6 | 179.3° | 179.9° |
| C05 | C06 | N08 | H15 | 63.5° | 62.4° |
| C06 | C07 | N17 | C15 | 36.6° | 40.6° |
| C07 | C06 | C05 | C04 | 1.5° | 1.3° |
| C06 | C07 | N17 | C18 | 140.6° | 139.4° |
| C06 | C07 | N17 | C01 | 178.7° | 178.1° |
| C06 | C07 | C01 | C02 | 1.2° | 1.2° |
| C06 | C07 | C01 | H5 | 178.8° | 178.7° |
| C07 | C06 | C05 | H7 | 178.5° | 178.8° |
| C07 | C06 | N08 | H15 | 119.0° | 119.3° |
| C15 | N17 | C18 | C07 | 177.7° | 180.0° |
| C15 | N17 | C18 | C19 | 83.8° | 91.3° |
| C15 | N17 | C07 | C01 | 144.6° | 141.3° |
| C15 | N17 | C18 | H8 | 154.7° | 148.7° |
| C15 | N17 | C18 | H9 | 37.7° | 28.7° |
| C11 | C12 | C13 | H3 | 179.4° | 179.1° |
| C05 | C04 | C02 | H6 | 180.0° | 179.9° |
| C05 | C04 | C02 | C01 | 0.1° | 0.6° |
| C05 | C04 | C02 | F03 | 179.9° | 179.3° |
| N17 | C18 | C19 | H8 | 121.5° | 120.0° |
| N17 | C18 | C19 | H9 | 121.5° | 120.0° |
| C18 | N17 | C07 | C01 | 38.1° | 38.7° |
| N17 | C18 | C19 | C24 | 177.2° | 85.0° |
| N17 | C18 | C19 | C20 | 3.1° | 95.3° |
| N17 | C18 | H8 | H9 | 115.2° | 120.0° |
| C07 | N17 | C18 | C19 | 98.5° | 88.7° |
| N17 | C07 | C01 | C02 | 179.9° | 176.9° |
| N17 | C07 | C01 | H5 | 0.1° | 3.2° |
| C07 | N17 | C18 | H8 | 23.0° | 31.3° |
| C07 | N17 | C18 | H9 | 140.0° | 151.3° |
| C18 | C19 | C24 | C20 | 179.6° | 179.7° |
| C18 | C19 | C24 | C23 | 179.7° | 179.7° |
| C18 | C19 | C20 | C21 | 179.8° | 180.0° |
| C19 | C18 | H8 | H9 | 115.2° | 120.0° |
| C18 | C19 | C20 | H10 | 0.2° | 0.0° |
| C18 | C19 | C24 | H14 | 0.3° | 0.0° |
| C07 | C01 | C02 | C04 | 0.3° | 0.0° |
| C07 | C01 | C02 | H5 | 180.0° | 180.0° |
| C07 | C01 | C02 | F03 | 179.7° | 180.0° |
| C04 | C02 | C01 | F03 | 180.0° | 179.9° |
| C04 | C02 | C01 | H5 | 179.7° | 180.0° |
| C02 | C04 | C05 | H7 | 179.3° | 180.0° |
| C19 | C24 | C23 | H14 | 180.0° | 179.7° |
| C19 | C24 | C23 | C22 | 0.2° | 0.6° |
| C24 | C19 | C20 | C21 | 0.2° | 0.3° |
| C24 | C19 | C18 | H8 | 61.3° | 35.0° |
| C24 | C19 | C18 | H9 | 55.7° | 155.0° |
| C24 | C19 | C20 | H10 | 179.8° | 179.7° |
| C19 | C24 | C23 | H13 | 179.8° | 179.7° |
| C23 | C24 | C19 | C20 | 0.1° | 0.6° |
| C24 | C23 | C22 | H13 | 180.0° | 179.7° |
| C24 | C23 | C22 | C21 | 0.4° | 0.3° |
| C24 | C23 | C22 | H12 | 179.6° | 179.8° |
| C01 | C02 | C04 | H6 | 179.9° | 179.3° |
| C19 | C20 | C21 | H10 | 180.0° | 180.0° |
| C19 | C20 | C21 | C22 | 0.1° | 0.0° |
| C20 | C19 | C18 | H8 | 118.4° | 144.7° |
| C20 | C19 | C18 | H9 | 124.6° | 24.7° |
| C19 | C20 | C21 | H11 | 180.0° | 180.0° |
| C20 | C19 | C24 | H14 | 179.9° | 179.7° |
| F03 | C02 | C01 | H5 | 0.3° | 0.0° |
| F03 | C02 | C04 | H6 | 0.1° | 0.7° |
| C23 | C22 | C21 | C20 | 0.2° | 0.0° |
| C23 | C22 | C21 | H12 | 180.0° | 179.9° |
| C23 | C22 | C21 | H11 | 179.7° | 180.0° |
| C22 | C23 | C24 | H14 | 179.8° | 179.7° |
| C20 | C21 | C22 | H11 | 180.0° | 180.0° |
| C20 | C21 | C22 | H12 | 179.8° | 179.9° |
| C22 | C21 | C20 | H10 | 179.9° | 180.0° |
| C21 | C22 | C23 | H13 | 179.6° | 180.0° |
| H1 | C11 | C12 | H2 | 0.6° | 0.3° |
| H2 | C12 | C13 | H3 | 0.6° | 1.0° |
| H3 | C13 | C14 | H4 | 0.3° | 0.1° |
| H6 | C04 | C05 | H7 | 0.7° | 0.1° |
| H10 | C20 | C21 | H11 | 0.0° | 0.0° |
| H11 | C21 | C22 | H12 | 0.3° | 0.0° |
| H12 | C22 | C23 | H13 | 0.4° | 0.0° |
| H13 | C23 | C24 | H14 | 0.2° | 0.1° |
