Q7N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | O1 | sing | 1.43Å | 1.43Å | |
| O1 | C11 | sing | 1.36Å | 1.33Å | |
| C12 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C12 | C13 | sing | 1.38Å | 1.37Å | Aromatic |
| C11 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C13 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| SE | C4 | sing | 1.96Å | 1.67Å | |
| C9 | C8 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| O | C6 | doub | 1.22Å | 1.23Å | |
| C7 | N | sing | 1.46Å | 1.45Å | |
| C4 | C5 | doub | 1.40Å | 1.48Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.39Å | Aromatic |
| C6 | N | sing | 1.35Å | 1.34Å | |
| C6 | C5 | sing | 1.48Å | 1.45Å | |
| C5 | C | sing | 1.40Å | 1.41Å | Aromatic |
| C3 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C | C1 | doub | 1.38Å | 1.37Å | Aromatic |
| C2 | C1 | sing | 1.38Å | 1.42Å | Aromatic |
| C | H1 | sing | 1.08Å | 1.08Å | |
| C1 | H2 | sing | 1.08Å | 1.08Å | |
| SE | H3 | sing | 1.56Å | 1.46Å | |
| C3 | H4 | sing | 1.08Å | 1.08Å | |
| C2 | H5 | sing | 1.08Å | 1.08Å | |
| N | H6 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C7 | H8 | sing | 1.09Å | 1.10Å | |
| C10 | H9 | sing | 1.08Å | 1.08Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| C9 | H15 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | O1 | C11 | 118.3° | 116.9° |
| O1 | C14 | H10 | 109.5° | 109.5° |
| O1 | C14 | H11 | 109.5° | 109.5° |
| O1 | C14 | H12 | 109.5° | 109.4° |
| O1 | C11 | C12 | 118.5° | 120.1° |
| O1 | C11 | C10 | 121.7° | 120.0° |
| C11 | C12 | C13 | 121.1° | 119.9° |
| C12 | C11 | C10 | 119.8° | 119.9° |
| C11 | C12 | H13 | 119.4° | 120.0° |
| C12 | C13 | C9 | 119.0° | 120.1° |
| C13 | C12 | H13 | 119.5° | 120.1° |
| C12 | C13 | H14 | 120.5° | 119.9° |
| C11 | C10 | C8 | 118.9° | 119.9° |
| C11 | C10 | H9 | 120.6° | 120.0° |
| C13 | C9 | C8 | 120.3° | 120.1° |
| C9 | C13 | H14 | 120.5° | 120.0° |
| C13 | C9 | H15 | 119.8° | 119.9° |
| C10 | C8 | C9 | 120.7° | 120.1° |
| C10 | C8 | C7 | 121.5° | 120.0° |
| C8 | C10 | H9 | 120.5° | 120.0° |
| SE | C4 | C5 | 121.2° | 120.1° |
| SE | C4 | C3 | 128.3° | 120.1° |
| C4 | SE | H3 | 109.5° | 101.0° |
| C9 | C8 | C7 | 117.8° | 120.0° |
| C8 | C9 | H15 | 119.8° | 120.0° |
| C8 | C7 | N | 113.8° | 109.4° |
| C8 | C7 | H7 | 108.4° | 109.5° |
| C8 | C7 | H8 | 108.4° | 109.5° |
| O | C6 | N | 125.5° | 120.0° |
| O | C6 | C5 | 116.7° | 120.0° |
| C7 | N | C6 | 122.6° | 120.0° |
| C7 | N | H6 | 118.7° | 120.0° |
| N | C7 | H7 | 108.4° | 109.5° |
| N | C7 | H8 | 108.4° | 109.5° |
| C5 | C4 | C3 | 110.5° | 119.9° |
| C4 | C5 | C6 | 117.8° | 120.1° |
| C4 | C5 | C | 124.5° | 119.7° |
| C4 | C3 | C2 | 126.4° | 120.2° |
| C4 | C3 | H4 | 116.8° | 119.9° |
| N | C6 | C5 | 117.8° | 120.0° |
| C6 | N | H6 | 118.7° | 120.0° |
| C6 | C5 | C | 117.6° | 120.2° |
| C5 | C | C1 | 119.9° | 119.9° |
| C5 | C | H1 | 120.0° | 120.0° |
| C3 | C2 | C1 | 119.9° | 120.3° |
| C2 | C3 | H4 | 116.7° | 119.9° |
| C3 | C2 | H5 | 120.0° | 119.9° |
| C | C1 | C2 | 118.5° | 120.1° |
| C1 | C | H1 | 120.1° | 120.1° |
| C | C1 | H2 | 120.7° | 119.9° |
| C2 | C1 | H2 | 120.7° | 119.9° |
| C1 | C2 | H5 | 120.0° | 119.8° |
| H7 | C7 | H8 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H12 | 109.5° | 109.4° |
| H11 | C14 | H12 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | O1 | C11 | C12 | 14.0° | 0.0° |
| C14 | O1 | C11 | C10 | 169.1° | 180.0° |
| O1 | C14 | H10 | H11 | 120.0° | 120.1° |
| O1 | C14 | H10 | H12 | 120.0° | 119.9° |
| O1 | C14 | H11 | H12 | 120.0° | 120.0° |
| O1 | C11 | C12 | C10 | 177.0° | 179.9° |
| O1 | C11 | C12 | C13 | 179.3° | 180.0° |
| O1 | C11 | C10 | C8 | 179.5° | 180.0° |
| O1 | C11 | C10 | H9 | 0.5° | 0.1° |
| C11 | O1 | C14 | H10 | 180.0° | 60.1° |
| C11 | O1 | C14 | H11 | 60.0° | 60.0° |
| C11 | O1 | C14 | H12 | 60.0° | 180.0° |
| O1 | C11 | C12 | H13 | 0.7° | 0.1° |
| C11 | C12 | C13 | H13 | 180.0° | 180.0° |
| C11 | C12 | C13 | C9 | 4.0° | 0.2° |
| C12 | C11 | C10 | C8 | 3.6° | 0.1° |
| C12 | C11 | C10 | H9 | 176.4° | 180.0° |
| C11 | C12 | C13 | H14 | 176.0° | 180.0° |
| C13 | C12 | C11 | C10 | 3.7° | 0.0° |
| C12 | C13 | C9 | H14 | 180.0° | 179.8° |
| C12 | C13 | C9 | C8 | 4.2° | 0.5° |
| C12 | C13 | C9 | H15 | 175.8° | 179.9° |
| C11 | C10 | C8 | H9 | 180.0° | 179.9° |
| C11 | C10 | C8 | C9 | 3.8° | 0.3° |
| C11 | C10 | C8 | C7 | 179.0° | 180.0° |
| C10 | C11 | C12 | H13 | 176.3° | 180.0° |
| C13 | C9 | C8 | C10 | 4.2° | 0.5° |
| C13 | C9 | C8 | H15 | 180.0° | 179.6° |
| C13 | C9 | C8 | C7 | 178.5° | 179.8° |
| C9 | C13 | C12 | H13 | 176.0° | 179.8° |
| C10 | C8 | C9 | C7 | 177.3° | 179.7° |
| C10 | C8 | C7 | N | 23.9° | 90.0° |
| C10 | C8 | C7 | H7 | 144.5° | 30.0° |
| C10 | C8 | C7 | H8 | 96.8° | 150.0° |
| C10 | C8 | C9 | H15 | 175.8° | 179.9° |
| SE | C4 | C5 | C3 | 179.5° | 179.9° |
| SE | C4 | C5 | C6 | 2.7° | 0.1° |
| SE | C4 | C5 | C | 179.7° | 180.0° |
| SE | C4 | C3 | C2 | 179.2° | 179.7° |
| SE | C4 | C3 | H4 | 0.8° | 0.1° |
| C9 | C8 | C7 | N | 158.9° | 90.3° |
| C9 | C8 | C7 | H7 | 38.2° | 149.7° |
| C9 | C8 | C7 | H8 | 80.5° | 29.7° |
| C9 | C8 | C10 | H9 | 176.1° | 179.8° |
| C8 | C9 | C13 | H14 | 175.9° | 179.7° |
| C8 | C7 | N | H7 | 120.6° | 120.0° |
| C8 | C7 | N | H8 | 120.7° | 120.0° |
| C8 | C7 | N | C6 | 93.0° | 180.0° |
| C8 | C7 | N | H6 | 87.0° | 0.0° |
| C8 | C7 | H7 | H8 | 118.0° | 120.0° |
| C7 | C8 | C10 | H9 | 1.0° | 0.1° |
| C7 | C8 | C9 | H15 | 1.5° | 0.2° |
| O | C6 | N | C7 | 4.2° | 0.0° |
| O | C6 | C5 | C4 | 36.8° | 0.0° |
| O | C6 | N | C5 | 177.6° | 180.0° |
| O | C6 | C5 | C | 140.4° | 180.0° |
| O | C6 | N | H6 | 175.9° | 180.0° |
| C7 | N | C6 | H6 | 180.0° | 179.9° |
| C7 | N | C6 | C5 | 173.4° | 180.0° |
| N | C7 | H7 | H8 | 118.0° | 120.1° |
| C4 | C5 | C6 | N | 145.4° | 180.0° |
| C4 | C5 | C6 | C | 177.2° | 180.0° |
| C5 | C4 | C3 | C2 | 0.2° | 0.2° |
| C4 | C5 | C | C1 | 1.0° | 0.0° |
| C4 | C5 | C | H1 | 179.0° | 179.6° |
| C5 | C4 | SE | H3 | 180.0° | 90.0° |
| C5 | C4 | C3 | H4 | 179.8° | 180.0° |
| C3 | C4 | C5 | C6 | 177.8° | 180.0° |
| C3 | C4 | C5 | C | 0.8° | 0.1° |
| C4 | C3 | C2 | H4 | 180.0° | 179.8° |
| C4 | C3 | C2 | C1 | 3.1° | 0.5° |
| C3 | C4 | SE | H3 | 0.6° | 89.9° |
| C4 | C3 | C2 | H5 | 177.0° | 180.0° |
| N | C6 | C5 | C | 37.4° | 0.0° |
| C6 | N | C7 | H7 | 146.4° | 60.0° |
| C6 | N | C7 | H8 | 27.7° | 60.0° |
| C6 | C5 | C | C1 | 176.0° | 180.0° |
| C6 | C5 | C | H1 | 4.0° | 0.3° |
| C5 | C6 | N | H6 | 6.5° | 0.0° |
| C5 | C | C1 | H1 | 180.0° | 179.7° |
| C5 | C | C1 | C2 | 3.8° | 0.3° |
| C5 | C | C1 | H2 | 176.2° | 179.7° |
| C3 | C2 | C1 | C | 4.8° | 0.5° |
| C3 | C2 | C1 | H5 | 180.0° | 179.5° |
| C3 | C2 | C1 | H2 | 175.2° | 179.5° |
| C | C1 | C2 | H2 | 180.0° | 180.0° |
| C | C1 | C2 | H5 | 175.2° | 179.9° |
| C2 | C1 | C | H1 | 176.2° | 179.9° |
| C1 | C2 | C3 | H4 | 176.9° | 179.7° |
| H1 | C | C1 | H2 | 3.8° | 0.1° |
| H2 | C1 | C2 | H5 | 4.8° | 0.1° |
| H4 | C3 | C2 | H5 | 3.0° | 0.2° |
| H6 | N | C7 | H7 | 33.6° | 120.0° |
| H6 | N | C7 | H8 | 152.3° | 119.9° |
| H10 | C14 | H11 | H12 | 120.0° | 120.0° |
| H13 | C12 | C13 | H14 | 4.0° | 0.0° |
| H14 | C13 | C9 | H15 | 4.2° | 0.1° |
